A0A077Z6E1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6E1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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	35	Very low	34.3	Very low	203 Å²	203	128 Å²	128	100%	1	64%	0.639	S	S	*	*				0	101.2	0	-160.7	176.6	-174.2	0	0	107.2
2	F	27.4	Very low	34.8	Very low	203 Å²	203	120.7 Å²	120.7	89%	0.89	61%	0.613	S	S	*	*			trans	-103.6	113.4	176.9	-84.6	-83.7	0	0	0	108.1	L4	F2-L4 PolarHBondContact O-N 3.12Å
3	T	31	Very low	35.6	Very low	102 Å²	102	114.3 Å²	114.3	63%	0.626	58%	0.581	S	S	*	*			trans	-85.2	96.5	175.7	-43.8	0	0	0	0	107.8	L5	T3-L5 PolarHBondContact O-N 3.36Å; T3-L5 VanDerWaalsContact O-N 3.07Å
4	L	32.2	Very low	36.4	Very low	129 Å²	129	109 Å²	109	68%	0.675	56%	0.56	S	S	*	*			trans	-73.8	98.2	171.8	-164.5	83.1	0	0	0	107.9	F2 L6	F2-L4 PolarHBondContact O-N 3.12Å; L4-L6 HydrophobicContact CD2-CD1 3.84Å; L4-L6 HydrophobicContact CD2-CG 3.9Å; L4-L6 HydrophobicContact CG-CG 4.41Å; L4-L6 PolarHBondContact O-N 3.28Å
5	L	30.5	Very low	36.9	Very low	146 Å²	146	106.8 Å²	106.8	76%	0.764	55%	0.545	S	S	*	.			trans	-75	77.9	173.7	-112.8	147.1	0	0	0	108.7	T3 I7	T3-L5 PolarHBondContact O-N 3.36Å; T3-L5 VanDerWaalsContact O-N 3.07Å; L5-I7 PolarHBondContact O-N 2.89Å; L5-I7 VanDerWaalsContact O-N 3.12Å
6	L	35	Very low	37.3	Very low	90 Å²	90	101.2 Å²	101.2	47%	0.471	52%	0.518	S	S	.	.			trans	-66.6	105.8	165.4	-92.3	164.3	0	0	0	107.2	L4 V8	L4-L6 HydrophobicContact CD2-CD1 3.84Å; L4-L6 HydrophobicContact CD2-CG 3.9Å; L4-L6 HydrophobicContact CG-CG 4.41Å; L4-L6 PolarHBondContact O-N 3.28Å; L6-V8 HydrophobicContact CB-CG2 3.76Å; L6-V8 HydrophobicContact CD2-CG2 3.95Å; L6-V8 HydrophobicContact CG-CG2 4.31Å; L6-V8 PolarHBondContact O-N 3.49Å
7	I	30.4	Very low	37.5	Very low	154 Å²	154	100.8 Å²	100.8	79%	0.79	51%	0.51	S	S	*	.			trans	-71.7	67.8	167.2	-54.1	176.3	0	0	0	106.8	L5	L5-I7 PolarHBondContact O-N 2.89Å; L5-I7 VanDerWaalsContact O-N 3.12Å
8	V	35.5	Very low	37.7	Very low	49 Å²	49	97.6 Å²	97.6	30%	0.297	50%	0.496	S	S	.	.			trans	-92.2	106.8	175.7	168.7	0	0	0	0	105.9	L6	L6-V8 HydrophobicContact CB-CG2 3.76Å; L6-V8 HydrophobicContact CD2-CG2 3.95Å; L6-V8 HydrophobicContact CG-CG2 4.31Å; L6-V8 PolarHBondContact O-N 3.49Å
9	A	42.8	Very low	37.8	Very low	46 Å²	46	100.5 Å²	100.5	38%	0.38	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	161.3	-173.4	0	0	0	0	0	112.7	I11	A9-I11 HydrophobicContact CB-CB 4.33Å; A9-I11 HydrophobicContact CB-CG1 4.33Å; A9-I11 PolarHBondContact O-N 3.3Å
10	R	38.1	Very low	38	Very low	245 Å²	245	101.3 Å²	101.3	93%	0.925	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	32.6	166.2	-71.8	-174.7	173.6	-179	-0.3	112.1
11	I	39.5	Very low	38.7	Very low	41 Å²	41	104.5 Å²	104.5	21%	0.21	53%	0.529	C	S	.	.	S	Bend	trans	-121.8	105.4	177.4	-56.4	175.7	0	0	0	105.3	A9 L13 A34 V154 Q155	A9-I11 HydrophobicContact CB-CB 4.33Å; A9-I11 HydrophobicContact CB-CG1 4.33Å; A9-I11 PolarHBondContact O-N 3.3Å; I11-L13 PolarHBondContact O-N 3.17Å; I11-A34 HydrophobicContact CG2-CB 4.42Å; I11-V154 HydrophobicContact CD1-CG1 4.1Å; I11-Q155 HydrophobicContact CD1-CG 4.45Å
12	A	40.2	Very low	39.5	Very low	40 Å²	40	98.6 Å²	98.6	33%	0.331	52%	0.521	S	S	.	.			trans	-62.3	102.3	-178.3	0	0	0	0	0	109.3	S31 K33 A34	A12-S31 WeakPolarHBondContact O-CB 3.19Å; A12-S31 PolarHBondContact O-OG 3.14Å; A12-K33 HydrophobicContact CB-CB 4.02Å; A12-A34 HydrophobicContact CB-CB 4.33Å; A12-A34 WeakPolarHBondContact O-CB 3.21Å
13	L	45.3	Very low	40.2	Very low	38 Å²	38	96.8 Å²	96.8	20%	0.199	51%	0.508	C	S	.	.			trans	-98.6	129	164.2	-73.7	163	0	0	0	107.2	I11 F15 Y139 M143	I11-L13 PolarHBondContact O-N 3.17Å; L13-F15 HydrophobicContact CB-CD2 4.39Å; L13-F15 HydrophobicContact CB-CE2 3.7Å; L13-F15 HydrophobicContact CB-CZ 4.14Å; L13-F15 HydrophobicContact CD1-CE2 4.47Å; L13-F15 HydrophobicContact CD1-CZ 4.29Å; L13-Y139 WeakPolarHBondContact CD2-OH 3.48Å; L13-M143 HydrophobicContact CD2-CE 3.77Å; L13-M143 HydrophobicContact CD2-SD 4.27Å
14	S	46.7	Very low	40.9	Very low	40 Å²	40	98.8 Å²	98.8	28%	0.28	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.2	170.6	44.4	0	0	0	0	108.9	E29	S14-E29 PolarHBondContact OG-O 2.96Å
15	F	43.7	Very low	41.4	Very low	76 Å²	76	95.9 Å²	95.9	33%	0.333	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.6	170.4	-62.2	-86.9	0	0	0	108.1	L13 L28	L13-F15 HydrophobicContact CB-CD2 4.39Å; L13-F15 HydrophobicContact CB-CE2 3.7Å; L13-F15 HydrophobicContact CB-CZ 4.14Å; L13-F15 HydrophobicContact CD1-CE2 4.47Å; L13-F15 HydrophobicContact CD1-CZ 4.29Å; F15-L28 HydrophobicContact CD1-CG 4.36Å; F15-L28 HydrophobicContact CE1-CD2 4.14Å; F15-L28 HydrophobicContact CE1-CG 4.23Å
16	S	43.2	Very low	42.2	Very low	17 Å²	17	94 Å²	94	12%	0.119	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.3	167.4	71.5	0	0	0	0	108.6	K27 E29	S16-K27 PolarHBondContact N-O 3.34Å; S16-K27 PolarHBondContact O-N 3.44Å; S16-K27 VanDerWaalsContact O-N 3.12Å; S16-K27 WeakPolarHBondContact OG-CB 3.49Å; S16-E29 PolarHBondContact OG-OE1 3.38Å
17	Y	40.7	Very low	42.9	Very low	95 Å²	95	95.2 Å²	95.2	37%	0.373	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.2	174.1	-151.2	-82.8	0	0	0	107.5	F19 K24 I26	Y17-F19 AromaticContact CD1-CD2 3.89Å; Y17-F19 HydrophobicContact CD1-CD2 3.89Å; Y17-F19 HydrophobicContact CD1-CE1 4.23Å; Y17-F19 AromaticContact CD1-CE2 3.51Å; Y17-F19 HydrophobicContact CD1-CE2 3.51Å; Y17-F19 HydrophobicContact CD1-CG 4.38Å; Y17-F19 AromaticContact CD1-CZ 3.71Å; Y17-F19 HydrophobicContact CD1-CZ 3.71Å; Y17-F19 HydrophobicContact CE1-CD1 4.07Å; Y17-F19 HydrophobicContact CE1-CD2 4.22Å; Y17-F19 AromaticContact CE1-CE1 3.61Å; Y17-F19 HydrophobicContact CE1-CE1 3.61Å; Y17-F19 AromaticContact CE1-CE2 3.77Å; Y17-F19 HydrophobicContact CE1-CE2 3.77Å; Y17-F19 HydrophobicContact CE1-CG 4.36Å; Y17-F19 AromaticContact CE1-CZ 3.44Å; Y17-F19 HydrophobicContact CE1-CZ 3.44Å; Y17-F19 VanDerWaalsContact CE1-CZ 3.44Å; Y17-K24 WeakPolarHBondContact OH-CB 3.34Å; Y17-I26 HydrophobicContact CD2-CG1 3.83Å; Y17-I26 HydrophobicContact CE2-CD1 4.06Å; Y17-I26 HydrophobicContact CE2-CG1 3.44Å; Y17-I26 VanDerWaalsContact CE2-CG1 3.44Å
18	T	41.3	Very low	43.8	Very low	43 Å²	43	91.3 Å²	91.3	26%	0.264	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.3	175.8	36.9	0	0	0	0	108.8
19	F	40.8	Very low	45	Very low	153 Å²	153	93.6 Å²	93.6	67%	0.671	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	98.4	169.5	-66.5	-88.9	0	0	0	106.5	Y17	Y17-F19 AromaticContact CD1-CD2 3.89Å; Y17-F19 HydrophobicContact CD1-CD2 3.89Å; Y17-F19 HydrophobicContact CD1-CE1 4.23Å; Y17-F19 AromaticContact CD1-CE2 3.51Å; Y17-F19 HydrophobicContact CD1-CE2 3.51Å; Y17-F19 HydrophobicContact CD1-CG 4.38Å; Y17-F19 AromaticContact CD1-CZ 3.71Å; Y17-F19 HydrophobicContact CD1-CZ 3.71Å; Y17-F19 HydrophobicContact CE1-CD1 4.07Å; Y17-F19 HydrophobicContact CE1-CD2 4.22Å; Y17-F19 AromaticContact CE1-CE1 3.61Å; Y17-F19 HydrophobicContact CE1-CE1 3.61Å; Y17-F19 AromaticContact CE1-CE2 3.77Å; Y17-F19 HydrophobicContact CE1-CE2 3.77Å; Y17-F19 HydrophobicContact CE1-CG 4.36Å; Y17-F19 AromaticContact CE1-CZ 3.44Å; Y17-F19 HydrophobicContact CE1-CZ 3.44Å; Y17-F19 VanDerWaalsContact CE1-CZ 3.44Å
20	D	41.8	Very low	45.8	Very low	115 Å²	115	94 Å²	94	62%	0.615	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.2	166.9	-91.2	-25.8	0	0	0	108.3	G22 R23	D20-G22 VanDerWaalsContact C-N 3.35Å; D20-G22 PolarHBondContact O-N 3.35Å; D20-R23 PolarHBondContact O-N 2.85Å
21	D	52.7	Low	47.3	Very low	169 Å²	169	83 Å²	83	90%	0.904	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.5	54.6	166.4	-70.7	-16.7	0	0	0	116.1	R23	D21-R23 VanDerWaalsContact C-N 3.27Å; D21-R23 PolarHBondContact O-N 3.05Å
22	G	51.3	Low	48.9	Very low	80 Å²	80	87.9 Å²	87.9	83%	0.825	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-8.3	172.3	0	0	0	0	0	115.4	D20	D20-G22 VanDerWaalsContact C-N 3.35Å; D20-G22 PolarHBondContact O-N 3.35Å
23	R	41.9	Very low	50.5	Low	164 Å²	164	93.8 Å²	93.8	62%	0.619	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.8	173.5	-63.8	-162.9	179.5	166.3	0.5	110.9	D20 D21 T25 D216	D20-R23 PolarHBondContact O-N 2.85Å; D21-R23 VanDerWaalsContact C-N 3.27Å; D21-R23 PolarHBondContact O-N 3.05Å; R23-T25 PolarHBondContact O-N 2.96Å; R23-D216 WeakPolarHBondContact CG-OD2 3.08Å; R23-D216 IonicContact NE-OD1 3.93Å
24	K	45.9	Very low	51.5	Low	144 Å²	144	92.1 Å²	92.1	63%	0.626	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	84.3	176.4	-72.9	-179.2	-178.4	-177.9	0	109.4	Y17	Y17-K24 WeakPolarHBondContact OH-CB 3.34Å
25	T	43	Very low	52.6	Low	69 Å²	69	91.1 Å²	91.1	42%	0.423	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.2	175.8	10.4	0	0	0	0	111.1	R23	R23-T25 PolarHBondContact O-N 2.96Å
26	I	46.4	Very low	54	Low	107 Å²	107	93.9 Å²	93.9	55%	0.549	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.9	165	-61.4	172.8	0	0	0	107	Y17 L28	Y17-I26 HydrophobicContact CD2-CG1 3.83Å; Y17-I26 HydrophobicContact CE2-CD1 4.06Å; Y17-I26 HydrophobicContact CE2-CG1 3.44Å; Y17-I26 VanDerWaalsContact CE2-CG1 3.44Å; I26-L28 HydrophobicContact CG2-CD1 4.37Å
27	K	49.4	Very low	55.1	Low	114 Å²	114	99.1 Å²	99.1	50%	0.496	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.6	171.2	-72.6	-177.8	-177.2	174	0	108.2	S16	S16-K27 PolarHBondContact N-O 3.34Å; S16-K27 PolarHBondContact O-N 3.44Å; S16-K27 VanDerWaalsContact O-N 3.12Å; S16-K27 WeakPolarHBondContact OG-CB 3.49Å
28	L	50	Low	56.3	Low	73 Å²	73	95 Å²	95	38%	0.382	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.1	167.2	-100.3	119	0	0	0	108.1	F15 I26 M143	F15-L28 HydrophobicContact CD1-CG 4.36Å; F15-L28 HydrophobicContact CE1-CD2 4.14Å; F15-L28 HydrophobicContact CE1-CG 4.23Å; I26-L28 HydrophobicContact CG2-CD1 4.37Å; L28-M143 HydrophobicContact CD2-CE 3.36Å
29	E	59.4	Low	57.7	Low	97 Å²	97	96.8 Å²	96.8	45%	0.453	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.3	177	-73.2	173.5	-158.4	0	0	109.4	S14 S16 S31	S14-E29 PolarHBondContact OG-O 2.96Å; S16-E29 PolarHBondContact OG-OE1 3.38Å; E29-S31 PolarHBondContact O-N 3.33Å
30	T	59.3	Low	59	Low	55 Å²	55	98 Å²	98	34%	0.337	48%	0.482	S	S	.	.			trans	-59.9	121	172.1	52.9	0	0	0	0	109.3	E32 Y139 E140	T30-E32 PolarHBondContact O-N 2.81Å; T30-Y139 HydrophobicContact CG2-CD1 4Å; T30-Y139 HydrophobicContact CG2-CE1 3.88Å; T30-E140 HydrophobicContact CG2-CG 3.85Å
31	S	69.9	Low	60.1	Low	13 Å²	13	96.1 Å²	96.1	9%	0.091	47%	0.472	C	S	.	.			trans	-77.9	116.4	177.5	-171	0	0	0	0	110.8	A12 E29 K33 A34 I35	A12-S31 WeakPolarHBondContact O-CB 3.19Å; A12-S31 PolarHBondContact O-OG 3.14Å; E29-S31 PolarHBondContact O-N 3.33Å; S31-K33 PolarHBondContact O-N 2.71Å; S31-K33 VanDerWaalsContact O-N 3.13Å; S31-A34 PolarHBondContact O-N 2.71Å; S31-I35 PolarHBondContact O-N 3.02Å
32	E	74.8	Confident	60.9	Low	144 Å²	144	88.8 Å²	88.8	67%	0.673	43%	0.432	S	S	*	.	H	α-helix	trans	-55.1	-31.9	173	-66.7	-171.4	170.9	0	0	112.5	T30 I35 K36	T30-E32 PolarHBondContact O-N 2.81Å; E32-I35 PolarHBondContact O-N 3.43Å; E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 WeakPolarHBondContact O-CG 3.47Å; E32-K36 PolarHBondContact O-N 2.02Å
33	K	72.1	Confident	61.5	Low	163 Å²	163	85.8 Å²	85.8	71%	0.709	40%	0.4	S	S	*	.	H	α-helix	trans	-66.3	-40.2	177.9	-70.5	-176.1	179.6	178.8	0	112	A12 S31 Y37	A12-K33 HydrophobicContact CB-CB 4.02Å; S31-K33 PolarHBondContact O-N 2.71Å; S31-K33 VanDerWaalsContact O-N 3.13Å; K33-Y37 WeakPolarHBondContact O-CB 3.46Å; K33-Y37 PolarHBondContact O-N 3.36Å
34	A	66.9	Low	63	Low	4 Å²	4	78.2 Å²	78.2	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-68.6	-40.8	177.3	0	0	0	0	0	111.5	I11 A12 S31 Y37 T38	I11-A34 HydrophobicContact CG2-CB 4.42Å; A12-A34 HydrophobicContact CB-CB 4.33Å; A12-A34 WeakPolarHBondContact O-CB 3.21Å; S31-A34 PolarHBondContact O-N 2.71Å; A34-Y37 PolarHBondContact O-N 2.97Å; A34-T38 PolarHBondContact O-N 2.91Å; A34-T38 PolarHBondContact O-OG1 3.07Å
35	I	69	Low	64.2	Low	19 Å²	19	73.2 Å²	73.2	10%	0.097	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-49.7	174.6	-64	170.5	0	0	0	109.9	S31 E32 Y37 T38 Q39 I135 K136	S31-I35 PolarHBondContact O-N 3.02Å; E32-I35 PolarHBondContact O-N 3.43Å; I35-Y37 VanDerWaalsContact C-N 3.35Å; I35-Y37 PolarHBondContact O-N 2.65Å; I35-T38 PolarHBondContact O-N 2.77Å; I35-Q39 HydrophobicContact CG2-CG 4.47Å; I35-Q39 WeakPolarHBondContact O-CG 3.47Å; I35-Q39 PolarHBondContact O-N 2.98Å; I35-I135 HydrophobicContact CG2-CG2 4.4Å; I35-K136 HydrophobicContact CD1-CB 4.41Å; I35-K136 HydrophobicContact CD1-CD 4.37Å; I35-K136 HydrophobicContact CD1-CG 4.03Å
36	K	73.3	Confident	65.8	Low	134 Å²	134	73 Å²	73	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-60	-40.7	177.2	-76.9	179.6	179.5	177.3	0	113	E32 T38 Q39 K40	E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 WeakPolarHBondContact O-CG 3.47Å; E32-K36 PolarHBondContact O-N 2.02Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-Q39 PolarHBondContact O-N 3.07Å; K36-K40 WeakPolarHBondContact O-CB 3.35Å; K36-K40 PolarHBondContact O-N 3Å
37	Y	67.4	Low	67.2	Low	126 Å²	126	69.2 Å²	69.2	49%	0.494	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.9	179.5	-101.2	0	0	0	111.6	K33 A34 I35 K40 N41	K33-Y37 WeakPolarHBondContact O-CB 3.46Å; K33-Y37 PolarHBondContact O-N 3.36Å; A34-Y37 PolarHBondContact O-N 2.97Å; I35-Y37 VanDerWaalsContact C-N 3.35Å; I35-Y37 PolarHBondContact O-N 2.65Å; Y37-K40 PolarHBondContact O-N 2.59Å; Y37-N41 VanDerWaalsContact CE1-ND2 3.32Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.45Å; Y37-N41 PolarHBondContact O-N 2.8Å; Y37-N41 PolarHBondContact O-ND2 2.85Å
38	T	65.8	Low	68.7	Low	10 Å²	10	68.8 Å²	68.8	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-65.2	-42.7	178	-48.7	0	0	0	0	111.3	A34 I35 K36 N41 L42 I135 Q155	A34-T38 PolarHBondContact O-N 2.91Å; A34-T38 PolarHBondContact O-OG1 3.07Å; I35-T38 PolarHBondContact O-N 2.77Å; K36-T38 VanDerWaalsContact C-N 3.34Å; T38-N41 PolarHBondContact O-N 3.32Å; T38-L42 PolarHBondContact O-N 3.19Å; T38-I135 HydrophobicContact CG2-CD1 4.27Å; T38-I135 HydrophobicContact CG2-CG2 3.71Å; T38-Q155 PolarHBondContact OG1-NE2 2.94Å
39	Q	70.6	Confident	70.1	Confident	79 Å²	79	70.9 Å²	70.9	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-40.2	175.3	-73.8	176.9	-35.4	0	0	112.5	I35 K36 N41 L42 K132 I135	I35-Q39 HydrophobicContact CG2-CG 4.47Å; I35-Q39 WeakPolarHBondContact O-CG 3.47Å; I35-Q39 PolarHBondContact O-N 2.98Å; K36-Q39 PolarHBondContact O-N 3.07Å; Q39-N41 VanDerWaalsContact C-N 3.25Å; Q39-N41 PolarHBondContact O-N 3.15Å; Q39-L42 WeakPolarHBondContact O-CB 3.32Å; Q39-L42 PolarHBondContact O-N 3.23Å; Q39-K132 PolarHBondContact NE2-O 3.3Å; Q39-I135 HydrophobicContact CG-CB 4.2Å; Q39-I135 HydrophobicContact CG-CG1 4.2Å; Q39-I135 HydrophobicContact CG-CG2 4.18Å
40	K	68	Low	71.2	Confident	179 Å²	179	67.5 Å²	67.5	78%	0.778	34%	0.34	S	S	*	.	H	α-helix	trans	-63.1	-32	179.7	-173.2	177.9	179.6	-179.1	0	112.8	K36 Y37 L42	K36-K40 WeakPolarHBondContact O-CB 3.35Å; K36-K40 PolarHBondContact O-N 3Å; Y37-K40 PolarHBondContact O-N 2.59Å; K40-L42 VanDerWaalsContact C-N 3.27Å
41	N	64.6	Low	72.4	Confident	76 Å²	76	74.1 Å²	74.1	41%	0.406	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9	177	-63.1	-29.5	0	0	0	112.6	Y37 T38 Q39 A43	Y37-N41 VanDerWaalsContact CE1-ND2 3.32Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.45Å; Y37-N41 PolarHBondContact O-N 2.8Å; Y37-N41 PolarHBondContact O-ND2 2.85Å; T38-N41 PolarHBondContact O-N 3.32Å; Q39-N41 VanDerWaalsContact C-N 3.25Å; Q39-N41 PolarHBondContact O-N 3.15Å; N41-A43 PolarHBondContact O-N 3.11Å
42	L	69.4	Low	73.3	Confident	14 Å²	14	77.2 Å²	77.2	7%	0.073	38%	0.383	C	S	.	.	S	Bend	trans	-82.6	102.8	176.4	-154.7	96.4	0	0	0	110.3	T38 Q39 K40 I131 K132 I135 F158	T38-L42 PolarHBondContact O-N 3.19Å; Q39-L42 WeakPolarHBondContact O-CB 3.32Å; Q39-L42 PolarHBondContact O-N 3.23Å; K40-L42 VanDerWaalsContact C-N 3.27Å; L42-I131 HydrophobicContact CD1-CG2 4.01Å; L42-I131 HydrophobicContact CD2-CB 4.32Å; L42-I131 HydrophobicContact CD2-CG2 4.05Å; L42-K132 HydrophobicContact CD2-CB 4.1Å; L42-K132 HydrophobicContact CD2-CD 4.29Å; L42-K132 HydrophobicContact CD2-CG 3.16Å; L42-K132 HydrophobicContact CG-CG 4.36Å; L42-I135 HydrophobicContact CD1-CD1 4.29Å; L42-F158 HydrophobicContact CD1-CB 3.1Å; L42-F158 HydrophobicContact CD1-CG 4.19Å
43	A	65	Low	73.9	Confident	18 Å²	18	75.9 Å²	75.9	15%	0.149	38%	0.377	C	S	.	.	S	Bend	trans	-88	162	171.7	0	0	0	0	0	111.7	N41 Y63 Q160	N41-A43 PolarHBondContact O-N 3.11Å; A43-Y63 HydrophobicContact CB-CE1 3.65Å; A43-Y63 HydrophobicContact CB-CE2 4.3Å; A43-Y63 WeakPolarHBondContact CB-OH 3.06Å; A43-Q160 WeakPolarHBondContact O-CB 3.44Å; A43-Q160 PolarHBondContact O-OE1 2.82Å
44	P	72.5	Confident	74.7	Confident	4 Å²	4	75.5 Å²	75.5	3%	0.026	38%	0.377	C	S	.	.	S	Bend	cis	-62.8	149	-6.7	23.6	-32.4	0	0	0	112.6	Y63 M104 R106 K132	P44-Y63 HydrophobicContact CB-CD1 4.02Å; P44-Y63 HydrophobicContact CB-CD2 3.48Å; P44-Y63 VanDerWaalsContact CB-CD2 3.48Å; P44-Y63 HydrophobicContact CB-CE1 4.38Å; P44-Y63 HydrophobicContact CB-CE2 3.87Å; P44-Y63 HydrophobicContact CB-CG 3.6Å; P44-Y63 HydrophobicContact CG-CD1 4.35Å; P44-Y63 HydrophobicContact CG-CG 4.17Å; P44-M104 HydrophobicContact CB-SD 4.15Å; P44-R106 HydrophobicContact CG-CG 4.35Å; P44-K132 VanDerWaalsContact O-CE 3.24Å; P44-K132 WeakPolarHBondContact O-CE 3.41Å; P44-K132 PolarHBondContact O-NZ 2.8Å
45	P	71	Confident	75.5	Confident	40 Å²	40	80.9 Å²	80.9	26%	0.26	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-60.7	157.9	164.1	29	-33.2	0	0	0	109.9	L47 V50 F59	P45-L47 PolarHBondContact O-N 3.19Å; P45-V50 HydrophobicContact CB-CG2 4.27Å; P45-V50 HydrophobicContact CG-CG2 4.05Å; P45-F59 HydrophobicContact CG-CD1 4.26Å; P45-F59 HydrophobicContact CG-CD2 3.68Å; P45-F59 HydrophobicContact CG-CE1 4.19Å; P45-F59 HydrophobicContact CG-CE2 3.64Å; P45-F59 HydrophobicContact CG-CG 3.99Å; P45-F59 HydrophobicContact CG-CZ 3.88Å
46	D	77.3	Confident	76.3	Confident	63 Å²	63	82.6 Å²	82.6	34%	0.337	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-69.1	117.9	169.6	-64.3	-29.9	0	0	0	107.3	S48 D49 K132	D46-S48 PolarHBondContact O-N 3.12Å; D46-D49 WeakPolarHBondContact O-CB 2.93Å; D46-D49 PolarHBondContact O-N 3.05Å; D46-K132 IonicContact OD1-NZ 3.61Å; D46-K132 PolarHBondContact OD1-NZ 3.08Å; D46-K132 IonicContact OD2-NZ 3.42Å
47	L	76.6	Confident	76.9	Confident	28 Å²	28	81.4 Å²	81.4	15%	0.147	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-60.6	-18.1	-174.6	-66.2	176.7	0	0	0	113	P45 D49 V50 K56 F59 E60 M104	P45-L47 PolarHBondContact O-N 3.19Å; L47-D49 PolarHBondContact O-N 2.96Å; L47-V50 PolarHBondContact O-N 3.16Å; L47-K56 HydrophobicContact CB-CG 4.24Å; L47-K56 HydrophobicContact CD1-CG 4.4Å; L47-K56 HydrophobicContact CD2-CG 3.86Å; L47-K56 HydrophobicContact CG-CG 4.38Å; L47-F59 HydrophobicContact CD2-CB 3.89Å; L47-E60 HydrophobicContact CD1-CG 3.65Å; L47-E60 HydrophobicContact CD2-CG 4.4Å; L47-M104 HydrophobicContact CD1-CE 3.24Å; L47-M104 HydrophobicContact CD1-SD 3.61Å; L47-M104 HydrophobicContact CD2-CE 4.21Å; L47-M104 HydrophobicContact CD2-SD 3.81Å; L47-M104 HydrophobicContact CG-CE 3.44Å; L47-M104 VanDerWaalsContact CG-CE 3.44Å; L47-M104 HydrophobicContact CG-SD 3.73Å
48	S	80.3	Confident	77.7	Confident	105 Å²	105	81.5 Å²	81.5	73%	0.734	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26.1	170.8	51.6	0	0	0	0	113.1	D46	D46-S48 PolarHBondContact O-N 3.12Å
49	D	79.5	Confident	78.5	Confident	118 Å²	118	82.9 Å²	82.9	63%	0.631	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-93.6	-4.4	-174.8	-56.6	-6	0	0	0	111.7	D46 L47	D46-D49 WeakPolarHBondContact O-CB 2.93Å; D46-D49 PolarHBondContact O-N 3.05Å; L47-D49 PolarHBondContact O-N 2.96Å
50	V	81.3	Confident	79.1	Confident	26 Å²	26	82.5 Å²	82.5	16%	0.158	41%	0.407	C	S	.	.			trans	-99.3	103.5	179.6	-175.2	0	0	0	0	108.5	P45 L47 F55 K56 F59	P45-V50 HydrophobicContact CB-CG2 4.27Å; P45-V50 HydrophobicContact CG-CG2 4.05Å; L47-V50 PolarHBondContact O-N 3.16Å; V50-F55 HydrophobicContact CG1-CB 3.83Å; V50-K56 HydrophobicContact CG1-CB 4.26Å; V50-F59 HydrophobicContact CG1-CD2 4.22Å; V50-F59 HydrophobicContact CG1-CE2 4.16Å; V50-F59 HydrophobicContact CG2-CD2 3.93Å; V50-F59 HydrophobicContact CG2-CE2 3.86Å
51	E	85.3	Confident	79.9	Confident	193 Å²	193	80.9 Å²	80.9	90%	0.902	40%	0.402	S	S	*	.			trans	-72.3	-30.9	-179.1	-63.4	-177.3	169.6	0	0	113.1
52	D	87.9	Confident	80.7	Confident	79 Å²	79	79 Å²	79	42%	0.422	39%	0.391	S	S	.	.			trans	-83.9	117.8	-177.2	-176.8	-49.4	0	0	0	110.8	E54 F55 K56	D52-E54 VanDerWaalsContact C-N 3.35Å; D52-E54 PolarHBondContact O-N 3.39Å; D52-E54 WeakPolarHBondContact OD1-CA 3.4Å; D52-E54 WeakPolarHBondContact OD1-CB 3.49Å; D52-E54 PolarHBondContact OD1-N 2.86Å; D52-F55 HydrophobicContact CB-CB 4.03Å; D52-F55 HydrophobicContact CB-CD2 4.15Å; D52-F55 HydrophobicContact CB-CG 4.48Å; D52-F55 PolarHBondContact O-N 3.02Å; D52-F55 PolarHBondContact OD1-N 2.98Å; D52-K56 WeakPolarHBondContact O-CB 3.38Å; D52-K56 PolarHBondContact O-N 2.7Å
53	E	88.8	Confident	81.5	Confident	116 Å²	116	79.5 Å²	79.5	54%	0.542	39%	0.392	S	S	.	.	H	α-helix	trans	-66.6	-31.5	-177.6	-71.5	-65.4	159.6	0	0	113.4	K56 Q57	E53-K56 PolarHBondContact O-N 2.97Å; E53-K56 IonicContact OE1-NZ 2.81Å; E53-K56 IonicContact OE2-NZ 2.59Å; E53-Q57 WeakPolarHBondContact O-CG 3.32Å; E53-Q57 PolarHBondContact O-N 2.78Å
54	E	88	Confident	82.5	Confident	155 Å²	155	79.4 Å²	79.4	72%	0.724	39%	0.392	S	S	*	.	H	α-helix	trans	-69.5	-41.7	176.1	-170.6	177	177.3	0	0	110	D52 K56 Q57 Y58	D52-E54 VanDerWaalsContact C-N 3.35Å; D52-E54 PolarHBondContact O-N 3.39Å; D52-E54 WeakPolarHBondContact OD1-CA 3.4Å; D52-E54 WeakPolarHBondContact OD1-CB 3.49Å; D52-E54 PolarHBondContact OD1-N 2.86Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 2.71Å; E54-Q57 PolarHBondContact O-N 2.89Å; E54-Y58 WeakPolarHBondContact O-CB 3.18Å; E54-Y58 PolarHBondContact O-N 3.17Å
55	F	84	Confident	83.2	Confident	116 Å²	116	83 Å²	83	51%	0.509	41%	0.408	S	S	.	.	H	α-helix	trans	-64.1	-37.5	171.9	-93.6	-92.8	0	0	0	112.8	V50 D52 Y58 F59	V50-F55 HydrophobicContact CG1-CB 3.83Å; D52-F55 HydrophobicContact CB-CB 4.03Å; D52-F55 HydrophobicContact CB-CD2 4.15Å; D52-F55 HydrophobicContact CB-CG 4.48Å; D52-F55 PolarHBondContact O-N 3.02Å; D52-F55 PolarHBondContact OD1-N 2.98Å; F55-Y58 WeakPolarHBondContact O-CB 3.3Å; F55-Y58 PolarHBondContact O-N 2.02Å; F55-F59 HydrophobicContact CB-CE2 4.46Å; F55-F59 HydrophobicContact CD1-CE2 4.2Å; F55-F59 HydrophobicContact CD1-CZ 4.29Å; F55-F59 WeakPolarHBondContact O-CD2 3.35Å; F55-F59 WeakPolarHBondContact O-CG 3.41Å; F55-F59 PolarHBondContact O-N 2.76Å
56	K	86.1	Confident	84.2	Confident	56 Å²	56	82 Å²	82	24%	0.243	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-46.5	176.8	-168	-178.6	173.3	-176.1	0	111.2	L47 V50 D52 E53 E54 Y58 F59 E60	L47-K56 HydrophobicContact CB-CG 4.24Å; L47-K56 HydrophobicContact CD1-CG 4.4Å; L47-K56 HydrophobicContact CD2-CG 3.86Å; L47-K56 HydrophobicContact CG-CG 4.38Å; V50-K56 HydrophobicContact CG1-CB 4.26Å; D52-K56 WeakPolarHBondContact O-CB 3.38Å; D52-K56 PolarHBondContact O-N 2.7Å; E53-K56 PolarHBondContact O-N 2.97Å; E53-K56 IonicContact OE1-NZ 2.81Å; E53-K56 IonicContact OE2-NZ 2.59Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 2.71Å; K56-Y58 VanDerWaalsContact C-N 3.33Å; K56-Y58 PolarHBondContact O-N 3.38Å; K56-F59 PolarHBondContact O-N 2.77Å; K56-E60 WeakPolarHBondContact O-CG 2.97Å; K56-E60 PolarHBondContact O-N 2.83Å
57	Q	85.1	Confident	84.7	Confident	109 Å²	109	83.4 Å²	83.4	51%	0.509	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-41.1	173.4	-72.3	177.7	13.1	0	0	112.1	E53 E54 F59 E60 H61	E53-Q57 WeakPolarHBondContact O-CG 3.32Å; E53-Q57 PolarHBondContact O-N 2.78Å; E54-Q57 PolarHBondContact O-N 2.89Å; Q57-F59 VanDerWaalsContact C-N 3.35Å; Q57-F59 PolarHBondContact O-N 2.81Å; Q57-E60 PolarHBondContact O-N 2.86Å; Q57-H61 PolarHBondContact O-N 3.14Å
58	Y	84.6	Confident	85.2	Confident	127 Å²	127	86.8 Å²	86.8	50%	0.498	42%	0.419	S	S	.	.	H	α-helix	trans	-57.2	-47.6	174.2	169.8	-97.1	0	0	0	111.5	E54 F55 K56 H61 Q62	E54-Y58 WeakPolarHBondContact O-CB 3.18Å; E54-Y58 PolarHBondContact O-N 3.17Å; F55-Y58 WeakPolarHBondContact O-CB 3.3Å; F55-Y58 PolarHBondContact O-N 2.02Å; K56-Y58 VanDerWaalsContact C-N 3.33Å; K56-Y58 PolarHBondContact O-N 3.38Å; Y58-H61 PolarHBondContact O-N 3Å; Y58-Q62 VanDerWaalsContact O-CB 3.32Å; Y58-Q62 WeakPolarHBondContact O-CB 2.97Å; Y58-Q62 PolarHBondContact O-N 2.92Å
59	F	82.7	Confident	85.4	Confident	39 Å²	39	83 Å²	83	17%	0.171	39%	0.391	C	S	.	.	H	α-helix	trans	-66.2	-43	177	-69.1	-45.4	0	0	0	112.3	P45 L47 V50 F55 K56 Q57 H61 Q62 Y63	P45-F59 HydrophobicContact CG-CD1 4.26Å; P45-F59 HydrophobicContact CG-CD2 3.68Å; P45-F59 HydrophobicContact CG-CE1 4.19Å; P45-F59 HydrophobicContact CG-CE2 3.64Å; P45-F59 HydrophobicContact CG-CG 3.99Å; P45-F59 HydrophobicContact CG-CZ 3.88Å; L47-F59 HydrophobicContact CD2-CB 3.89Å; V50-F59 HydrophobicContact CG1-CD2 4.22Å; V50-F59 HydrophobicContact CG1-CE2 4.16Å; V50-F59 HydrophobicContact CG2-CD2 3.93Å; V50-F59 HydrophobicContact CG2-CE2 3.86Å; F55-F59 HydrophobicContact CB-CE2 4.46Å; F55-F59 HydrophobicContact CD1-CE2 4.2Å; F55-F59 HydrophobicContact CD1-CZ 4.29Å; F55-F59 WeakPolarHBondContact O-CD2 3.35Å; F55-F59 WeakPolarHBondContact O-CG 3.41Å; F55-F59 PolarHBondContact O-N 2.76Å; K56-F59 PolarHBondContact O-N 2.77Å; Q57-F59 VanDerWaalsContact C-N 3.35Å; Q57-F59 PolarHBondContact O-N 2.81Å; F59-H61 VanDerWaalsContact C-N 3.29Å; F59-H61 PolarHBondContact O-N 3.43Å; F59-Q62 PolarHBondContact O-N 3.23Å; F59-Y63 HydrophobicContact CB-CD2 4.04Å; F59-Y63 HydrophobicContact CB-CE2 4.18Å; F59-Y63 HydrophobicContact CD1-CD2 4.28Å; F59-Y63 AromaticContact CD1-CE2 3.57Å; F59-Y63 HydrophobicContact CD1-CE2 3.57Å; F59-Y63 HydrophobicContact CE1-CE2 4.34Å; F59-Y63 HydrophobicContact CG-CE2 4.23Å; F59-Y63 WeakPolarHBondContact O-CB 3.43Å; F59-Y63 WeakPolarHBondContact O-CD2 3.44Å; F59-Y63 PolarHBondContact O-N 2.95Å
60	E	84.3	Confident	85.2	Confident	72 Å²	72	84.6 Å²	84.6	34%	0.336	40%	0.395	S	S	.	.	H	α-helix	trans	-54.6	-46.6	175.5	-76.2	175.6	174.4	0	0	111.5	L47 K56 Q57 A64 M104	L47-E60 HydrophobicContact CD1-CG 3.65Å; L47-E60 HydrophobicContact CD2-CG 4.4Å; K56-E60 WeakPolarHBondContact O-CG 2.97Å; K56-E60 PolarHBondContact O-N 2.83Å; Q57-E60 PolarHBondContact O-N 2.86Å; E60-A64 WeakPolarHBondContact O-CB 3.23Å; E60-A64 PolarHBondContact O-N 3.43Å; E60-M104 HydrophobicContact CG-CG 4.31Å; E60-M104 HydrophobicContact CG-SD 4.47Å
61	H	83	Confident	84.7	Confident	145 Å²	145	91.1 Å²	91.1	67%	0.671	42%	0.423	S	S	*	.	H	α-helix	trans	-66	-45.3	177.5	-72.9	-171.1	0	0	0	112.6	Q57 Y58 F59 Y63	Q57-H61 PolarHBondContact O-N 3.14Å; Y58-H61 PolarHBondContact O-N 3Å; F59-H61 VanDerWaalsContact C-N 3.29Å; F59-H61 PolarHBondContact O-N 3.43Å; H61-Y63 VanDerWaalsContact C-N 3.32Å; H61-Y63 PolarHBondContact O-N 3.33Å
62	Q	82.2	Confident	83.8	Confident	37 Å²	37	86.9 Å²	86.9	17%	0.173	40%	0.402	C	S	.	.	H	α-helix	trans	-68	-33.9	-175.5	-168.8	63.1	-2.7	0	0	112.5	Y58 F59 D162	Y58-Q62 VanDerWaalsContact O-CB 3.32Å; Y58-Q62 WeakPolarHBondContact O-CB 2.97Å; Y58-Q62 PolarHBondContact O-N 2.92Å; F59-Q62 PolarHBondContact O-N 3.23Å; Q62-D162 VanDerWaalsContact CD-OD1 3.28Å; Q62-D162 PolarHBondContact NE2-OD1 2.95Å; Q62-D162 PolarHBondContact OE1-OD1 3.42Å
63	Y	85.7	Confident	82.8	Confident	23 Å²	23	84.9 Å²	84.9	9%	0.09	40%	0.395	C	S	.	.	H	α-helix	trans	-99.1	-4.6	-178	-62.2	-70.8	0	0	0	114	A43 P44 F59 H61 Q65 K105 Q160	A43-Y63 HydrophobicContact CB-CE1 3.65Å; A43-Y63 HydrophobicContact CB-CE2 4.3Å; A43-Y63 WeakPolarHBondContact CB-OH 3.06Å; P44-Y63 HydrophobicContact CB-CD1 4.02Å; P44-Y63 HydrophobicContact CB-CD2 3.48Å; P44-Y63 VanDerWaalsContact CB-CD2 3.48Å; P44-Y63 HydrophobicContact CB-CE1 4.38Å; P44-Y63 HydrophobicContact CB-CE2 3.87Å; P44-Y63 HydrophobicContact CB-CG 3.6Å; P44-Y63 HydrophobicContact CG-CD1 4.35Å; P44-Y63 HydrophobicContact CG-CG 4.17Å; F59-Y63 HydrophobicContact CB-CD2 4.04Å; F59-Y63 HydrophobicContact CB-CE2 4.18Å; F59-Y63 HydrophobicContact CD1-CD2 4.28Å; F59-Y63 AromaticContact CD1-CE2 3.57Å; F59-Y63 HydrophobicContact CD1-CE2 3.57Å; F59-Y63 HydrophobicContact CE1-CE2 4.34Å; F59-Y63 HydrophobicContact CG-CE2 4.23Å; F59-Y63 WeakPolarHBondContact O-CB 3.43Å; F59-Y63 WeakPolarHBondContact O-CD2 3.44Å; F59-Y63 PolarHBondContact O-N 2.95Å; H61-Y63 VanDerWaalsContact C-N 3.32Å; H61-Y63 PolarHBondContact O-N 3.33Å; Y63-Q65 VanDerWaalsContact C-N 3.28Å; Y63-K105 WeakPolarHBondContact O-CB 3.44Å; Y63-K105 WeakPolarHBondContact O-CG 3.37Å; Y63-K105 PolarHBondContact O-N 3.25Å; Y63-Q160 HydrophobicContact CD1-CG 4.15Å; Y63-Q160 HydrophobicContact CE1-CB 4.23Å; Y63-Q160 HydrophobicContact CE1-CG 4.32Å; Y63-Q160 WeakPolarHBondContact CE1-O 3.17Å
64	A	87.3	Confident	81.7	Confident	17 Å²	17	85.6 Å²	85.6	14%	0.14	41%	0.409	C	S	.	.	S	Bend	trans	-77	-13.2	172.7	0	0	0	0	0	113.8	E60 K103	E60-A64 WeakPolarHBondContact O-CB 3.23Å; E60-A64 PolarHBondContact O-N 3.43Å; A64-K103 WeakPolarHBondContact CA-O 3.27Å
65	Q	87	Confident	81.2	Confident	80 Å²	80	83 Å²	83	37%	0.374	40%	0.4	S	S	.	.			trans	-62.6	138.2	-177	-60.5	-176	30.8	0	0	112.3	Y63 D162 G163	Y63-Q65 VanDerWaalsContact C-N 3.28Å; Q65-D162 PolarHBondContact NE2-OD1 2.9Å; Q65-G163 WeakPolarHBondContact O-CA 3.33Å
66	C	91.2	Very high	81.1	Confident	17 Å²	17	77.9 Å²	77.9	12%	0.115	38%	0.38	C	S	.	.			trans	-155	157.4	172.1	68.8	0	0	0	0	109.6	C92 C94 L99 K105	C66-C92 CarbonylContact C-O 3.59Å; C66-C92 WeakPolarHBondContact CA-O 3.46Å; C66-C92 HydrophobicContact CB-CB 4.15Å; C66-C92 WeakPolarHBondContact CB-O 3.23Å; C66-C94 HydrophobicContact CB-CB 3.76Å; C66-C94 WeakPolarHBondContact CB-SG 3.37Å; C66-C94 WeakPolarHBondContact SG-CB 3.38Å; C66-C94 CovalentContact SG-SG 2.02Å; C66-C94 PolarHBondContact SG-SG 2.6Å; C66-L99 WeakPolarHBondContact O-CD1 3.38Å; C66-K105 HydrophobicContact CB-CG 4.29Å
67	I	88.9	Confident	81.2	Confident	93 Å²	93	75.9 Å²	75.9	48%	0.477	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.1	-179.7	-56.5	-173.9	0	0	0	108.7	P91 C92 L93 C94	I67-P91 HydrophobicContact CD1-CB 3.58Å; I67-P91 HydrophobicContact CD1-CG 4.45Å; I67-P91 HydrophobicContact CG1-CB 4.29Å; I67-C92 PolarHBondContact N-O 2.96Å; I67-L93 HydrophobicContact CB-CD2 4.21Å; I67-L93 HydrophobicContact CG2-CD2 4.5Å; I67-L93 WeakPolarHBondContact O-CA 3.37Å; I67-C94 VanDerWaalsContact C-SG 3.53Å; I67-C94 PolarHBondContact O-N 3.21Å; I67-C94 PolarHBondContact O-SG 2.85Å; I67-C94 VanDerWaalsContact O-SG 3.36Å
68	Y	87.1	Confident	81.4	Confident	99 Å²	99	73.8 Å²	73.8	39%	0.388	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.1	171.4	-179	-119	0	0	0	110.1	E70 C94 K96 L99	Y68-E70 HydrophobicContact CD1-CG 4.34Å; Y68-E70 HydrophobicContact CE1-CG 3.39Å; Y68-E70 WeakPolarHBondContact CE1-OE1 3.31Å; Y68-E70 WeakPolarHBondContact OH-CG 3.44Å; Y68-E70 PolarHBondContact OH-OE1 3.32Å; Y68-C94 WeakPolarHBondContact CD2-O 3.31Å; Y68-K96 HydrophobicContact CE2-CB 4.03Å; Y68-L99 HydrophobicContact CG-CD2 4.44Å
69	D	84.2	Confident	81.6	Confident	26 Å²	26	70.8 Å²	70.8	14%	0.139	36%	0.357	C	S	.	.			trans	-133.9	116.5	178.9	-167	-5.3	0	0	0	110.3	E71 K78 L93 C94 W191	D69-E71 PolarHBondContact OD1-N 2.92Å; D69-K78 WeakPolarHBondContact OD2-CE 3.01Å; D69-K78 IonicContact OD2-NZ 3.85Å; D69-K78 PolarHBondContact OD2-NZ 3.14Å; D69-L93 HydrophobicContact CB-CD2 4.18Å; D69-C94 PolarHBondContact N-O 3.48Å; D69-W191 HydrophobicContact CB-CH2 4.29Å; D69-W191 HydrophobicContact CB-CZ2 4.21Å; D69-W191 WeakPolarHBondContact O-CZ2 3.32Å
70	E	74.9	Confident	82	Confident	151 Å²	151	71.3 Å²	71.3	71%	0.706	36%	0.361	S	S	*	.			trans	-80.7	-27.5	175.1	-71.4	-171.4	176.4	0	0	111.9	Y68 K72	Y68-E70 HydrophobicContact CD1-CG 4.34Å; Y68-E70 HydrophobicContact CE1-CG 3.39Å; Y68-E70 WeakPolarHBondContact CE1-OE1 3.31Å; Y68-E70 WeakPolarHBondContact OH-CG 3.44Å; Y68-E70 PolarHBondContact OH-OE1 3.32Å; E70-K72 PolarHBondContact O-N 3.46Å
71	E	71.6	Confident	82.1	Confident	163 Å²	163	74.7 Å²	74.7	76%	0.762	37%	0.371	S	S	*	.			trans	-80.2	72.4	-175.7	-66.9	-172.6	177.4	0	0	110	D69 S73 W191	D69-E71 PolarHBondContact OD1-N 2.92Å; E71-S73 PolarHBondContact O-N 3.32Å; E71-W191 WeakPolarHBondContact O-CH2 3.48Å
72	K	66.1	Low	82.2	Confident	104 Å²	104	68.3 Å²	68.3	45%	0.452	34%	0.342	S	S	.	.			trans	-60.1	113.5	167.7	-54.8	-143.4	169.6	176.2	0	108.8	E70 W191	E70-K72 PolarHBondContact O-N 3.46Å; K72-W191 HydrophobicContact CB-CH2 3.81Å; K72-W191 HydrophobicContact CB-CZ2 4.29Å; K72-W191 HydrophobicContact CB-CZ3 4.18Å; K72-W191 HydrophobicContact CD-CH2 4.21Å; K72-W191 HydrophobicContact CD-CZ2 3.82Å; K72-W191 HydrophobicContact CG-CH2 3.5Å; K72-W191 VanDerWaalsContact CG-CH2 3.5Å; K72-W191 HydrophobicContact CG-CZ2 3.48Å; K72-W191 VanDerWaalsContact CG-CZ2 3.48Å; K72-W191 HydrophobicContact CG-CZ3 4.26Å
73	S	66.5	Low	82	Confident	38 Å²	38	71.5 Å²	71.5	27%	0.266	35%	0.352	S	S	.	.			trans	-44.7	138.1	157.3	174.5	0	0	0	0	107.4	E71 D75 G76 V77	E71-S73 PolarHBondContact O-N 3.32Å; S73-D75 PolarHBondContact O-N 3.4Å; S73-G76 PolarHBondContact O-N 3.16Å; S73-V77 VanDerWaalsContact CB-O 3.3Å; S73-V77 WeakPolarHBondContact CB-O 3.28Å; S73-V77 PolarHBondContact OG-O 2.98Å
74	P	66.2	Low	81.6	Confident	130 Å²	130	71 Å²	71	84%	0.844	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-33.9	-177.4	-25.6	32.1	0	0	0	112.5
75	D	76	Confident	81	Confident	102 Å²	102	71.4 Å²	71.4	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.1	-177.9	-54.7	-28.6	0	0	0	113	S73 V77 F123	S73-D75 PolarHBondContact O-N 3.4Å; D75-V77 HydrophobicContact CB-CG2 4.19Å; D75-V77 PolarHBondContact O-N 2.7Å; D75-F123 WeakPolarHBondContact O-CE2 3.41Å; D75-F123 WeakPolarHBondContact O-CZ 3.33Å
76	G	82.8	Confident	80.6	Confident	8 Å²	8	74.6 Å²	74.6	8%	0.082	36%	0.359	C	S	.	.	S	Bend	trans	71	11.4	-174.3	0	0	0	0	0	114.3	S73 W191 A192	S73-G76 PolarHBondContact O-N 3.16Å; G76-W191 CarbonylContact O-C 3.5Å; G76-W191 VanDerWaalsContact O-CA 3.28Å; G76-W191 WeakPolarHBondContact O-CA 3.32Å; G76-A192 PolarHBondContact O-N 2.92Å
77	V	87.1	Confident	80.4	Confident	13 Å²	13	76.3 Å²	76.3	8%	0.079	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.7	-176.7	-168.7	0	0	0	0	110.9	S73 D75 W122 F123 A192 L194	S73-V77 VanDerWaalsContact CB-O 3.3Å; S73-V77 WeakPolarHBondContact CB-O 3.28Å; S73-V77 PolarHBondContact OG-O 2.98Å; D75-V77 HydrophobicContact CB-CG2 4.19Å; D75-V77 PolarHBondContact O-N 2.7Å; V77-W122 HydrophobicContact CB-CE3 4.15Å; V77-W122 HydrophobicContact CB-CZ3 4.1Å; V77-W122 HydrophobicContact CG1-CE3 3.65Å; V77-W122 HydrophobicContact CG1-CZ3 3.56Å; V77-W122 HydrophobicContact CG2-CE3 3.46Å; V77-W122 VanDerWaalsContact CG2-CE3 3.46Å; V77-W122 HydrophobicContact CG2-CZ3 3.74Å; V77-F123 HydrophobicContact CG2-CE2 3.89Å; V77-F123 HydrophobicContact CG2-CZ 3.89Å; V77-A192 CarbonylContact C-O 3.54Å; V77-A192 VanDerWaalsContact CA-O 3.31Å; V77-A192 WeakPolarHBondContact CA-O 3.26Å; V77-L194 HydrophobicContact CG1-CB 4.08Å
78	K	89.4	Confident	80.5	Confident	65 Å²	65	72.5 Å²	72.5	28%	0.283	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.3	168.4	-67	-159.9	179.8	-172.8	0	110.7	D69 L93 A192 Y193 L194	D69-K78 WeakPolarHBondContact OD2-CE 3.01Å; D69-K78 IonicContact OD2-NZ 3.85Å; D69-K78 PolarHBondContact OD2-NZ 3.14Å; K78-L93 HydrophobicContact CD-CD1 3.69Å; K78-L93 HydrophobicContact CG-CD1 4.5Å; K78-A192 PolarHBondContact N-O 3.31Å; K78-Y193 HydrophobicContact CB-CD1 3.67Å; K78-Y193 HydrophobicContact CB-CE1 3.7Å; K78-Y193 HydrophobicContact CD-CE1 3.96Å; K78-Y193 HydrophobicContact CG-CE1 4.36Å; K78-Y193 CarbonylContact O-C 3.6Å; K78-Y193 VanDerWaalsContact O-CA 3.26Å; K78-Y193 WeakPolarHBondContact O-CA 3.09Å; K78-L194 PolarHBondContact O-N 3.35Å
79	V	89.4	Confident	80.8	Confident	65 Å²	65	73.6 Å²	73.6	39%	0.394	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.1	177	-171	0	0	0	0	109.3	Y81 L194 I196	V79-Y81 HydrophobicContact CB-CE2 4.32Å; V79-Y81 HydrophobicContact CG1-CD2 4.08Å; V79-Y81 HydrophobicContact CG1-CE1 4.32Å; V79-Y81 HydrophobicContact CG1-CE2 3.51Å; V79-L194 CarbonylContact C-O 3.56Å; V79-L194 WeakPolarHBondContact CA-O 3.08Å; V79-L194 HydrophobicContact CG1-CD2 4.33Å; V79-L194 HydrophobicContact CG1-CG 4.4Å; V79-L194 HydrophobicContact CG2-CB 4.3Å; V79-L194 HydrophobicContact CG2-CD2 4.1Å; V79-I196 HydrophobicContact CG1-CD1 3.85Å; V79-I196 HydrophobicContact CG1-CG1 4.48Å
80	L	90.4	Very high	81.3	Confident	50 Å²	50	72.4 Å²	72.4	26%	0.262	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.6	175.1	-67.2	175.6	0	0	0	109.1	I90 Y193 L194 L195 I196	L80-I90 HydrophobicContact CD1-CB 4.45Å; L80-I90 HydrophobicContact CD1-CG1 4.05Å; L80-I90 HydrophobicContact CD1-CG2 4.02Å; L80-Y193 HydrophobicContact CD1-CD1 3.38Å; L80-Y193 HydrophobicContact CD1-CE1 3.76Å; L80-Y193 HydrophobicContact CD1-CG 4.2Å; L80-Y193 HydrophobicContact CG-CD1 3.8Å; L80-Y193 HydrophobicContact CG-CE1 4.24Å; L80-L194 PolarHBondContact N-O 3.36Å; L80-L195 HydrophobicContact CB-CD1 3.84Å; L80-L195 HydrophobicContact CB-CG 4.44Å; L80-L195 HydrophobicContact CD1-CD1 3.8Å; L80-L195 HydrophobicContact CG-CD1 4.37Å; L80-L195 WeakPolarHBondContact O-CA 3.28Å; L80-I196 PolarHBondContact O-N 3.38Å
81	Y	87.5	Confident	82.2	Confident	142 Å²	142	66.8 Å²	66.8	56%	0.557	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.8	171.4	-63.3	-84.7	0	0	0	109.5	V79 I196 M198	V79-Y81 HydrophobicContact CB-CE2 4.32Å; V79-Y81 HydrophobicContact CG1-CD2 4.08Å; V79-Y81 HydrophobicContact CG1-CE1 4.32Å; V79-Y81 HydrophobicContact CG1-CE2 3.51Å; Y81-I196 VanDerWaalsContact CA-O 3.28Å; Y81-I196 WeakPolarHBondContact CA-O 3.02Å; Y81-I196 HydrophobicContact CD1-CB 3.83Å; Y81-I196 HydrophobicContact CD1-CG2 3.97Å; Y81-I196 HydrophobicContact CE1-CB 3.95Å; Y81-I196 HydrophobicContact CE1-CD1 3.84Å; Y81-I196 HydrophobicContact CE1-CG1 4.48Å; Y81-I196 HydrophobicContact CE1-CG2 3.95Å; Y81-M198 HydrophobicContact CG-CE 4.09Å
82	Y	84.2	Confident	83.2	Confident	12 Å²	12	59.1 Å²	59.1	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149	179.6	65.7	-86.1	0	0	0	112.4	V88 A170 G171 V174 Q175 L195 I196 A197 M198	Y82-V88 VanDerWaalsContact CB-CG2 3.42Å; Y82-V88 HydrophobicContact CD1-CG2 4.15Å; Y82-V88 HydrophobicContact CD2-CG2 3.68Å; Y82-V88 HydrophobicContact CE2-CG2 4.49Å; Y82-V88 HydrophobicContact CG-CG2 3.48Å; Y82-V88 VanDerWaalsContact CG-CG2 3.48Å; Y82-A170 HydrophobicContact CD2-CB 3.82Å; Y82-A170 HydrophobicContact CE2-CB 3.59Å; Y82-G171 WeakPolarHBondContact CE2-O 3.41Å; Y82-G171 PolarHBondContact OH-O 3.5Å; Y82-V174 HydrophobicContact CE2-CG2 4.28Å; Y82-V174 VanDerWaalsContact OH-CG2 3.29Å; Y82-V174 WeakPolarHBondContact OH-CG2 3.45Å; Y82-Q175 HydrophobicContact CE1-CG 4.44Å; Y82-Q175 VanDerWaalsContact OH-CG 3.23Å; Y82-Q175 WeakPolarHBondContact OH-CG 3.16Å; Y82-L195 HydrophobicContact CD1-CD2 4.26Å; Y82-L195 HydrophobicContact CD1-CG 4.07Å; Y82-L195 HydrophobicContact CE1-CB 4.06Å; Y82-L195 HydrophobicContact CE1-CD2 4.02Å; Y82-L195 HydrophobicContact CE1-CG 3.99Å; Y82-I196 VanDerWaalsContact CD1-O 3.29Å; Y82-I196 WeakPolarHBondContact CD1-O 3.01Å; Y82-I196 VanDerWaalsContact CE1-C 3.45Å; Y82-I196 PolarHBondContact N-O 3.24Å; Y82-A197 HydrophobicContact CE1-CB 4.19Å; Y82-A197 HydrophobicContact CE2-CB 3.84Å; Y82-A197 CarbonylContact O-C 3.53Å; Y82-A197 WeakPolarHBondContact O-CA 3.45Å; Y82-M198 PolarHBondContact O-N 3.35Å
83	W	79.6	Confident	84.4	Confident	104 Å²	104	54.6 Å²	54.6	39%	0.394	28%	0.279	S	S	.	.			trans	-78.2	133.2	170.9	-70.1	103.3	0	0	0	110.3	R86 M198 P200 W317	W83-R86 HydrophobicContact CB-CG 4Å; W83-R86 WeakPolarHBondContact O-CB 3.5Å; W83-R86 PolarHBondContact O-N 3.16Å; W83-M198 HydrophobicContact CD2-CB 4.2Å; W83-M198 HydrophobicContact CD2-SD 4.11Å; W83-M198 VanDerWaalsContact CE2-SD 3.57Å; W83-M198 HydrophobicContact CE3-CB 3.96Å; W83-M198 HydrophobicContact CH2-CB 4.37Å; W83-M198 HydrophobicContact CH2-SD 4.28Å; W83-M198 HydrophobicContact CZ2-SD 3.68Å; W83-M198 HydrophobicContact CZ3-CB 4.05Å; W83-P200 HydrophobicContact CZ3-CB 4.17Å; W83-W317 AromaticContact CE3-NE1 3.81Å
84	P	76.6	Confident	85.4	Confident	12 Å²	12	52.8 Å²	52.8	8%	0.078	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	145	175.4	-27.5	34.6	0	0	0	112.3	R86 A170 M198	P84-R86 PolarHBondContact O-N 3.18Å; P84-R86 VanDerWaalsContact O-N 3.17Å; P84-A170 CarbonylContact C-O 3.54Å; P84-A170 VanDerWaalsContact CA-O 3.31Å; P84-A170 WeakPolarHBondContact CA-O 3.44Å; P84-M198 WeakPolarHBondContact CD-O 2.96Å
85	F	73.6	Confident	86.4	Confident	26 Å²	26	47.8 Å²	47.8	11%	0.114	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	1.6	-179.9	-48.5	-67.4	0	0	0	116.6	R153 K169 A170 Y314	F85-R153 HydrophobicContact CE1-CB 3.7Å; F85-R153 HydrophobicContact CZ-CB 4.11Å; F85-K169 WeakPolarHBondContact O-CD 3.35Å; F85-A170 PolarHBondContact N-O 3.29Å; F85-Y314 HydrophobicContact CE2-CD2 4.27Å; F85-Y314 HydrophobicContact CZ-CD2 4.33Å
86	R	78.9	Confident	87	Confident	147 Å²	147	49.6 Å²	49.6	56%	0.555	24%	0.236	S	C	*	.	S	Bend	trans	-82.3	164.1	166.8	-66	-67.8	-174.4	174.9	-3.7	110.8	W83 P84 K169 A170	W83-R86 HydrophobicContact CB-CG 4Å; W83-R86 WeakPolarHBondContact O-CB 3.5Å; W83-R86 PolarHBondContact O-N 3.16Å; P84-R86 PolarHBondContact O-N 3.18Å; P84-R86 VanDerWaalsContact O-N 3.17Å; R86-K169 PolarHBondContact O-N 2.97Å; R86-A170 PolarHBondContact O-N 3.34Å; R86-A170 VanDerWaalsContact O-N 3.08Å
87	A	87.5	Confident	87.1	Confident	53 Å²	53	56.8 Å²	56.8	44%	0.438	27%	0.267	S	S	.	.			trans	-74.9	138.8	165.1	0	0	0	0	0	108.7	I167 Y168	A87-I167 CarbonylContact C-O 3.59Å; A87-I167 VanDerWaalsContact CA-O 3.29Å; A87-I167 WeakPolarHBondContact CA-O 3.05Å; A87-Y168 HydrophobicContact CB-CD1 4.1Å
88	V	90.8	Very high	87	Confident	12 Å²	12	56.5 Å²	56.5	7%	0.073	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.4	172.1	-173.6	0	0	0	0	107.9	Y82 I90 V166 I167 A170 L195	Y82-V88 VanDerWaalsContact CB-CG2 3.42Å; Y82-V88 HydrophobicContact CD1-CG2 4.15Å; Y82-V88 HydrophobicContact CD2-CG2 3.68Å; Y82-V88 HydrophobicContact CE2-CG2 4.49Å; Y82-V88 HydrophobicContact CG-CG2 3.48Å; Y82-V88 VanDerWaalsContact CG-CG2 3.48Å; V88-I90 HydrophobicContact CG1-CD1 4.49Å; V88-I90 HydrophobicContact CG1-CG1 4.03Å; V88-V166 CarbonylContact O-C 3.59Å; V88-V166 WeakPolarHBondContact O-CA 3.5Å; V88-I167 HydrophobicContact CB-CB 4.39Å; V88-I167 PolarHBondContact N-O 3.22Å; V88-I167 PolarHBondContact O-N 3.38Å; V88-A170 HydrophobicContact CG2-CB 3.59Å; V88-L195 HydrophobicContact CG1-CD2 4.08Å; V88-L195 HydrophobicContact CG1-CG 4.49Å
89	E	93.8	Very high	86.9	Confident	123 Å²	123	56.8 Å²	56.8	58%	0.575	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.7	179	-62	-178.2	-177.9	0	0	109	L165 V166	E89-L165 CarbonylContact C-O 3.59Å; E89-L165 WeakPolarHBondContact CA-O 3.34Å; E89-V166 HydrophobicContact CG-CG1 4.33Å; E89-V166 HydrophobicContact CG-CG2 4.24Å
90	I	94.7	Very high	86.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.8	-174.5	-48	169.4	0	0	0	107.7	L80 V88 W107 L164 L165 I167 Y178 Y193 L195	L80-I90 HydrophobicContact CD1-CB 4.45Å; L80-I90 HydrophobicContact CD1-CG1 4.05Å; L80-I90 HydrophobicContact CD1-CG2 4.02Å; V88-I90 HydrophobicContact CG1-CD1 4.49Å; V88-I90 HydrophobicContact CG1-CG1 4.03Å; I90-W107 HydrophobicContact CB-CH2 4.1Å; I90-W107 HydrophobicContact CB-CZ3 4.5Å; I90-W107 HydrophobicContact CG2-CH2 3.56Å; I90-W107 HydrophobicContact CG2-CZ2 4.49Å; I90-W107 HydrophobicContact CG2-CZ3 3.82Å; I90-W107 WeakPolarHBondContact O-CH2 3.28Å; I90-W107 WeakPolarHBondContact O-CZ2 3.46Å; I90-L164 WeakPolarHBondContact O-CA 3.47Å; I90-L165 HydrophobicContact CB-CB 4.28Å; I90-L165 HydrophobicContact CD1-CD2 4Å; I90-L165 HydrophobicContact CD1-CG 4.43Å; I90-L165 PolarHBondContact N-O 3.41Å; I90-L165 PolarHBondContact O-N 2.99Å; I90-I167 HydrophobicContact CD1-CD1 3.97Å; I90-Y178 HydrophobicContact CD1-CG 4.4Å; I90-Y193 HydrophobicContact CG2-CD1 3.85Å; I90-Y193 HydrophobicContact CG2-CD2 3.35Å; I90-Y193 HydrophobicContact CG2-CE1 4.03Å; I90-Y193 HydrophobicContact CG2-CE2 3.56Å; I90-Y193 HydrophobicContact CG2-CG 3.47Å; I90-Y193 VanDerWaalsContact CG2-CG 3.47Å; I90-L195 HydrophobicContact CD1-CD1 3.44Å; I90-L195 VanDerWaalsContact CD1-CD1 3.44Å; I90-L195 HydrophobicContact CD1-CD2 3.73Å; I90-L195 HydrophobicContact CD1-CG 4.24Å; I90-L195 HydrophobicContact CG1-CD1 4Å
91	P	92.9	Very high	86.7	Confident	33 Å²	33	59.7 Å²	59.7	21%	0.214	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.8	179.9	23.3	-24	0	0	0	111.8	I67 L93 L164 Y193	I67-P91 HydrophobicContact CD1-CB 3.58Å; I67-P91 HydrophobicContact CD1-CG 4.45Å; I67-P91 HydrophobicContact CG1-CB 4.29Å; P91-L93 PolarHBondContact O-N 3.32Å; P91-L164 HydrophobicContact CB-CD2 3.8Å; P91-Y193 WeakPolarHBondContact CG-OH 3.39Å; P91-Y193 WeakPolarHBondContact O-CE2 3.33Å; P91-Y193 VanDerWaalsContact O-CZ 3.28Å; P91-Y193 PolarHBondContact O-OH 2.85Å
92	C	93.2	Very high	86.6	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.02	28%	0.281	C	S	.	.			trans	-68.2	111.7	172.7	178.8	0	0	0	0	109.3	C66 I67 W107 G163 C180	C66-C92 CarbonylContact C-O 3.59Å; C66-C92 WeakPolarHBondContact CA-O 3.46Å; C66-C92 HydrophobicContact CB-CB 4.15Å; C66-C92 WeakPolarHBondContact CB-O 3.23Å; I67-C92 PolarHBondContact N-O 2.96Å; C92-W107 HydrophobicContact CB-CH2 4.37Å; C92-W107 HydrophobicContact CB-CZ2 3.74Å; C92-G163 WeakPolarHBondContact CB-O 3.39Å; C92-G163 PolarHBondContact N-O 3.28Å; C92-C180 HydrophobicContact CB-CB 3.7Å; C92-C180 WeakPolarHBondContact CB-SG 3.29Å; C92-C180 WeakPolarHBondContact SG-CB 3.41Å; C92-C180 CovalentContact SG-SG 2.02Å; C92-C180 PolarHBondContact SG-SG 2.54Å
93	L	91.2	Very high	86.8	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.6	176.1	-57.1	-179.3	0	0	0	111.1	I67 D69 K78 P91 W191 Y193	I67-L93 HydrophobicContact CB-CD2 4.21Å; I67-L93 HydrophobicContact CG2-CD2 4.5Å; I67-L93 WeakPolarHBondContact O-CA 3.37Å; D69-L93 HydrophobicContact CB-CD2 4.18Å; K78-L93 HydrophobicContact CD-CD1 3.69Å; K78-L93 HydrophobicContact CG-CD1 4.5Å; P91-L93 PolarHBondContact O-N 3.32Å; L93-W191 HydrophobicContact CB-CB 4.43Å; L93-W191 HydrophobicContact CB-CD2 4.36Å; L93-W191 HydrophobicContact CB-CG 4.08Å; L93-W191 HydrophobicContact CD1-CD2 4.38Å; L93-W191 HydrophobicContact CD1-CE3 4.28Å; L93-W191 HydrophobicContact CD1-CZ3 4.46Å; L93-Y193 HydrophobicContact CD1-CE2 4.3Å; L93-Y193 WeakPolarHBondContact CD1-OH 3.1Å; L93-Y193 HydrophobicContact CG-CE2 4.17Å; L93-Y193 WeakPolarHBondContact CG-OH 3.2Å
94	C	88.3	Confident	87.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.5	-178.5	49.4	0	0	0	0	112.1	C66 I67 Y68 D69 R98	C66-C94 HydrophobicContact CB-CB 3.76Å; C66-C94 WeakPolarHBondContact CB-SG 3.37Å; C66-C94 WeakPolarHBondContact SG-CB 3.38Å; C66-C94 CovalentContact SG-SG 2.02Å; C66-C94 PolarHBondContact SG-SG 2.6Å; I67-C94 VanDerWaalsContact C-SG 3.53Å; I67-C94 PolarHBondContact O-N 3.21Å; I67-C94 PolarHBondContact O-SG 2.85Å; I67-C94 VanDerWaalsContact O-SG 3.36Å; Y68-C94 WeakPolarHBondContact CD2-O 3.31Å; D69-C94 PolarHBondContact N-O 3.48Å; C94-R98 HydrophobicContact CB-CB 3.51Å
95	D	87.7	Confident	88	Confident	24 Å²	24	53.9 Å²	53.9	13%	0.128	28%	0.276	C	S	.	.			trans	-82	178.7	163.3	62.9	2.8	0	0	0	110.4	E97 R98 L99 Q190	D95-E97 VanDerWaalsContact C-N 3.25Å; D95-E97 PolarHBondContact O-N 2.77Å; D95-E97 PolarHBondContact OD1-N 2.79Å; D95-R98 PolarHBondContact O-N 2.81Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.07Å; D95-R98 PolarHBondContact OD1-N 3.38Å; D95-R98 IonicContact OD1-NE 2.8Å; D95-L99 WeakPolarHBondContact O-CB 3.49Å; D95-L99 PolarHBondContact O-N 3.21Å; D95-Q190 PolarHBondContact OD2-NE2 3.17Å; D95-Q190 PolarHBondContact OD2-OE1 2.77Å; D95-Q190 VanDerWaalsContact OD2-OE1 3.12Å
96	K	86.7	Confident	88.9	Confident	141 Å²	141	55.7 Å²	55.7	61%	0.613	28%	0.282	S	S	*	.	H	α-helix	trans	-60.6	-36	-177.4	-172.4	175.1	-179	176.5	0	112.4	Y68 L100	Y68-K96 HydrophobicContact CE2-CB 4.03Å; K96-L100 HydrophobicContact CG-CD1 4.15Å; K96-L100 WeakPolarHBondContact O-CG 3.18Å; K96-L100 PolarHBondContact O-N 2.78Å
97	E	85.9	Confident	89.6	Confident	158 Å²	158	48.9 Å²	48.9	74%	0.738	26%	0.257	S	S	*	.	H	α-helix	trans	-67.9	-45.3	179.2	-64.3	-175.5	178.9	0	0	111.3	D95 L99 L100 N101	D95-E97 VanDerWaalsContact C-N 3.25Å; D95-E97 PolarHBondContact O-N 2.77Å; D95-E97 PolarHBondContact OD1-N 2.79Å; E97-L99 VanDerWaalsContact C-N 3.35Å; E97-L100 PolarHBondContact O-N 2.96Å; E97-N101 WeakPolarHBondContact O-CB 3.42Å; E97-N101 PolarHBondContact O-N 2.98Å; E97-N101 VanDerWaalsContact O-N 3.17Å
98	R	85.9	Confident	89.9	Confident	7 Å²	7	46.8 Å²	46.8	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-31.3	177.5	-75.4	176.7	-155.2	-138.4	-8.4	113.8	C94 D95 L100 N101 K105 T185 N188	C94-R98 HydrophobicContact CB-CB 3.51Å; D95-R98 PolarHBondContact O-N 2.81Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.07Å; D95-R98 PolarHBondContact OD1-N 3.38Å; D95-R98 IonicContact OD1-NE 2.8Å; R98-L100 VanDerWaalsContact C-N 3.29Å; R98-N101 PolarHBondContact O-OD1 3Å; R98-K105 PolarHBondContact O-NZ 2.99Å; R98-T185 HydrophobicContact CG-CG2 3.76Å; R98-T185 VanDerWaalsContact CZ-CB 3.42Å; R98-T185 VanDerWaalsContact CZ-CG2 3.49Å; R98-N188 PolarHBondContact NH2-O 2.81Å
99	L	86.5	Confident	90.2	Very high	71 Å²	71	47.1 Å²	47.1	37%	0.372	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-38.5	175.4	-174	74.3	0	0	0	111.4	C66 Y68 D95 E97	C66-L99 WeakPolarHBondContact O-CD1 3.38Å; Y68-L99 HydrophobicContact CG-CD2 4.44Å; D95-L99 WeakPolarHBondContact O-CB 3.49Å; D95-L99 PolarHBondContact O-N 3.21Å; E97-L99 VanDerWaalsContact C-N 3.35Å
100	L	87.3	Confident	90.1	Very high	127 Å²	127	42.2 Å²	42.2	67%	0.665	22%	0.217	S	C	*	.	H	α-helix	trans	-96	-6.5	-172.1	-62.6	175.8	0	0	0	114	K96 E97 R98 G102	K96-L100 HydrophobicContact CG-CD1 4.15Å; K96-L100 WeakPolarHBondContact O-CG 3.18Å; K96-L100 PolarHBondContact O-N 2.78Å; E97-L100 PolarHBondContact O-N 2.96Å; R98-L100 VanDerWaalsContact C-N 3.29Å; L100-G102 VanDerWaalsContact C-N 3.28Å; L100-G102 PolarHBondContact O-N 2.82Å
101	N	87.5	Confident	89.9	Confident	49 Å²	49	44.6 Å²	44.6	26%	0.262	23%	0.233	S	C	.	.	S	Bend	trans	-76.5	-12.6	-174.9	72.6	11.4	0	0	0	114.4	E97 R98 K103 K105 D182 S184	E97-N101 WeakPolarHBondContact O-CB 3.42Å; E97-N101 PolarHBondContact O-N 2.98Å; E97-N101 VanDerWaalsContact O-N 3.17Å; R98-N101 PolarHBondContact O-OD1 3Å; N101-K103 HydrophobicContact CB-CG 4.38Å; N101-K103 PolarHBondContact O-N 2.83Å; N101-K103 PolarHBondContact OD1-N 3.22Å; N101-K105 PolarHBondContact OD1-NZ 3.49Å; N101-D182 PolarHBondContact ND2-OD2 2.87Å; N101-S184 PolarHBondContact ND2-OG 3.24Å
102	G	85.9	Confident	89.5	Confident	52 Å²	52	45.3 Å²	45.3	54%	0.536	24%	0.235	S	C	.	.			trans	63	10.8	179.9	0	0	0	0	0	114.7	L100	L100-G102 VanDerWaalsContact C-N 3.28Å; L100-G102 PolarHBondContact O-N 2.82Å
103	K	89.4	Confident	88.6	Confident	78 Å²	78	49.3 Å²	49.3	34%	0.339	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-86.7	140	-177.4	-65.7	-174.3	-179.1	-178.3	0	111	A64 N101 K105 D182 S184	A64-K103 WeakPolarHBondContact CA-O 3.27Å; N101-K103 HydrophobicContact CB-CG 4.38Å; N101-K103 PolarHBondContact O-N 2.83Å; N101-K103 PolarHBondContact OD1-N 3.22Å; K103-K105 WeakPolarHBondContact O-CD 3.15Å; K103-K105 WeakPolarHBondContact O-CE 3.47Å; K103-K105 PolarHBondContact O-N 2.91Å; K103-K105 PolarHBondContact O-NZ 3.37Å; K103-K105 VanDerWaalsContact O-NZ 3.07Å; K103-D182 HydrophobicContact CB-CB 3.95Å; K103-S184 WeakPolarHBondContact CD-OG 3.07Å; K103-S184 VanDerWaalsContact NZ-CB 3.33Å; K103-S184 PolarHBondContact NZ-OG 2.88Å; K103-S184 VanDerWaalsContact NZ-OG 3.14Å
104	M	89.4	Confident	87.3	Confident	15 Å²	15	56.8 Å²	56.8	7%	0.074	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-54.2	131.5	173.7	-70.3	-164.2	-51.5	0	0	111.9	P44 L47 E60 D182	P44-M104 HydrophobicContact CB-SD 4.15Å; L47-M104 HydrophobicContact CD1-CE 3.24Å; L47-M104 HydrophobicContact CD1-SD 3.61Å; L47-M104 HydrophobicContact CD2-CE 4.21Å; L47-M104 HydrophobicContact CD2-SD 3.81Å; L47-M104 HydrophobicContact CG-CE 3.44Å; L47-M104 VanDerWaalsContact CG-CE 3.44Å; L47-M104 HydrophobicContact CG-SD 3.73Å; E60-M104 HydrophobicContact CG-CG 4.31Å; E60-M104 HydrophobicContact CG-SD 4.47Å; M104-D182 WeakPolarHBondContact O-CB 3.44Å
105	K	91.6	Very high	86	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.013	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-88.2	140.8	174.9	-54.4	-46.9	180	-146.9	0	109.5	Y63 C66 R98 N101 K103 Q160 Y181 D182	Y63-K105 WeakPolarHBondContact O-CB 3.44Å; Y63-K105 WeakPolarHBondContact O-CG 3.37Å; Y63-K105 PolarHBondContact O-N 3.25Å; C66-K105 HydrophobicContact CB-CG 4.29Å; R98-K105 PolarHBondContact O-NZ 2.99Å; N101-K105 PolarHBondContact OD1-NZ 3.49Å; K103-K105 WeakPolarHBondContact O-CD 3.15Å; K103-K105 WeakPolarHBondContact O-CE 3.47Å; K103-K105 PolarHBondContact O-N 2.91Å; K103-K105 PolarHBondContact O-NZ 3.37Å; K103-K105 VanDerWaalsContact O-NZ 3.07Å; K105-Q160 PolarHBondContact O-NE2 3.42Å; K105-Y181 CarbonylContact C-O 3.57Å; K105-Y181 WeakPolarHBondContact CA-O 3.32Å; K105-D182 HydrophobicContact CD-CB 4.17Å; K105-D182 IonicContact NZ-OD2 2.7Å; K105-D182 PolarHBondContact NZ-OD2 3.19Å
106	R	92	Very high	84.5	Confident	64 Å²	64	64 Å²	64	24%	0.242	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.4	176.4	-59.6	-175.6	-166.6	-173.9	5.9	109	P44 C180 Y181 E183	P44-R106 HydrophobicContact CG-CG 4.35Å; R106-C180 WeakPolarHBondContact O-CA 3.31Å; R106-Y181 HydrophobicContact CB-CD1 4.18Å; R106-Y181 HydrophobicContact CB-CE1 3.66Å; R106-Y181 PolarHBondContact N-O 2.87Å; R106-Y181 VanDerWaalsContact O-CD1 3.27Å; R106-Y181 WeakPolarHBondContact O-CD1 3.09Å; R106-Y181 PolarHBondContact O-N 3.38Å; R106-E183 IonicContact NH2-OE1 3.86Å
107	W	93.9	Very high	83.6	Confident	5 Å²	5	64.9 Å²	64.9	2%	0.019	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.8	179.1	-71.4	93.4	0	0	0	111.3	I90 C92 I131 L165 C180 Y193	I90-W107 HydrophobicContact CB-CH2 4.1Å; I90-W107 HydrophobicContact CB-CZ3 4.5Å; I90-W107 HydrophobicContact CG2-CH2 3.56Å; I90-W107 HydrophobicContact CG2-CZ2 4.49Å; I90-W107 HydrophobicContact CG2-CZ3 3.82Å; I90-W107 WeakPolarHBondContact O-CH2 3.28Å; I90-W107 WeakPolarHBondContact O-CZ2 3.46Å; C92-W107 HydrophobicContact CB-CH2 4.37Å; C92-W107 HydrophobicContact CB-CZ2 3.74Å; W107-I131 HydrophobicContact CB-CD1 3.45Å; W107-I131 VanDerWaalsContact CB-CD1 3.45Å; W107-I131 HydrophobicContact CB-CG1 4.13Å; W107-I131 HydrophobicContact CG-CD1 4.46Å; W107-I131 PolarHBondContact O-N 2.79Å; W107-L165 HydrophobicContact CB-CD2 4.09Å; W107-L165 HydrophobicContact CD2-CB 3.67Å; W107-L165 HydrophobicContact CD2-CD2 3.84Å; W107-L165 HydrophobicContact CD2-CG 4.35Å; W107-L165 VanDerWaalsContact CE2-CB 3.43Å; W107-L165 HydrophobicContact CE3-CB 4.31Å; W107-L165 HydrophobicContact CE3-CD2 3.95Å; W107-L165 HydrophobicContact CG-CB 3.87Å; W107-L165 HydrophobicContact CG-CD1 4.38Å; W107-L165 HydrophobicContact CG-CD2 3.9Å; W107-L165 HydrophobicContact CG-CG 4.29Å; W107-L165 HydrophobicContact CH2-CB 4.47Å; W107-L165 HydrophobicContact CZ2-CB 3.86Å; W107-C180 HydrophobicContact CD2-CB 4.15Å; W107-C180 HydrophobicContact CE3-CB 4.04Å; W107-C180 HydrophobicContact CH2-CB 3.89Å; W107-C180 HydrophobicContact CZ2-CB 3.99Å; W107-C180 HydrophobicContact CZ3-CB 3.91Å; W107-Y193 HydrophobicContact CH2-CD2 4.23Å; W107-Y193 HydrophobicContact CH2-CE2 4.13Å; W107-Y193 HydrophobicContact CZ3-CD2 4.1Å; W107-Y193 HydrophobicContact CZ3-CE2 4.44Å
108	R	94.5	Very high	83	Confident	9 Å²	9	60.8 Å²	60.8	3%	0.034	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.6	173.3	60.3	-176.7	-179.3	-176.4	-25.2	110.7	Y128 K129 Y178 N179 Y181 Q186 I189	R108-Y128 HydrophobicContact CB-CD1 4.31Å; R108-Y128 VanDerWaalsContact CD-CB 3.5Å; R108-Y128 HydrophobicContact CG-CD1 3.73Å; R108-Y128 HydrophobicContact CG-CG 4.02Å; R108-K129 CarbonylContact C-O 3.55Å; R108-K129 WeakPolarHBondContact CA-O 3.32Å; R108-K129 VanDerWaalsContact CB-O 3.26Å; R108-K129 WeakPolarHBondContact CB-O 3.44Å; R108-Y178 WeakPolarHBondContact O-CA 3.3Å; R108-N179 HydrophobicContact CG-CB 4.14Å; R108-N179 WeakPolarHBondContact CG-O 3.44Å; R108-N179 VanDerWaalsContact CZ-OD1 3.24Å; R108-N179 PolarHBondContact N-O 3.06Å; R108-N179 PolarHBondContact NE-OD1 2.9Å; R108-N179 PolarHBondContact NH2-OD1 2.85Å; R108-N179 PolarHBondContact O-N 3.14Å; R108-Y181 HydrophobicContact CB-CD1 4.04Å; R108-Y181 HydrophobicContact CB-CE1 3.67Å; R108-Y181 HydrophobicContact CG-CD1 3.64Å; R108-Y181 HydrophobicContact CG-CE1 3.82Å; R108-Q186 PolarHBondContact NH1-O 3.46Å; R108-Q186 PolarHBondContact NH2-O 3.32Å; R108-I189 VanDerWaalsContact NH2-CG1 3.26Å
109	Y	95.3	Very high	82.4	Confident	19 Å²	19	62 Å²	62	8%	0.075	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.5	-172.6	168.7	-96.2	0	0	0	111.2	Y128 K129 K134 F138 Q175 V177 Y178	Y109-Y128 WeakPolarHBondContact O-CA 3.45Å; Y109-K129 PolarHBondContact N-O 3.46Å; Y109-K129 PolarHBondContact O-N 3.02Å; Y109-K134 HydrophobicContact CD1-CB 4.35Å; Y109-K134 HydrophobicContact CD1-CD 4.19Å; Y109-K134 HydrophobicContact CD1-CG 3.93Å; Y109-F138 HydrophobicContact CD1-CE1 4.26Å; Y109-F138 AromaticContact CD1-CZ 3.76Å; Y109-F138 HydrophobicContact CD1-CZ 3.76Å; Y109-F138 HydrophobicContact CD2-CE1 4.16Å; Y109-F138 AromaticContact CD2-CZ 3.71Å; Y109-F138 HydrophobicContact CD2-CZ 3.71Å; Y109-F138 AromaticContact CE1-CE1 3.9Å; Y109-F138 HydrophobicContact CE1-CE1 3.9Å; Y109-F138 AromaticContact CE1-CZ 3.89Å; Y109-F138 HydrophobicContact CE1-CZ 3.89Å; Y109-F138 AromaticContact CE2-CE1 3.75Å; Y109-F138 HydrophobicContact CE2-CE1 3.75Å; Y109-F138 AromaticContact CE2-CZ 3.8Å; Y109-F138 HydrophobicContact CE2-CZ 3.8Å; Y109-F138 HydrophobicContact CG-CE1 4.37Å; Y109-F138 AromaticContact CG-CZ 3.65Å; Y109-F138 HydrophobicContact CG-CZ 3.65Å; Y109-F138 AromaticContact CZ-CE1 3.61Å; Y109-F138 AromaticContact CZ-CZ 3.89Å; Y109-Q175 PolarHBondContact OH-O 3.46Å; Y109-V177 CarbonylContact C-O 3.59Å; Y109-V177 WeakPolarHBondContact CA-O 3.42Å; Y109-Y178 HydrophobicContact CD2-CD1 4.23Å; Y109-Y178 HydrophobicContact CD2-CD2 4.31Å; Y109-Y178 AromaticContact CD2-CE1 3.67Å; Y109-Y178 HydrophobicContact CD2-CE1 3.67Å; Y109-Y178 AromaticContact CD2-CE2 3.76Å; Y109-Y178 HydrophobicContact CD2-CE2 3.76Å; Y109-Y178 AromaticContact CD2-CZ 3.41Å; Y109-Y178 VanDerWaalsContact CD2-CZ 3.41Å; Y109-Y178 HydrophobicContact CE2-CE2 4Å; Y109-Y178 AromaticContact CE2-CZ 3.84Å; Y109-Y178 HydrophobicContact CG-CE1 4.39Å
110	S	93	Very high	81.9	Confident	20 Å²	20	64.8 Å²	64.8	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.1	166	-162.1	0	0	0	0	109.6	A127 V177	S110-A127 WeakPolarHBondContact CB-O 3.41Å; S110-A127 PolarHBondContact OG-O 3.38Å; S110-V177 PolarHBondContact N-O 3.38Å; S110-V177 PolarHBondContact O-N 3.38Å
111	S	89.7	Confident	81.6	Confident	49 Å²	49	61.9 Å²	61.9	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.1	179.7	56.2	0	0	0	0	111.3	Q113	S111-Q113 PolarHBondContact O-N 2.98Å
112	L	83.8	Confident	81.4	Confident	49 Å²	49	61 Å²	61	26%	0.257	31%	0.311	S	S	.	.			trans	-64.5	125.4	163.8	-76.5	159.9	0	0	0	109.3	Q175 V177 L194	L112-Q175 HydrophobicContact CD1-CB 4.27Å; L112-V177 HydrophobicContact CD2-CG2 4.39Å; L112-L194 HydrophobicContact CD1-CD1 3.96Å; L112-L194 HydrophobicContact CD2-CD1 3.64Å; L112-L194 HydrophobicContact CG-CD1 4.18Å
113	Q	74.7	Confident	81.5	Confident	86 Å²	86	60.9 Å²	60.9	40%	0.402	30%	0.296	S	S	.	.			trans	-107.9	142.8	170.2	-59.3	-171.3	-11	0	0	108.2	S111 D115 K116	S111-Q113 PolarHBondContact O-N 2.98Å; Q113-D115 WeakPolarHBondContact CB-OD1 3.44Å; Q113-D115 PolarHBondContact O-N 2.92Å; Q113-K116 HydrophobicContact CB-CB 4.27Å; Q113-K116 HydrophobicContact CB-CD 3.95Å; Q113-K116 HydrophobicContact CB-CG 4.09Å; Q113-K116 HydrophobicContact CG-CD 4.36Å; Q113-K116 PolarHBondContact O-N 2.82Å
114	D	65.3	Low	81.5	Confident	167 Å²	167	62.2 Å²	62.2	89%	0.893	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.8	-172.3	-65.1	-30.7	0	0	0	113.1
115	D	59.4	Low	81.4	Confident	111 Å²	111	63.9 Å²	63.9	59%	0.594	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.8	179.4	65.4	-47	0	0	0	114.5	Q113	Q113-D115 WeakPolarHBondContact CB-OD1 3.44Å; Q113-D115 PolarHBondContact O-N 2.92Å
116	K	57.2	Low	81.3	Confident	63 Å²	63	67.6 Å²	67.6	27%	0.274	36%	0.355	S	S	.	.			trans	-131	49.2	-162.1	-60.2	-173.8	-172.7	176.7	0	115.7	Q113 D118 K121 W122	Q113-K116 HydrophobicContact CB-CB 4.27Å; Q113-K116 HydrophobicContact CB-CD 3.95Å; Q113-K116 HydrophobicContact CB-CG 4.09Å; Q113-K116 HydrophobicContact CG-CD 4.36Å; Q113-K116 PolarHBondContact O-N 2.82Å; K116-D118 PolarHBondContact O-N 2.96Å; K116-K121 HydrophobicContact CB-CD 4.4Å; K116-K121 HydrophobicContact CD-CD 3.99Å; K116-K121 HydrophobicContact CG-CD 4Å; K116-W122 PolarHBondContact O-NE1 2.92Å
117	W	66.6	Low	81.2	Confident	161 Å²	161	66.6 Å²	66.6	61%	0.61	36%	0.36	S	S	*	.			trans	-74.8	4.7	160.6	-70.3	91.3	0	0	0	113.6	S119 W122 L194 I196	W117-S119 PolarHBondContact O-N 2.84Å; W117-W122 HydrophobicContact CE3-CZ2 4.47Å; W117-L194 HydrophobicContact CE3-CD2 4.45Å; W117-L194 HydrophobicContact CZ3-CD2 3.87Å; W117-I196 HydrophobicContact CH2-CD1 3.83Å; W117-I196 HydrophobicContact CZ3-CD1 3.99Å
118	D	73.4	Confident	81.1	Confident	71 Å²	71	67.1 Å²	67.1	38%	0.38	36%	0.362	S	S	.	.			trans	-73.4	109.2	174.9	-175.6	-0.9	0	0	0	110.5	K116 L120 K121	K116-D118 PolarHBondContact O-N 2.96Å; D118-L120 PolarHBondContact O-N 2.82Å; D118-L120 PolarHBondContact OD1-N 2.77Å; D118-K121 HydrophobicContact CB-CD 4.33Å; D118-K121 HydrophobicContact CB-CG 4.38Å; D118-K121 PolarHBondContact O-N 3.02Å; D118-K121 VanDerWaalsContact O-N 3.16Å
119	S	73.4	Confident	81.1	Confident	32 Å²	32	72 Å²	72	22%	0.224	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-60.9	-26.2	-175.9	58.7	0	0	0	0	113.2	W117 K121 W122 F123	W117-S119 PolarHBondContact O-N 2.84Å; S119-K121 VanDerWaalsContact C-N 3.28Å; S119-K121 PolarHBondContact O-N 2.84Å; S119-W122 VanDerWaalsContact O-CB 3.31Å; S119-W122 WeakPolarHBondContact O-CB 3.46Å; S119-W122 PolarHBondContact O-N 2.82Å; S119-W122 VanDerWaalsContact O-N 3.11Å; S119-F123 VanDerWaalsContact O-CD2 3.23Å; S119-F123 WeakPolarHBondContact O-CD2 3.26Å; S119-F123 WeakPolarHBondContact O-CE2 3.4Å
120	L	77.2	Confident	80.9	Confident	131 Å²	131	72 Å²	72	69%	0.686	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-63	-35.7	178.5	-68.6	171.8	0	0	0	112.1	D118 W122 F123	D118-L120 PolarHBondContact O-N 2.82Å; D118-L120 PolarHBondContact OD1-N 2.77Å; L120-W122 PolarHBondContact O-N 3.47Å; L120-F123 PolarHBondContact O-N 3.12Å; L120-F123 VanDerWaalsContact O-N 3.15Å
121	K	80	Confident	80.9	Confident	66 Å²	66	71.1 Å²	71.1	29%	0.287	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-68.7	-23	178.7	-64.4	-178.3	-175.6	169.8	0	112.2	K116 D118 S119 F123 E124	K116-K121 HydrophobicContact CB-CD 4.4Å; K116-K121 HydrophobicContact CD-CD 3.99Å; K116-K121 HydrophobicContact CG-CD 4Å; D118-K121 HydrophobicContact CB-CD 4.33Å; D118-K121 HydrophobicContact CB-CG 4.38Å; D118-K121 PolarHBondContact O-N 3.02Å; D118-K121 VanDerWaalsContact O-N 3.16Å; S119-K121 VanDerWaalsContact C-N 3.28Å; S119-K121 PolarHBondContact O-N 2.84Å; K121-F123 PolarHBondContact O-N 2.8Å; K121-E124 WeakPolarHBondContact O-CB 3.09Å; K121-E124 PolarHBondContact O-N 3.2Å
122	W	84.4	Confident	80.9	Confident	29 Å²	29	70.6 Å²	70.6	11%	0.11	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-70.2	-10.4	176.3	-55.7	-16.3	0	0	0	112.5	V77 K116 W117 S119 L120 Y128 V177 L194	V77-W122 HydrophobicContact CB-CE3 4.15Å; V77-W122 HydrophobicContact CB-CZ3 4.1Å; V77-W122 HydrophobicContact CG1-CE3 3.65Å; V77-W122 HydrophobicContact CG1-CZ3 3.56Å; V77-W122 HydrophobicContact CG2-CE3 3.46Å; V77-W122 VanDerWaalsContact CG2-CE3 3.46Å; V77-W122 HydrophobicContact CG2-CZ3 3.74Å; K116-W122 PolarHBondContact O-NE1 2.92Å; W117-W122 HydrophobicContact CE3-CZ2 4.47Å; S119-W122 VanDerWaalsContact O-CB 3.31Å; S119-W122 WeakPolarHBondContact O-CB 3.46Å; S119-W122 PolarHBondContact O-N 2.82Å; S119-W122 VanDerWaalsContact O-N 3.11Å; L120-W122 PolarHBondContact O-N 3.47Å; W122-Y128 WeakPolarHBondContact O-CE2 3.12Å; W122-Y128 VanDerWaalsContact O-CZ 3.29Å; W122-Y128 PolarHBondContact O-OH 2.84Å; W122-V177 HydrophobicContact CB-CG1 4.09Å; W122-V177 HydrophobicContact CD2-CG2 4.37Å; W122-V177 HydrophobicContact CG-CG1 4.18Å; W122-V177 HydrophobicContact CG-CG2 4.07Å; W122-L194 HydrophobicContact CH2-CD2 3.63Å; W122-L194 HydrophobicContact CZ2-CD2 4.06Å; W122-L194 HydrophobicContact CZ3-CD2 4.2Å
123	F	87.2	Confident	81.2	Confident	51 Å²	51	74.2 Å²	74.2	22%	0.224	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-100.3	2.3	174.7	-63.6	-81.1	0	0	0	113.5	D75 V77 S119 L120 K121 P125 I189	D75-F123 WeakPolarHBondContact O-CE2 3.41Å; D75-F123 WeakPolarHBondContact O-CZ 3.33Å; V77-F123 HydrophobicContact CG2-CE2 3.89Å; V77-F123 HydrophobicContact CG2-CZ 3.89Å; S119-F123 VanDerWaalsContact O-CD2 3.23Å; S119-F123 WeakPolarHBondContact O-CD2 3.26Å; S119-F123 WeakPolarHBondContact O-CE2 3.4Å; L120-F123 PolarHBondContact O-N 3.12Å; L120-F123 VanDerWaalsContact O-N 3.15Å; K121-F123 PolarHBondContact O-N 2.8Å; F123-P125 WeakPolarHBondContact O-CD 3.35Å; F123-I189 HydrophobicContact CB-CB 4.42Å; F123-I189 HydrophobicContact CD1-CB 3.81Å; F123-I189 HydrophobicContact CD1-CG2 3.51Å; F123-I189 WeakPolarHBondContact CD1-O 3.41Å; F123-I189 HydrophobicContact CE1-CG2 3.93Å; F123-I189 HydrophobicContact CG-CG2 4.46Å
124	E	88.9	Confident	82	Confident	105 Å²	105	71.8 Å²	71.8	49%	0.491	37%	0.374	S	S	.	.			trans	-75.7	110.1	175.8	-69.2	179.8	-171.6	0	0	110.9	K121 G126 A127 Y128	K121-E124 WeakPolarHBondContact O-CB 3.09Å; K121-E124 PolarHBondContact O-N 3.2Å; E124-G126 PolarHBondContact O-N 3.49Å; E124-G126 VanDerWaalsContact O-N 3.16Å; E124-A127 HydrophobicContact CB-CB 4.36Å; E124-A127 PolarHBondContact O-N 2.72Å; E124-A127 VanDerWaalsContact O-N 3.14Å; E124-Y128 WeakPolarHBondContact O-CD2 3.46Å
125	P	87.9	Confident	83	Confident	51 Å²	51	64 Å²	64	33%	0.331	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-62.4	-30.1	-174.5	-22.2	34.2	0	0	0	113.6	F123 A127 Y128 S187 I189	F123-P125 WeakPolarHBondContact O-CD 3.35Å; P125-A127 VanDerWaalsContact C-N 3.26Å; P125-A127 PolarHBondContact O-N 3.21Å; P125-Y128 PolarHBondContact O-N 3.4Å; P125-S187 VanDerWaalsContact CG-O 3.23Å; P125-S187 WeakPolarHBondContact CG-O 3.44Å; P125-I189 HydrophobicContact CG-CG1 4.47Å
126	G	90.1	Very high	84.4	Confident	81 Å²	81	63.5 Å²	63.5	84%	0.835	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-71.6	-15.3	-179.2	0	0	0	0	0	114.7	E124 Y128	E124-G126 PolarHBondContact O-N 3.49Å; E124-G126 VanDerWaalsContact O-N 3.16Å; G126-Y128 VanDerWaalsContact C-N 3.31Å
127	A	88.8	Confident	85.9	Confident	43 Å²	43	63.9 Å²	63.9	36%	0.355	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-81.9	-11.2	178	0	0	0	0	0	113.2	S110 E124 P125	S110-A127 WeakPolarHBondContact CB-O 3.41Å; S110-A127 PolarHBondContact OG-O 3.38Å; E124-A127 HydrophobicContact CB-CB 4.36Å; E124-A127 PolarHBondContact O-N 2.72Å; E124-A127 VanDerWaalsContact O-N 3.14Å; P125-A127 VanDerWaalsContact C-N 3.26Å; P125-A127 PolarHBondContact O-N 3.21Å
128	Y	93.3	Very high	87.1	Confident	16 Å²	16	56.5 Å²	56.5	6%	0.063	30%	0.302	C	S	.	.			trans	-100.5	147.1	-176.5	-71.5	-98.2	0	0	0	112.1	R108 Y109 W122 E124 P125 G126 V177 N179 I189	R108-Y128 HydrophobicContact CB-CD1 4.31Å; R108-Y128 VanDerWaalsContact CD-CB 3.5Å; R108-Y128 HydrophobicContact CG-CD1 3.73Å; R108-Y128 HydrophobicContact CG-CG 4.02Å; Y109-Y128 WeakPolarHBondContact O-CA 3.45Å; W122-Y128 WeakPolarHBondContact O-CE2 3.12Å; W122-Y128 VanDerWaalsContact O-CZ 3.29Å; W122-Y128 PolarHBondContact O-OH 2.84Å; E124-Y128 WeakPolarHBondContact O-CD2 3.46Å; P125-Y128 PolarHBondContact O-N 3.4Å; G126-Y128 VanDerWaalsContact C-N 3.31Å; Y128-V177 HydrophobicContact CE1-CB 4.35Å; Y128-V177 HydrophobicContact CE1-CG1 4.26Å; Y128-V177 WeakPolarHBondContact CE1-O 3.41Å; Y128-V177 WeakPolarHBondContact OH-CG1 3.29Å; Y128-N179 HydrophobicContact CD1-CB 4.36Å; Y128-N179 HydrophobicContact CE1-CB 3.89Å; Y128-I189 HydrophobicContact CD2-CD1 3.56Å; Y128-I189 HydrophobicContact CE2-CD1 3.28Å; Y128-I189 HydrophobicContact CG-CD1 4.45Å
129	K	93.4	Very high	87.6	Confident	111 Å²	111	53.5 Å²	53.5	48%	0.483	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.4	167.3	-59.4	-159.9	-178.9	-174.8	0	110.3	R108 Y109 I131 K134	R108-K129 CarbonylContact C-O 3.55Å; R108-K129 WeakPolarHBondContact CA-O 3.32Å; R108-K129 VanDerWaalsContact CB-O 3.26Å; R108-K129 WeakPolarHBondContact CB-O 3.44Å; Y109-K129 PolarHBondContact N-O 3.46Å; Y109-K129 PolarHBondContact O-N 3.02Å; K129-I131 PolarHBondContact O-N 2.77Å; K129-K134 HydrophobicContact CB-CG 4.05Å
130	D	92.5	Very high	88.1	Confident	19 Å²	19	55.8 Å²	55.8	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	140.2	174	-169	-59.6	0	0	0	109.7	K132 E133 K134 Y181	D130-K132 PolarHBondContact O-N 3.04Å; D130-K132 WeakPolarHBondContact OD1-CB 3.35Å; D130-K132 WeakPolarHBondContact OD1-CG 3.42Å; D130-K132 PolarHBondContact OD1-N 2.85Å; D130-E133 HydrophobicContact CB-CG 4.27Å; D130-E133 WeakPolarHBondContact O-CB 3.36Å; D130-E133 PolarHBondContact O-N 2.92Å; D130-K134 PolarHBondContact O-N 3.35Å; D130-Y181 PolarHBondContact OD2-OH 3.2Å; D130-Y181 VanDerWaalsContact OD2-OH 3.12Å
131	I	92.5	Very high	88.5	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-34.7	179.3	-70.4	179.8	0	0	0	111.2	L42 W107 K129 E133 K134 I135 F138 F158 L165 Y178	L42-I131 HydrophobicContact CD1-CG2 4.01Å; L42-I131 HydrophobicContact CD2-CB 4.32Å; L42-I131 HydrophobicContact CD2-CG2 4.05Å; W107-I131 HydrophobicContact CB-CD1 3.45Å; W107-I131 VanDerWaalsContact CB-CD1 3.45Å; W107-I131 HydrophobicContact CB-CG1 4.13Å; W107-I131 HydrophobicContact CG-CD1 4.46Å; W107-I131 PolarHBondContact O-N 2.79Å; K129-I131 PolarHBondContact O-N 2.77Å; I131-E133 PolarHBondContact O-N 3.03Å; I131-K134 CarbonylContact O-C 3.59Å; I131-K134 WeakPolarHBondContact O-CA 3.27Å; I131-K134 PolarHBondContact O-N 2.7Å; I131-I135 HydrophobicContact CG2-CD1 4.13Å; I131-I135 WeakPolarHBondContact O-CG1 3.43Å; I131-I135 PolarHBondContact O-N 2.93Å; I131-I135 VanDerWaalsContact O-N 3.14Å; I131-F138 HydrophobicContact CG2-CE2 4.3Å; I131-F158 HydrophobicContact CG2-CB 4.4Å; I131-F158 HydrophobicContact CG2-CD1 3.94Å; I131-F158 HydrophobicContact CG2-CE1 4.35Å; I131-F158 HydrophobicContact CG2-CG 4.11Å; I131-L165 HydrophobicContact CD1-CD1 3.95Å; I131-L165 HydrophobicContact CD1-CD2 3.38Å; I131-L165 HydrophobicContact CD1-CG 4.34Å; I131-Y178 HydrophobicContact CD1-CD1 3.82Å; I131-Y178 HydrophobicContact CD1-CE1 3.74Å; I131-Y178 HydrophobicContact CG1-CE1 4.36Å
132	K	88.4	Confident	88.7	Confident	37 Å²	37	48.5 Å²	48.5	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-53.8	-39.8	175.2	-69.9	-175.7	-178.6	-173	0	112.3	Q39 L42 P44 D46 D130 K134	Q39-K132 PolarHBondContact NE2-O 3.3Å; L42-K132 HydrophobicContact CD2-CB 4.1Å; L42-K132 HydrophobicContact CD2-CD 4.29Å; L42-K132 HydrophobicContact CD2-CG 3.16Å; L42-K132 HydrophobicContact CG-CG 4.36Å; P44-K132 VanDerWaalsContact O-CE 3.24Å; P44-K132 WeakPolarHBondContact O-CE 3.41Å; P44-K132 PolarHBondContact O-NZ 2.8Å; D46-K132 IonicContact OD1-NZ 3.61Å; D46-K132 PolarHBondContact OD1-NZ 3.08Å; D46-K132 IonicContact OD2-NZ 3.42Å; D130-K132 PolarHBondContact O-N 3.04Å; D130-K132 WeakPolarHBondContact OD1-CB 3.35Å; D130-K132 WeakPolarHBondContact OD1-CG 3.42Å; D130-K132 PolarHBondContact OD1-N 2.85Å; K132-K134 VanDerWaalsContact C-N 3.29Å
133	E	90.4	Very high	88.3	Confident	126 Å²	126	48.5 Å²	48.5	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-74.8	-22.5	179.8	-61.1	177.9	-163.4	0	0	112.1	D130 I131	D130-E133 HydrophobicContact CB-CG 4.27Å; D130-E133 WeakPolarHBondContact O-CB 3.36Å; D130-E133 PolarHBondContact O-N 2.92Å; I131-E133 PolarHBondContact O-N 3.03Å
134	K	91.5	Very high	87.6	Confident	34 Å²	34	53.1 Å²	53.1	15%	0.148	28%	0.283	C	S	.	.	H	α-helix	trans	-95.7	-6.6	-176.4	-71.7	-67.9	-168.1	177.8	0	114.7	Y109 K129 D130 I131 K132 K136 D137 F138	Y109-K134 HydrophobicContact CD1-CB 4.35Å; Y109-K134 HydrophobicContact CD1-CD 4.19Å; Y109-K134 HydrophobicContact CD1-CG 3.93Å; K129-K134 HydrophobicContact CB-CG 4.05Å; D130-K134 PolarHBondContact O-N 3.35Å; I131-K134 CarbonylContact O-C 3.59Å; I131-K134 WeakPolarHBondContact O-CA 3.27Å; I131-K134 PolarHBondContact O-N 2.7Å; K132-K134 VanDerWaalsContact C-N 3.29Å; K134-K136 PolarHBondContact O-N 2.99Å; K134-D137 HydrophobicContact CD-CB 4.27Å; K134-D137 WeakPolarHBondContact CD-OD2 3.46Å; K134-D137 WeakPolarHBondContact CE-OD2 3.19Å; K134-D137 IonicContact NZ-OD2 3.91Å; K134-D137 PolarHBondContact NZ-OD2 3.38Å; K134-D137 WeakPolarHBondContact O-CB 3.38Å; K134-D137 PolarHBondContact O-N 3.2Å; K134-F138 HydrophobicContact CB-CD2 4.08Å; K134-F138 HydrophobicContact CB-CE2 3.61Å; K134-F138 HydrophobicContact CB-CZ 4.19Å; K134-F138 WeakPolarHBondContact O-CD2 3.26Å; K134-F138 PolarHBondContact O-N 2.99Å
135	I	87.5	Confident	86.7	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-52.8	-41.5	178.5	-66.6	-55.1	0	0	0	112.8	I35 T38 Q39 L42 I131 F138 Y139 F158	I35-I135 HydrophobicContact CG2-CG2 4.4Å; T38-I135 HydrophobicContact CG2-CD1 4.27Å; T38-I135 HydrophobicContact CG2-CG2 3.71Å; Q39-I135 HydrophobicContact CG-CB 4.2Å; Q39-I135 HydrophobicContact CG-CG1 4.2Å; Q39-I135 HydrophobicContact CG-CG2 4.18Å; L42-I135 HydrophobicContact CD1-CD1 4.29Å; I131-I135 HydrophobicContact CG2-CD1 4.13Å; I131-I135 WeakPolarHBondContact O-CG1 3.43Å; I131-I135 PolarHBondContact O-N 2.93Å; I131-I135 VanDerWaalsContact O-N 3.14Å; I135-F138 HydrophobicContact CD1-CD2 4.41Å; I135-F138 PolarHBondContact O-N 2.81Å; I135-Y139 WeakPolarHBondContact O-CB 3.33Å; I135-Y139 PolarHBondContact O-N 2.6Å; I135-F158 HydrophobicContact CD1-CD2 3.65Å; I135-F158 HydrophobicContact CD1-CE2 4.11Å; I135-F158 HydrophobicContact CD1-CG 4.3Å
136	K	87.3	Confident	85.6	Confident	100 Å²	100	49.7 Å²	49.7	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-45.2	177.7	-178.2	174.9	171.3	180	0	111.4	I35 K134 F138 Y139 E140	I35-K136 HydrophobicContact CD1-CB 4.41Å; I35-K136 HydrophobicContact CD1-CD 4.37Å; I35-K136 HydrophobicContact CD1-CG 4.03Å; K134-K136 PolarHBondContact O-N 2.99Å; K136-F138 VanDerWaalsContact C-N 3.33Å; K136-F138 PolarHBondContact O-N 3.24Å; K136-Y139 PolarHBondContact O-N 3.37Å; K136-E140 WeakPolarHBondContact CE-OE1 3.45Å; K136-E140 HydrophobicContact CG-CG 4.45Å; K136-E140 IonicContact NZ-OE1 3.73Å; K136-E140 WeakPolarHBondContact O-CG 3.49Å; K136-E140 PolarHBondContact O-N 3.2Å
137	D	90.4	Very high	84.1	Confident	71 Å²	71	51 Å²	51	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-42.9	178	-61.6	-3.3	0	0	0	110.8	K134 E140 A141	K134-D137 HydrophobicContact CD-CB 4.27Å; K134-D137 WeakPolarHBondContact CD-OD2 3.46Å; K134-D137 WeakPolarHBondContact CE-OD2 3.19Å; K134-D137 IonicContact NZ-OD2 3.91Å; K134-D137 PolarHBondContact NZ-OD2 3.38Å; K134-D137 WeakPolarHBondContact O-CB 3.38Å; K134-D137 PolarHBondContact O-N 3.2Å; D137-E140 PolarHBondContact O-N 3.23Å; D137-A141 WeakPolarHBondContact O-CB 3.48Å; D137-A141 PolarHBondContact O-N 2.89Å
138	F	90.3	Very high	82.4	Confident	5 Å²	5	57.4 Å²	57.4	2%	0.022	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-43.2	175.1	-67.6	-53	0	0	0	112	Y109 I131 K134 I135 K136 F142 F158 E173 V174	Y109-F138 HydrophobicContact CD1-CE1 4.26Å; Y109-F138 AromaticContact CD1-CZ 3.76Å; Y109-F138 HydrophobicContact CD1-CZ 3.76Å; Y109-F138 HydrophobicContact CD2-CE1 4.16Å; Y109-F138 AromaticContact CD2-CZ 3.71Å; Y109-F138 HydrophobicContact CD2-CZ 3.71Å; Y109-F138 AromaticContact CE1-CE1 3.9Å; Y109-F138 HydrophobicContact CE1-CE1 3.9Å; Y109-F138 AromaticContact CE1-CZ 3.89Å; Y109-F138 HydrophobicContact CE1-CZ 3.89Å; Y109-F138 AromaticContact CE2-CE1 3.75Å; Y109-F138 HydrophobicContact CE2-CE1 3.75Å; Y109-F138 AromaticContact CE2-CZ 3.8Å; Y109-F138 HydrophobicContact CE2-CZ 3.8Å; Y109-F138 HydrophobicContact CG-CE1 4.37Å; Y109-F138 AromaticContact CG-CZ 3.65Å; Y109-F138 HydrophobicContact CG-CZ 3.65Å; Y109-F138 AromaticContact CZ-CE1 3.61Å; Y109-F138 AromaticContact CZ-CZ 3.89Å; I131-F138 HydrophobicContact CG2-CE2 4.3Å; K134-F138 HydrophobicContact CB-CD2 4.08Å; K134-F138 HydrophobicContact CB-CE2 3.61Å; K134-F138 HydrophobicContact CB-CZ 4.19Å; K134-F138 WeakPolarHBondContact O-CD2 3.26Å; K134-F138 PolarHBondContact O-N 2.99Å; I135-F138 HydrophobicContact CD1-CD2 4.41Å; I135-F138 PolarHBondContact O-N 2.81Å; K136-F138 VanDerWaalsContact C-N 3.33Å; K136-F138 PolarHBondContact O-N 3.24Å; F138-F142 WeakPolarHBondContact O-CB 3.41Å; F138-F142 PolarHBondContact O-N 3.21Å; F138-F158 HydrophobicContact CB-CE2 4.22Å; F138-F158 HydrophobicContact CD1-CZ 4.14Å; F138-F158 HydrophobicContact CD2-CE1 4.39Å; F138-F158 AromaticContact CD2-CE2 3.56Å; F138-F158 HydrophobicContact CD2-CE2 3.56Å; F138-F158 AromaticContact CD2-CZ 3.45Å; F138-F158 HydrophobicContact CD2-CZ 3.45Å; F138-F158 VanDerWaalsContact CD2-CZ 3.45Å; F138-F158 HydrophobicContact CE1-CZ 4.19Å; F138-F158 HydrophobicContact CE2-CE1 4.06Å; F138-F158 HydrophobicContact CE2-CE2 4.05Å; F138-F158 AromaticContact CE2-CZ 3.53Å; F138-F158 HydrophobicContact CE2-CZ 3.53Å; F138-F158 AromaticContact CG-CE2 3.92Å; F138-F158 HydrophobicContact CG-CE2 3.92Å; F138-F158 AromaticContact CG-CZ 3.79Å; F138-F158 HydrophobicContact CG-CZ 3.79Å; F138-F158 HydrophobicContact CZ-CE1 4.33Å; F138-F158 AromaticContact CZ-CZ 3.9Å; F138-F158 HydrophobicContact CZ-CZ 3.9Å; F138-E173 WeakPolarHBondContact CD1-O 3.24Å; F138-V174 HydrophobicContact CD1-CG1 4.3Å
139	Y	84.2	Confident	80.4	Confident	9 Å²	9	57.6 Å²	57.6	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-43.1	177.6	-179.5	-94.7	0	0	0	112.1	L13 T30 I135 K136 F142 M143 Q155	L13-Y139 WeakPolarHBondContact CD2-OH 3.48Å; T30-Y139 HydrophobicContact CG2-CD1 4Å; T30-Y139 HydrophobicContact CG2-CE1 3.88Å; I135-Y139 WeakPolarHBondContact O-CB 3.33Å; I135-Y139 PolarHBondContact O-N 2.6Å; K136-Y139 PolarHBondContact O-N 3.37Å; Y139-F142 CarbonylContact O-C 3.37Å; Y139-F142 WeakPolarHBondContact O-CB 3.36Å; Y139-F142 PolarHBondContact O-N 3.14Å; Y139-M143 HydrophobicContact CD1-CG 4.1Å; Y139-M143 HydrophobicContact CE1-CG 3.67Å; Y139-M143 HydrophobicContact CE1-SD 4.42Å; Y139-M143 HydrophobicContact CE2-CG 4.34Å; Y139-M143 HydrophobicContact CE2-SD 4.27Å; Y139-M143 WeakPolarHBondContact O-CG 3.29Å; Y139-M143 PolarHBondContact O-N 2.85Å; Y139-Q155 VanDerWaalsContact CD2-OE1 3.25Å
140	E	85.1	Confident	78.3	Confident	79 Å²	79	56.1 Å²	56.1	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-67.8	-44.1	178.1	-73.4	178.8	-179.7	0	0	112.1	T30 K136 D137 F142 M143 K144	T30-E140 HydrophobicContact CG2-CG 3.85Å; K136-E140 WeakPolarHBondContact CE-OE1 3.45Å; K136-E140 HydrophobicContact CG-CG 4.45Å; K136-E140 IonicContact NZ-OE1 3.73Å; K136-E140 WeakPolarHBondContact O-CG 3.49Å; K136-E140 PolarHBondContact O-N 3.2Å; D137-E140 PolarHBondContact O-N 3.23Å; E140-F142 PolarHBondContact O-N 3.02Å; E140-M143 PolarHBondContact O-N 2.79Å; E140-K144 WeakPolarHBondContact O-CB 3.29Å; E140-K144 PolarHBondContact O-N 3.33Å
141	A	85	Confident	76.3	Confident	35 Å²	35	57.3 Å²	57.3	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-39.5	173	0	0	0	0	0	110.8	D137 Q145 E173	D137-A141 WeakPolarHBondContact O-CB 3.48Å; D137-A141 PolarHBondContact O-N 2.89Å; A141-Q145 WeakPolarHBondContact O-CG 3.33Å; A141-Q145 PolarHBondContact O-N 3.37Å; A141-E173 HydrophobicContact CB-CB 3.79Å
142	F	82.9	Confident	74.7	Confident	10 Å²	10	62.5 Å²	62.5	4%	0.044	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-61	170.9	171.1	-95.7	0	0	0	110	F138 Y139 E140 K144 Q145 S146 R153 V154 Q155 E173	F138-F142 WeakPolarHBondContact O-CB 3.41Å; F138-F142 PolarHBondContact O-N 3.21Å; Y139-F142 CarbonylContact O-C 3.37Å; Y139-F142 WeakPolarHBondContact O-CB 3.36Å; Y139-F142 PolarHBondContact O-N 3.14Å; E140-F142 PolarHBondContact O-N 3.02Å; F142-K144 VanDerWaalsContact C-N 3.27Å; F142-K144 PolarHBondContact O-N 3.43Å; F142-K144 VanDerWaalsContact O-N 3.14Å; F142-Q145 PolarHBondContact O-N 2.77Å; F142-S146 WeakPolarHBondContact CD1-OG 3.49Å; F142-S146 VanDerWaalsContact CE1-OG 3.29Å; F142-S146 WeakPolarHBondContact CE1-OG 3.48Å; F142-S146 WeakPolarHBondContact CZ-OG 3.39Å; F142-S146 PolarHBondContact O-N 3.33Å; F142-S146 PolarHBondContact O-OG 3.3Å; F142-R153 HydrophobicContact CE2-CB 4.05Å; F142-R153 HydrophobicContact CE2-CG 3.48Å; F142-R153 VanDerWaalsContact CE2-CG 3.48Å; F142-R153 VanDerWaalsContact CE2-CZ 3.5Å; F142-R153 HydrophobicContact CZ-CB 4.3Å; F142-R153 HydrophobicContact CZ-CG 3.66Å; F142-R153 WeakPolarHBondContact CZ-O 2.99Å; F142-R153 PolarHBondContact O-NH2 3.38Å; F142-V154 WeakPolarHBondContact CE2-O 3.11Å; F142-Q155 HydrophobicContact CD1-CB 3.91Å; F142-Q155 HydrophobicContact CD2-CB 4.33Å; F142-Q155 HydrophobicContact CE1-CB 3.83Å; F142-Q155 VanDerWaalsContact CE2-CA 3.46Å; F142-Q155 HydrophobicContact CE2-CB 4.26Å; F142-Q155 HydrophobicContact CG-CB 4.17Å; F142-Q155 HydrophobicContact CZ-CB 4.01Å; F142-Q155 VanDerWaalsContact CZ-N 3.35Å; F142-E173 HydrophobicContact CB-CG 4.02Å
143	M	76.3	Confident	73.7	Confident	28 Å²	28	61.8 Å²	61.8	14%	0.138	30%	0.295	C	S	.	.	H	α-helix	trans	-54.6	-42.7	-177	-66.4	-55	-69.7	0	0	112.5	L13 L28 Y139 E140 Q145 S146 H147	L13-M143 HydrophobicContact CD2-CE 3.77Å; L13-M143 HydrophobicContact CD2-SD 4.27Å; L28-M143 HydrophobicContact CD2-CE 3.36Å; Y139-M143 HydrophobicContact CD1-CG 4.1Å; Y139-M143 HydrophobicContact CE1-CG 3.67Å; Y139-M143 HydrophobicContact CE1-SD 4.42Å; Y139-M143 HydrophobicContact CE2-CG 4.34Å; Y139-M143 HydrophobicContact CE2-SD 4.27Å; Y139-M143 WeakPolarHBondContact O-CG 3.29Å; Y139-M143 PolarHBondContact O-N 2.85Å; E140-M143 PolarHBondContact O-N 2.79Å; M143-Q145 VanDerWaalsContact C-N 3.31Å; M143-Q145 PolarHBondContact O-N 2.81Å; M143-S146 WeakPolarHBondContact O-CB 3.34Å; M143-S146 PolarHBondContact O-N 3.17Å; M143-H147 PolarHBondContact O-CD2 3.3Å; M143-H147 VanDerWaalsContact O-CG 3.25Å; M143-H147 PolarHBondContact O-N 3.28Å; M143-H147 PolarHBondContact O-NE2 3.08Å
144	K	74.1	Confident	72.8	Confident	148 Å²	148	58.2 Å²	58.2	64%	0.643	28%	0.282	S	S	*	.	H	α-helix	trans	-57.9	-40.7	177.6	-174.4	178.6	-179.7	-178.4	0	113.3	E140 F142	E140-K144 WeakPolarHBondContact O-CB 3.29Å; E140-K144 PolarHBondContact O-N 3.33Å; F142-K144 VanDerWaalsContact C-N 3.27Å; F142-K144 PolarHBondContact O-N 3.43Å; F142-K144 VanDerWaalsContact O-N 3.14Å
145	Q	68.6	Low	72.2	Confident	63 Å²	63	57.2 Å²	57.2	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-78.6	-36.6	177	-72.7	172.6	8.1	0	0	111.7	A141 F142 M143 H147 R148 E173	A141-Q145 WeakPolarHBondContact O-CG 3.33Å; A141-Q145 PolarHBondContact O-N 3.37Å; F142-Q145 PolarHBondContact O-N 2.77Å; M143-Q145 VanDerWaalsContact C-N 3.31Å; M143-Q145 PolarHBondContact O-N 2.81Å; Q145-H147 VanDerWaalsContact C-N 3.3Å; Q145-H147 PolarHBondContact O-N 2.96Å; Q145-R148 PolarHBondContact O-N 2.91Å; Q145-E173 PolarHBondContact OE1-OE2 3.47Å
146	S	65.7	Low	72.1	Confident	21 Å²	21	57.2 Å²	57.2	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-37.8	178	-47.9	0	0	0	0	112.3	F142 M143 R148 S149 R153	F142-S146 WeakPolarHBondContact CD1-OG 3.49Å; F142-S146 VanDerWaalsContact CE1-OG 3.29Å; F142-S146 WeakPolarHBondContact CE1-OG 3.48Å; F142-S146 WeakPolarHBondContact CZ-OG 3.39Å; F142-S146 PolarHBondContact O-N 3.33Å; F142-S146 PolarHBondContact O-OG 3.3Å; M143-S146 WeakPolarHBondContact O-CB 3.34Å; M143-S146 PolarHBondContact O-N 3.17Å; S146-R148 PolarHBondContact O-N 2.79Å; S146-S149 VanDerWaalsContact O-CB 3.23Å; S146-S149 WeakPolarHBondContact O-CB 3.38Å; S146-S149 PolarHBondContact O-N 2.89Å; S146-R153 PolarHBondContact OG-NE 3.14Å; S146-R153 PolarHBondContact OG-NH2 2.94Å
147	H	58.5	Low	72	Confident	108 Å²	108	56 Å²	56	50%	0.5	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.2	-177.5	-70	-166.4	0	0	0	112.9	M143 Q145 S149	M143-H147 PolarHBondContact O-CD2 3.3Å; M143-H147 VanDerWaalsContact O-CG 3.25Å; M143-H147 PolarHBondContact O-N 3.28Å; M143-H147 PolarHBondContact O-NE2 3.08Å; Q145-H147 VanDerWaalsContact C-N 3.3Å; Q145-H147 PolarHBondContact O-N 2.96Å; H147-S149 VanDerWaalsContact C-N 3.32Å
148	R	52.7	Low	72	Confident	178 Å²	178	52.9 Å²	52.9	67%	0.672	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-14.4	176.2	-62.1	-178.2	176.2	-170.4	-5.7	111.8	Q145 S146 F312	Q145-R148 PolarHBondContact O-N 2.91Å; S146-R148 PolarHBondContact O-N 2.79Å; R148-F312 HydrophobicContact CB-CZ 4.35Å; R148-F312 WeakPolarHBondContact O-CE2 3.08Å; R148-F312 WeakPolarHBondContact O-CZ 3.07Å
149	S	51.8	Low	71.8	Confident	20 Å²	20	53.8 Å²	53.8	14%	0.14	27%	0.267	C	S	.	.			trans	-87.5	142.5	-174.8	-173.3	0	0	0	0	112.8	S146 H147 V151 Y314 E315	S146-S149 VanDerWaalsContact O-CB 3.23Å; S146-S149 WeakPolarHBondContact O-CB 3.38Å; S146-S149 PolarHBondContact O-N 2.89Å; H147-S149 VanDerWaalsContact C-N 3.32Å; S149-V151 PolarHBondContact OG-N 3.02Å; S149-V151 VanDerWaalsContact OG-N 3.1Å; S149-V151 PolarHBondContact OG-O 3.42Å; S149-Y314 WeakPolarHBondContact CA-OH 3.25Å; S149-Y314 WeakPolarHBondContact CB-OH 3.49Å; S149-Y314 WeakPolarHBondContact OG-CE2 3.46Å; S149-Y314 PolarHBondContact OG-OH 2.97Å; S149-E315 PolarHBondContact OG-OE1 2.5Å
150	T	48.6	Very low	71.9	Confident	80 Å²	80	54 Å²	54	49%	0.491	27%	0.268	S	S	.	.	S	Bend	trans	-85.4	-22.1	166.5	62	0	0	0	0	112	V310 E315	T150-V310 HydrophobicContact CG2-CB 3.52Å; T150-V310 HydrophobicContact CG2-CG1 3.91Å; T150-V310 HydrophobicContact CG2-CG2 3.7Å; T150-E315 PolarHBondContact N-OE1 3.47Å; T150-E315 PolarHBondContact OG1-OE1 3.24Å; T150-E315 PolarHBondContact OG1-OE2 3.28Å
151	V	50.2	Low	71.6	Confident	45 Å²	45	55.3 Å²	55.3	27%	0.273	27%	0.274	S	S	.	.	S	Bend	trans	-89.4	130.4	176.3	-176.5	0	0	0	0	111.5	S149 R153 E315	S149-V151 PolarHBondContact OG-N 3.02Å; S149-V151 VanDerWaalsContact OG-N 3.1Å; S149-V151 PolarHBondContact OG-O 3.42Å; V151-R153 PolarHBondContact O-N 3.2Å; V151-E315 HydrophobicContact CB-CG 4.15Å; V151-E315 HydrophobicContact CG2-CB 4.19Å; V151-E315 HydrophobicContact CG2-CG 3.62Å; V151-E315 PolarHBondContact N-OE1 2.93Å
152	F	59	Low	71.5	Confident	111 Å²	111	56.4 Å²	56.4	49%	0.487	28%	0.275	S	S	.	.			trans	-63.6	121.2	169.1	-179.6	-97.1	0	0	0	109.7	V154 F348	F152-V154 HydrophobicContact CE1-CG2 4.23Å; F152-F348 HydrophobicContact CD1-CZ 4.38Å; F152-F348 HydrophobicContact CE1-CZ 4.34Å
153	R	67.7	Low	71.4	Confident	21 Å²	21	56.1 Å²	56.1	8%	0.079	28%	0.275	C	S	.	.			trans	-110.1	150.5	174.2	48.9	-179.2	-145.2	148.5	3.5	110.7	F85 F142 S146 V151 E173	F85-R153 HydrophobicContact CE1-CB 3.7Å; F85-R153 HydrophobicContact CZ-CB 4.11Å; F142-R153 HydrophobicContact CE2-CB 4.05Å; F142-R153 HydrophobicContact CE2-CG 3.48Å; F142-R153 VanDerWaalsContact CE2-CG 3.48Å; F142-R153 VanDerWaalsContact CE2-CZ 3.5Å; F142-R153 HydrophobicContact CZ-CB 4.3Å; F142-R153 HydrophobicContact CZ-CG 3.66Å; F142-R153 WeakPolarHBondContact CZ-O 2.99Å; F142-R153 PolarHBondContact O-NH2 3.38Å; S146-R153 PolarHBondContact OG-NE 3.14Å; S146-R153 PolarHBondContact OG-NH2 2.94Å; V151-R153 PolarHBondContact O-N 3.2Å; R153-E173 IonicContact CZ-OE2 2.87Å; R153-E173 IonicContact NH1-OE1 3.5Å; R153-E173 IonicContact NH1-OE2 3.77Å; R153-E173 PolarHBondContact NH1-OE2 3.22Å; R153-E173 IonicContact NH2-OE2 3.99Å; R153-E173 PolarHBondContact NH2-OE2 2.83Å
154	V	71.4	Confident	72.1	Confident	52 Å²	52	57.2 Å²	57.2	32%	0.315	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-90.6	138.2	170.7	-176.4	0	0	0	0	107.9	I11 F142 F152 K169	I11-V154 HydrophobicContact CD1-CG1 4.1Å; F142-V154 WeakPolarHBondContact CE2-O 3.11Å; F152-V154 HydrophobicContact CE1-CG2 4.23Å; V154-K169 HydrophobicContact CB-CG 4.44Å
155	Q	78.3	Confident	73	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.056	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60	150.9	176.3	69.2	179.9	48.4	0	0	111.5	I11 T38 Y139 F142	I11-Q155 HydrophobicContact CD1-CG 4.45Å; T38-Q155 PolarHBondContact OG1-NE2 2.94Å; Y139-Q155 VanDerWaalsContact CD2-OE1 3.25Å; F142-Q155 HydrophobicContact CD1-CB 3.91Å; F142-Q155 HydrophobicContact CD2-CB 4.33Å; F142-Q155 HydrophobicContact CE1-CB 3.83Å; F142-Q155 VanDerWaalsContact CE2-CA 3.46Å; F142-Q155 HydrophobicContact CE2-CB 4.26Å; F142-Q155 HydrophobicContact CG-CB 4.17Å; F142-Q155 HydrophobicContact CZ-CB 4.01Å; F142-Q155 VanDerWaalsContact CZ-N 3.35Å
156	P	85.8	Confident	74.1	Confident	6 Å²	6	47.7 Å²	47.7	4%	0.039	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.9	141.8	173.9	27.7	-34.5	0	0	0	110	F158 I167 Y168 E173 V174	P156-F158 HydrophobicContact CB-CE2 4.3Å; P156-F158 HydrophobicContact CG-CE2 4.39Å; P156-I167 HydrophobicContact CB-CG2 4.39Å; P156-Y168 VanDerWaalsContact CA-O 3.31Å; P156-Y168 WeakPolarHBondContact CA-O 3.23Å; P156-E173 VanDerWaalsContact CD-OE1 3.3Å; P156-E173 WeakPolarHBondContact CD-OE1 3.21Å; P156-E173 HydrophobicContact CG-CG 3.92Å; P156-E173 WeakPolarHBondContact CG-OE1 3.08Å; P156-V174 HydrophobicContact CB-CG1 3.64Å; P156-V174 HydrophobicContact CG-CG1 3.72Å
157	M	85.7	Confident	75.4	Confident	75 Å²	75	46.7 Å²	46.7	37%	0.369	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	174	-60.3	-178.7	-66.9	0	0	108.8	I167 Y168	M157-I167 CarbonylContact O-C 3.48Å; M157-I167 WeakPolarHBondContact O-CA 3.31Å; M157-Y168 HydrophobicContact CB-CD2 4.46Å; M157-Y168 PolarHBondContact N-O 2.94Å; M157-Y168 PolarHBondContact O-N 2.94Å
158	F	89.4	Confident	76.7	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.022	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137	-179.2	-62.6	-99.7	0	0	0	108.4	L42 I131 I135 F138 P156 L165 V166 I167 V174 Y178	L42-F158 HydrophobicContact CD1-CB 3.1Å; L42-F158 HydrophobicContact CD1-CG 4.19Å; I131-F158 HydrophobicContact CG2-CB 4.4Å; I131-F158 HydrophobicContact CG2-CD1 3.94Å; I131-F158 HydrophobicContact CG2-CE1 4.35Å; I131-F158 HydrophobicContact CG2-CG 4.11Å; I135-F158 HydrophobicContact CD1-CD2 3.65Å; I135-F158 HydrophobicContact CD1-CE2 4.11Å; I135-F158 HydrophobicContact CD1-CG 4.3Å; F138-F158 HydrophobicContact CB-CE2 4.22Å; F138-F158 HydrophobicContact CD1-CZ 4.14Å; F138-F158 HydrophobicContact CD2-CE1 4.39Å; F138-F158 AromaticContact CD2-CE2 3.56Å; F138-F158 HydrophobicContact CD2-CE2 3.56Å; F138-F158 AromaticContact CD2-CZ 3.45Å; F138-F158 HydrophobicContact CD2-CZ 3.45Å; F138-F158 VanDerWaalsContact CD2-CZ 3.45Å; F138-F158 HydrophobicContact CE1-CZ 4.19Å; F138-F158 HydrophobicContact CE2-CE1 4.06Å; F138-F158 HydrophobicContact CE2-CE2 4.05Å; F138-F158 AromaticContact CE2-CZ 3.53Å; F138-F158 HydrophobicContact CE2-CZ 3.53Å; F138-F158 AromaticContact CG-CE2 3.92Å; F138-F158 HydrophobicContact CG-CE2 3.92Å; F138-F158 AromaticContact CG-CZ 3.79Å; F138-F158 HydrophobicContact CG-CZ 3.79Å; F138-F158 HydrophobicContact CZ-CE1 4.33Å; F138-F158 AromaticContact CZ-CZ 3.9Å; F138-F158 HydrophobicContact CZ-CZ 3.9Å; P156-F158 HydrophobicContact CB-CE2 4.3Å; P156-F158 HydrophobicContact CG-CE2 4.39Å; F158-L165 HydrophobicContact CD1-CD1 4.36Å; F158-V166 CarbonylContact C-O 3.59Å; F158-V166 WeakPolarHBondContact CA-O 3.13Å; F158-I167 HydrophobicContact CD1-CB 4.41Å; F158-I167 HydrophobicContact CD1-CD1 4.19Å; F158-I167 HydrophobicContact CD1-CG1 3.79Å; F158-I167 HydrophobicContact CD1-CG2 4.06Å; F158-I167 HydrophobicContact CE1-CB 4.49Å; F158-I167 HydrophobicContact CE1-CD1 3.83Å; F158-I167 HydrophobicContact CE1-CG1 3.9Å; F158-I167 HydrophobicContact CE1-CG2 3.85Å; F158-I167 HydrophobicContact CZ-CG2 4.22Å; F158-V174 HydrophobicContact CE1-CG1 4.34Å; F158-V174 HydrophobicContact CE2-CG1 4.3Å; F158-V174 HydrophobicContact CZ-CB 4.27Å; F158-V174 HydrophobicContact CZ-CG1 3.6Å; F158-Y178 HydrophobicContact CE1-CE1 4.48Å
159	A	86.4	Confident	78.2	Confident	24 Å²	24	42.7 Å²	42.7	20%	0.198	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.2	172.7	0	0	0	0	0	108.9	V166 Y168	A159-V166 PolarHBondContact N-O 2.77Å; A159-V166 PolarHBondContact O-N 3.43Å; A159-Y168 HydrophobicContact CB-CE2 3.9Å
160	Q	86.4	Confident	79.9	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.1	170.3	-167.7	178.9	-31	0	0	108.2	A43 Y63 K105 L164	A43-Q160 WeakPolarHBondContact O-CB 3.44Å; A43-Q160 PolarHBondContact O-OE1 2.82Å; Y63-Q160 HydrophobicContact CD1-CG 4.15Å; Y63-Q160 HydrophobicContact CE1-CB 4.23Å; Y63-Q160 HydrophobicContact CE1-CG 4.32Å; Y63-Q160 WeakPolarHBondContact CE1-O 3.17Å; K105-Q160 PolarHBondContact O-NE2 3.42Å; Q160-L164 VanDerWaalsContact CA-O 3.26Å; Q160-L164 WeakPolarHBondContact CA-O 3.42Å; Q160-L164 WeakPolarHBondContact CG-O 3.29Å
161	Q	79.7	Confident	81.6	Confident	107 Å²	107	38 Å²	38	50%	0.5	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	136	176.9	179.4	175.4	-11.9	0	0	109.4	G163 L164	Q161-G163 PolarHBondContact O-N 3.17Å; Q161-G163 VanDerWaalsContact O-N 3.14Å; Q161-L164 PolarHBondContact N-O 2.87Å; Q161-L164 WeakPolarHBondContact O-CA 3.2Å; Q161-L164 VanDerWaalsContact O-CB 3.29Å; Q161-L164 WeakPolarHBondContact O-CB 3.45Å; Q161-L164 PolarHBondContact O-N 3.4Å
162	D	81.6	Confident	83.2	Confident	59 Å²	59	39.4 Å²	39.4	32%	0.316	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.1	172.7	-63.3	-51.2	0	0	0	113.4	Q62 Q65 L164	Q62-D162 VanDerWaalsContact CD-OD1 3.28Å; Q62-D162 PolarHBondContact NE2-OD1 2.95Å; Q62-D162 PolarHBondContact OE1-OD1 3.42Å; Q65-D162 PolarHBondContact NE2-OD1 2.9Å; D162-L164 PolarHBondContact O-N 3.42Å
163	G	82.1	Confident	84.6	Confident	4 Å²	4	34.5 Å²	34.5	4%	0.041	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	4.8	-177.3	0	0	0	0	0	115.2	Q65 C92 Q161	Q65-G163 WeakPolarHBondContact O-CA 3.33Å; C92-G163 WeakPolarHBondContact CB-O 3.39Å; C92-G163 PolarHBondContact N-O 3.28Å; Q161-G163 PolarHBondContact O-N 3.17Å; Q161-G163 VanDerWaalsContact O-N 3.14Å
164	L	90.5	Very high	85.7	Confident	50 Å²	50	33.5 Å²	33.5	26%	0.262	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.9	175.1	-62.7	155	0	0	0	110.2	I90 P91 Q160 Q161 D162 V166	I90-L164 WeakPolarHBondContact O-CA 3.47Å; P91-L164 HydrophobicContact CB-CD2 3.8Å; Q160-L164 VanDerWaalsContact CA-O 3.26Å; Q160-L164 WeakPolarHBondContact CA-O 3.42Å; Q160-L164 WeakPolarHBondContact CG-O 3.29Å; Q161-L164 PolarHBondContact N-O 2.87Å; Q161-L164 WeakPolarHBondContact O-CA 3.2Å; Q161-L164 VanDerWaalsContact O-CB 3.29Å; Q161-L164 WeakPolarHBondContact O-CB 3.45Å; Q161-L164 PolarHBondContact O-N 3.4Å; D162-L164 PolarHBondContact O-N 3.42Å; L164-V166 HydrophobicContact CB-CG2 4.39Å
165	L	93	Very high	86.7	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.7	157.9	173.6	64.4	0	0	0	108.4	E89 I90 W107 I131 F158 I167 Y178	E89-L165 CarbonylContact C-O 3.59Å; E89-L165 WeakPolarHBondContact CA-O 3.34Å; I90-L165 HydrophobicContact CB-CB 4.28Å; I90-L165 HydrophobicContact CD1-CD2 4Å; I90-L165 HydrophobicContact CD1-CG 4.43Å; I90-L165 PolarHBondContact N-O 3.41Å; I90-L165 PolarHBondContact O-N 2.99Å; W107-L165 HydrophobicContact CB-CD2 4.09Å; W107-L165 HydrophobicContact CD2-CB 3.67Å; W107-L165 HydrophobicContact CD2-CD2 3.84Å; W107-L165 HydrophobicContact CD2-CG 4.35Å; W107-L165 VanDerWaalsContact CE2-CB 3.43Å; W107-L165 HydrophobicContact CE3-CB 4.31Å; W107-L165 HydrophobicContact CE3-CD2 3.95Å; W107-L165 HydrophobicContact CG-CB 3.87Å; W107-L165 HydrophobicContact CG-CD1 4.38Å; W107-L165 HydrophobicContact CG-CD2 3.9Å; W107-L165 HydrophobicContact CG-CG 4.29Å; W107-L165 HydrophobicContact CH2-CB 4.47Å; W107-L165 HydrophobicContact CZ2-CB 3.86Å; I131-L165 HydrophobicContact CD1-CD1 3.95Å; I131-L165 HydrophobicContact CD1-CD2 3.38Å; I131-L165 HydrophobicContact CD1-CG 4.34Å; F158-L165 HydrophobicContact CD1-CD1 4.36Å; L165-I167 HydrophobicContact CD2-CD1 4.44Å; L165-I167 HydrophobicContact CD2-CG1 4.47Å; L165-I167 HydrophobicContact CG-CG1 4.16Å; L165-Y178 HydrophobicContact CD2-CD1 3.71Å; L165-Y178 HydrophobicContact CD2-CE1 4.02Å
166	V	91.6	Very high	87.3	Confident	10 Å²	10	32.9 Å²	32.9	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.3	177.1	-174.4	0	0	0	0	108.2	V88 E89 F158 A159 L164 Y168	V88-V166 CarbonylContact O-C 3.59Å; V88-V166 WeakPolarHBondContact O-CA 3.5Å; E89-V166 HydrophobicContact CG-CG1 4.33Å; E89-V166 HydrophobicContact CG-CG2 4.24Å; F158-V166 CarbonylContact C-O 3.59Å; F158-V166 WeakPolarHBondContact CA-O 3.13Å; A159-V166 PolarHBondContact N-O 2.77Å; A159-V166 PolarHBondContact O-N 3.43Å; L164-V166 HydrophobicContact CB-CG2 4.39Å; V166-Y168 HydrophobicContact CB-CE2 4.18Å; V166-Y168 HydrophobicContact CG1-CD1 4.23Å; V166-Y168 HydrophobicContact CG1-CD2 4.06Å; V166-Y168 HydrophobicContact CG1-CE1 3.79Å; V166-Y168 HydrophobicContact CG1-CE2 3.61Å; V166-Y168 HydrophobicContact CG1-CG 4.35Å; V166-Y168 VanDerWaalsContact CG1-CZ 3.45Å
167	I	92.1	Very high	87.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	97.5	175.5	-46.4	177.5	0	0	0	107.8	A87 V88 I90 P156 M157 F158 L165 A170 V174 Y178 L195	A87-I167 CarbonylContact C-O 3.59Å; A87-I167 VanDerWaalsContact CA-O 3.29Å; A87-I167 WeakPolarHBondContact CA-O 3.05Å; V88-I167 HydrophobicContact CB-CB 4.39Å; V88-I167 PolarHBondContact N-O 3.22Å; V88-I167 PolarHBondContact O-N 3.38Å; I90-I167 HydrophobicContact CD1-CD1 3.97Å; P156-I167 HydrophobicContact CB-CG2 4.39Å; M157-I167 CarbonylContact O-C 3.48Å; M157-I167 WeakPolarHBondContact O-CA 3.31Å; F158-I167 HydrophobicContact CD1-CB 4.41Å; F158-I167 HydrophobicContact CD1-CD1 4.19Å; F158-I167 HydrophobicContact CD1-CG1 3.79Å; F158-I167 HydrophobicContact CD1-CG2 4.06Å; F158-I167 HydrophobicContact CE1-CB 4.49Å; F158-I167 HydrophobicContact CE1-CD1 3.83Å; F158-I167 HydrophobicContact CE1-CG1 3.9Å; F158-I167 HydrophobicContact CE1-CG2 3.85Å; F158-I167 HydrophobicContact CZ-CG2 4.22Å; L165-I167 HydrophobicContact CD2-CD1 4.44Å; L165-I167 HydrophobicContact CD2-CG1 4.47Å; L165-I167 HydrophobicContact CG-CG1 4.16Å; I167-A170 HydrophobicContact CB-CB 4.32Å; I167-A170 HydrophobicContact CG2-CB 3.91Å; I167-V174 HydrophobicContact CG2-CB 4.41Å; I167-V174 HydrophobicContact CG2-CG1 4.16Å; I167-V174 HydrophobicContact CG2-CG2 4.19Å; I167-Y178 HydrophobicContact CD1-CE1 4.22Å; I167-L195 HydrophobicContact CD1-CD2 3.72Å
168	Y	87.6	Confident	88.2	Confident	104 Å²	104	29.2 Å²	29.2	41%	0.408	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.4	174.1	-60.6	-80.8	0	0	0	110.5	A87 P156 M157 A159 V166 A170	A87-Y168 HydrophobicContact CB-CD1 4.1Å; P156-Y168 VanDerWaalsContact CA-O 3.31Å; P156-Y168 WeakPolarHBondContact CA-O 3.23Å; M157-Y168 HydrophobicContact CB-CD2 4.46Å; M157-Y168 PolarHBondContact N-O 2.94Å; M157-Y168 PolarHBondContact O-N 2.94Å; A159-Y168 HydrophobicContact CB-CE2 3.9Å; V166-Y168 HydrophobicContact CB-CE2 4.18Å; V166-Y168 HydrophobicContact CG1-CD1 4.23Å; V166-Y168 HydrophobicContact CG1-CD2 4.06Å; V166-Y168 HydrophobicContact CG1-CE1 3.79Å; V166-Y168 HydrophobicContact CG1-CE2 3.61Å; V166-Y168 HydrophobicContact CG1-CG 4.35Å; V166-Y168 VanDerWaalsContact CG1-CZ 3.45Å; Y168-A170 PolarHBondContact O-N 2.92Å
169	K	84.2	Confident	88.4	Confident	98 Å²	98	29 Å²	29	43%	0.426	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	39.7	178.5	-52.1	-58.1	-174.6	-179.3	0	112.1	F85 R86 V154 G171	F85-K169 WeakPolarHBondContact O-CD 3.35Å; R86-K169 PolarHBondContact O-N 2.97Å; V154-K169 HydrophobicContact CB-CG 4.44Å; K169-G171 PolarHBondContact O-N 2.79Å; K169-G171 VanDerWaalsContact O-N 3.14Å
170	A	86.8	Confident	88.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.			trans	-56.9	116.5	-179	0	0	0	0	0	111	Y82 P84 F85 R86 V88 I167 Y168 V174	Y82-A170 HydrophobicContact CD2-CB 3.82Å; Y82-A170 HydrophobicContact CE2-CB 3.59Å; P84-A170 CarbonylContact C-O 3.54Å; P84-A170 VanDerWaalsContact CA-O 3.31Å; P84-A170 WeakPolarHBondContact CA-O 3.44Å; F85-A170 PolarHBondContact N-O 3.29Å; R86-A170 PolarHBondContact O-N 3.34Å; R86-A170 VanDerWaalsContact O-N 3.08Å; V88-A170 HydrophobicContact CG2-CB 3.59Å; I167-A170 HydrophobicContact CB-CB 4.32Å; I167-A170 HydrophobicContact CG2-CB 3.91Å; Y168-A170 PolarHBondContact O-N 2.92Å; A170-V174 HydrophobicContact CB-CG2 3.69Å
171	G	84.9	Confident	89.1	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.01	14%	0.136	C	C	.	.			trans	-101	-158.9	175.8	0	0	0	0	0	113	Y82 K169 E173 V174	Y82-G171 WeakPolarHBondContact CE2-O 3.41Å; Y82-G171 PolarHBondContact OH-O 3.5Å; K169-G171 PolarHBondContact O-N 2.79Å; K169-G171 VanDerWaalsContact O-N 3.14Å; G171-E173 VanDerWaalsContact C-N 3.31Å; G171-E173 VanDerWaalsContact CA-OE1 3.3Å; G171-E173 WeakPolarHBondContact CA-OE1 3.42Å; G171-E173 PolarHBondContact N-OE1 2.88Å; G171-V174 WeakPolarHBondContact O-CG2 3.12Å
172	L	83.5	Confident	89.6	Confident	74 Å²	74	23.6 Å²	23.6	39%	0.387	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-74.5	-27.9	175.8	-59.3	175.3	0	0	0	111.5	V174 Q175 A197	L172-V174 PolarHBondContact O-N 2.78Å; L172-Q175 WeakPolarHBondContact O-CB 3.44Å; L172-Q175 WeakPolarHBondContact O-CG 3.17Å; L172-Q175 PolarHBondContact O-N 3.17Å; L172-A197 HydrophobicContact CD2-CB 3.6Å
173	E	87	Confident	90	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.042	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18.8	-179.8	64.5	-79.7	173.1	0	0	114.5	F138 A141 F142 Q145 R153 P156 G171	F138-E173 WeakPolarHBondContact CD1-O 3.24Å; A141-E173 HydrophobicContact CB-CB 3.79Å; F142-E173 HydrophobicContact CB-CG 4.02Å; Q145-E173 PolarHBondContact OE1-OE2 3.47Å; R153-E173 IonicContact CZ-OE2 2.87Å; R153-E173 IonicContact NH1-OE1 3.5Å; R153-E173 IonicContact NH1-OE2 3.77Å; R153-E173 PolarHBondContact NH1-OE2 3.22Å; R153-E173 IonicContact NH2-OE2 3.99Å; R153-E173 PolarHBondContact NH2-OE2 2.83Å; P156-E173 VanDerWaalsContact CD-OE1 3.3Å; P156-E173 WeakPolarHBondContact CD-OE1 3.21Å; P156-E173 HydrophobicContact CG-CG 3.92Å; P156-E173 WeakPolarHBondContact CG-OE1 3.08Å; G171-E173 VanDerWaalsContact C-N 3.31Å; G171-E173 VanDerWaalsContact CA-OE1 3.3Å; G171-E173 WeakPolarHBondContact CA-OE1 3.42Å; G171-E173 PolarHBondContact N-OE1 2.88Å
174	V	91.7	Very high	90.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-98.2	7	178.4	-50.5	0	0	0	0	113.1	Y82 F138 P156 F158 I167 A170 G171 L172 G176 Y178	Y82-V174 HydrophobicContact CE2-CG2 4.28Å; Y82-V174 VanDerWaalsContact OH-CG2 3.29Å; Y82-V174 WeakPolarHBondContact OH-CG2 3.45Å; F138-V174 HydrophobicContact CD1-CG1 4.3Å; P156-V174 HydrophobicContact CB-CG1 3.64Å; P156-V174 HydrophobicContact CG-CG1 3.72Å; F158-V174 HydrophobicContact CE1-CG1 4.34Å; F158-V174 HydrophobicContact CE2-CG1 4.3Å; F158-V174 HydrophobicContact CZ-CB 4.27Å; F158-V174 HydrophobicContact CZ-CG1 3.6Å; I167-V174 HydrophobicContact CG2-CB 4.41Å; I167-V174 HydrophobicContact CG2-CG1 4.16Å; I167-V174 HydrophobicContact CG2-CG2 4.19Å; A170-V174 HydrophobicContact CB-CG2 3.69Å; G171-V174 WeakPolarHBondContact O-CG2 3.12Å; L172-V174 PolarHBondContact O-N 2.78Å; V174-G176 PolarHBondContact O-N 3.27Å; V174-Y178 WeakPolarHBondContact O-CE2 3.3Å; V174-Y178 PolarHBondContact O-OH 2.83Å
175	Q	91.2	Very high	90.3	Very high	51 Å²	51	28.1 Å²	28.1	24%	0.238	14%	0.137	C	C	.	.			trans	-67.3	134	172.9	-68.9	-173.7	66	0	0	110.4	Y82 Y109 L112 L172 L195 A197	Y82-Q175 HydrophobicContact CE1-CG 4.44Å; Y82-Q175 VanDerWaalsContact OH-CG 3.23Å; Y82-Q175 WeakPolarHBondContact OH-CG 3.16Å; Y109-Q175 PolarHBondContact OH-O 3.46Å; L112-Q175 HydrophobicContact CD1-CB 4.27Å; L172-Q175 WeakPolarHBondContact O-CB 3.44Å; L172-Q175 WeakPolarHBondContact O-CG 3.17Å; L172-Q175 PolarHBondContact O-N 3.17Å; Q175-L195 WeakPolarHBondContact CA-O 2.91Å; Q175-A197 HydrophobicContact CG-CB 3.82Å
176	G	92.8	Very high	90.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-167.4	-176.4	0	0	0	0	0	113.3	V174 L195	V174-G176 PolarHBondContact O-N 3.27Å; G176-L195 PolarHBondContact N-O 2.85Å; G176-L195 PolarHBondContact O-N 3.37Å
177	V	93.5	Very high	90.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.2	178.5	-163.3	0	0	0	0	109.5	Y109 S110 L112 W122 Y128 A192 Y193 L194	Y109-V177 CarbonylContact C-O 3.59Å; Y109-V177 WeakPolarHBondContact CA-O 3.42Å; S110-V177 PolarHBondContact N-O 3.38Å; S110-V177 PolarHBondContact O-N 3.38Å; L112-V177 HydrophobicContact CD2-CG2 4.39Å; W122-V177 HydrophobicContact CB-CG1 4.09Å; W122-V177 HydrophobicContact CD2-CG2 4.37Å; W122-V177 HydrophobicContact CG-CG1 4.18Å; W122-V177 HydrophobicContact CG-CG2 4.07Å; Y128-V177 HydrophobicContact CE1-CB 4.35Å; Y128-V177 HydrophobicContact CE1-CG1 4.26Å; Y128-V177 WeakPolarHBondContact CE1-O 3.41Å; Y128-V177 WeakPolarHBondContact OH-CG1 3.29Å; V177-A192 HydrophobicContact CG1-CB 3.79Å; V177-Y193 CarbonylContact C-O 3.54Å; V177-Y193 VanDerWaalsContact CA-O 3.27Å; V177-Y193 WeakPolarHBondContact CA-O 3.42Å; V177-L194 HydrophobicContact CG2-CD1 4.19Å
178	Y	95.5	Very high	89.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.9	-176.5	-69.2	-94.9	0	0	0	110.3	I90 R108 Y109 I131 F158 L165 I167 V174 A192 Y193 L195	I90-Y178 HydrophobicContact CD1-CG 4.4Å; R108-Y178 WeakPolarHBondContact O-CA 3.3Å; Y109-Y178 HydrophobicContact CD2-CD1 4.23Å; Y109-Y178 HydrophobicContact CD2-CD2 4.31Å; Y109-Y178 AromaticContact CD2-CE1 3.67Å; Y109-Y178 HydrophobicContact CD2-CE1 3.67Å; Y109-Y178 AromaticContact CD2-CE2 3.76Å; Y109-Y178 HydrophobicContact CD2-CE2 3.76Å; Y109-Y178 AromaticContact CD2-CZ 3.41Å; Y109-Y178 VanDerWaalsContact CD2-CZ 3.41Å; Y109-Y178 HydrophobicContact CE2-CE2 4Å; Y109-Y178 AromaticContact CE2-CZ 3.84Å; Y109-Y178 HydrophobicContact CG-CE1 4.39Å; I131-Y178 HydrophobicContact CD1-CD1 3.82Å; I131-Y178 HydrophobicContact CD1-CE1 3.74Å; I131-Y178 HydrophobicContact CG1-CE1 4.36Å; F158-Y178 HydrophobicContact CE1-CE1 4.48Å; L165-Y178 HydrophobicContact CD2-CD1 3.71Å; L165-Y178 HydrophobicContact CD2-CE1 4.02Å; I167-Y178 HydrophobicContact CD1-CE1 4.22Å; V174-Y178 WeakPolarHBondContact O-CE2 3.3Å; V174-Y178 PolarHBondContact O-OH 2.83Å; Y178-A192 CarbonylContact O-C 3.56Å; Y178-A192 WeakPolarHBondContact O-CA 3.33Å; Y178-Y193 PolarHBondContact N-O 3.07Å; Y178-Y193 PolarHBondContact O-N 3.12Å; Y178-L195 HydrophobicContact CD2-CB 4.02Å; Y178-L195 HydrophobicContact CD2-CD1 4.16Å; Y178-L195 HydrophobicContact CD2-CD2 4.21Å; Y178-L195 HydrophobicContact CD2-CG 4.37Å; Y178-L195 HydrophobicContact CE2-CB 3.88Å; Y178-L195 HydrophobicContact CE2-CD2 3.81Å; Y178-L195 HydrophobicContact CE2-CG 4.31Å
179	N	93.8	Very high	90.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.8	172.9	166.7	-109.3	0	0	0	110.1	R108 Y128 I189 W191	R108-N179 HydrophobicContact CG-CB 4.14Å; R108-N179 WeakPolarHBondContact CG-O 3.44Å; R108-N179 VanDerWaalsContact CZ-OD1 3.24Å; R108-N179 PolarHBondContact N-O 3.06Å; R108-N179 PolarHBondContact NE-OD1 2.9Å; R108-N179 PolarHBondContact NH2-OD1 2.85Å; R108-N179 PolarHBondContact O-N 3.14Å; Y128-N179 HydrophobicContact CD1-CB 4.36Å; Y128-N179 HydrophobicContact CE1-CB 3.89Å; N179-I189 HydrophobicContact CB-CG2 4.35Å; N179-W191 PolarHBondContact ND2-O 3.48Å
180	C	94.1	Very high	90.2	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.6	168.3	-171.9	0	0	0	0	110.3	C92 R106 W107	C92-C180 HydrophobicContact CB-CB 3.7Å; C92-C180 WeakPolarHBondContact CB-SG 3.29Å; C92-C180 WeakPolarHBondContact SG-CB 3.41Å; C92-C180 CovalentContact SG-SG 2.02Å; C92-C180 PolarHBondContact SG-SG 2.54Å; R106-C180 WeakPolarHBondContact O-CA 3.31Å; W107-C180 HydrophobicContact CD2-CB 4.15Å; W107-C180 HydrophobicContact CE3-CB 4.04Å; W107-C180 HydrophobicContact CH2-CB 3.89Å; W107-C180 HydrophobicContact CZ2-CB 3.99Å; W107-C180 HydrophobicContact CZ3-CB 3.91Å
181	Y	93.1	Very high	90.2	Very high	22 Å²	22	34.5 Å²	34.5	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	166	-178.3	75.6	-72.6	0	0	0	111.9	K105 R106 R108 D130 Q186	K105-Y181 CarbonylContact C-O 3.57Å; K105-Y181 WeakPolarHBondContact CA-O 3.32Å; R106-Y181 HydrophobicContact CB-CD1 4.18Å; R106-Y181 HydrophobicContact CB-CE1 3.66Å; R106-Y181 PolarHBondContact N-O 2.87Å; R106-Y181 VanDerWaalsContact O-CD1 3.27Å; R106-Y181 WeakPolarHBondContact O-CD1 3.09Å; R106-Y181 PolarHBondContact O-N 3.38Å; R108-Y181 HydrophobicContact CB-CD1 4.04Å; R108-Y181 HydrophobicContact CB-CE1 3.67Å; R108-Y181 HydrophobicContact CG-CD1 3.64Å; R108-Y181 HydrophobicContact CG-CE1 3.82Å; D130-Y181 PolarHBondContact OD2-OH 3.2Å; D130-Y181 VanDerWaalsContact OD2-OH 3.12Å; Y181-Q186 HydrophobicContact CD2-CB 4.17Å; Y181-Q186 HydrophobicContact CD2-CG 4.2Å; Y181-Q186 HydrophobicContact CE2-CG 4.18Å
182	D	91.6	Very high	90.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.184	C	C	.	.			trans	-132.3	178.2	168.3	58.6	42.5	0	0	0	109.9	N101 K103 M104 K105 S184 T185 Q186	N101-D182 PolarHBondContact ND2-OD2 2.87Å; K103-D182 HydrophobicContact CB-CB 3.95Å; M104-D182 WeakPolarHBondContact O-CB 3.44Å; K105-D182 HydrophobicContact CD-CB 4.17Å; K105-D182 IonicContact NZ-OD2 2.7Å; K105-D182 PolarHBondContact NZ-OD2 3.19Å; D182-S184 PolarHBondContact O-N 3.31Å; D182-S184 VanDerWaalsContact O-N 3.16Å; D182-S184 WeakPolarHBondContact OD1-CB 3.17Å; D182-S184 PolarHBondContact OD1-N 3Å; D182-S184 PolarHBondContact OD1-OG 2.82Å; D182-T185 PolarHBondContact N-OG1 2.61Å; D182-T185 CarbonylContact O-C 3.59Å; D182-T185 PolarHBondContact O-N 3.14Å; D182-T185 PolarHBondContact O-OG1 3.45Å; D182-T185 WeakPolarHBondContact OD1-CB 2.81Å; D182-T185 WeakPolarHBondContact OD1-CG2 3.43Å; D182-T185 PolarHBondContact OD1-N 2.78Å; D182-T185 PolarHBondContact OD1-OG1 2.82Å; D182-Q186 PolarHBondContact O-N 3.41Å; D182-Q186 VanDerWaalsContact O-N 3.12Å
183	E	89.2	Confident	91	Very high	136 Å²	136	31.4 Å²	31.4	64%	0.636	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.9	-178.3	-63.5	-179.9	173	0	0	113.8	R106	R106-E183 IonicContact NH2-OE1 3.86Å
184	S	88.8	Confident	91.3	Very high	57 Å²	57	31.2 Å²	31.2	40%	0.399	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.5	176.1	22.5	0	0	0	0	113.7	N101 K103 D182	N101-S184 PolarHBondContact ND2-OG 3.24Å; K103-S184 WeakPolarHBondContact CD-OG 3.07Å; K103-S184 VanDerWaalsContact NZ-CB 3.33Å; K103-S184 PolarHBondContact NZ-OG 2.88Å; K103-S184 VanDerWaalsContact NZ-OG 3.14Å; D182-S184 PolarHBondContact O-N 3.31Å; D182-S184 VanDerWaalsContact O-N 3.16Å; D182-S184 WeakPolarHBondContact OD1-CB 3.17Å; D182-S184 PolarHBondContact OD1-N 3Å; D182-S184 PolarHBondContact OD1-OG 2.82Å
185	T	89.5	Confident	91.3	Very high	15 Å²	15	31.2 Å²	31.2	9%	0.092	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	11.8	-165.9	56.2	0	0	0	0	113.4	R98 D182 S187 N188	R98-T185 HydrophobicContact CG-CG2 3.76Å; R98-T185 VanDerWaalsContact CZ-CB 3.42Å; R98-T185 VanDerWaalsContact CZ-CG2 3.49Å; D182-T185 PolarHBondContact N-OG1 2.61Å; D182-T185 CarbonylContact O-C 3.59Å; D182-T185 PolarHBondContact O-N 3.14Å; D182-T185 PolarHBondContact O-OG1 3.45Å; D182-T185 WeakPolarHBondContact OD1-CB 2.81Å; D182-T185 WeakPolarHBondContact OD1-CG2 3.43Å; D182-T185 PolarHBondContact OD1-N 2.78Å; D182-T185 PolarHBondContact OD1-OG1 2.82Å; T185-S187 PolarHBondContact O-N 3.3Å; T185-N188 PolarHBondContact O-N 2.91Å; T185-N188 VanDerWaalsContact O-N 3.08Å; T185-N188 VanDerWaalsContact O-O 3.09Å
186	Q	89.6	Confident	91.2	Very high	118 Å²	118	29.8 Å²	29.8	55%	0.551	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-37	177	-167.7	174.8	3	0	0	112.6	R108 Y181 D182	R108-Q186 PolarHBondContact NH1-O 3.46Å; R108-Q186 PolarHBondContact NH2-O 3.32Å; Y181-Q186 HydrophobicContact CD2-CB 4.17Å; Y181-Q186 HydrophobicContact CD2-CG 4.2Å; Y181-Q186 HydrophobicContact CE2-CG 4.18Å; D182-Q186 PolarHBondContact O-N 3.41Å; D182-Q186 VanDerWaalsContact O-N 3.12Å
187	S	90.7	Very high	90.8	Very high	96 Å²	96	30.2 Å²	30.2	67%	0.671	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.9	179.9	57	0	0	0	0	115	P125 T185	P125-S187 VanDerWaalsContact CG-O 3.23Å; P125-S187 WeakPolarHBondContact CG-O 3.44Å; T185-S187 PolarHBondContact O-N 3.3Å
188	N	89.6	Confident	89.8	Confident	80 Å²	80	33.3 Å²	33.3	43%	0.428	18%	0.179	S	C	.	.			trans	-123.1	103	-174.9	-175.1	3.9	0	0	0	110.2	R98 T185	R98-N188 PolarHBondContact NH2-O 2.81Å; T185-N188 PolarHBondContact O-N 2.91Å; T185-N188 VanDerWaalsContact O-N 3.08Å; T185-N188 VanDerWaalsContact O-O 3.09Å
189	I	90.1	Very high	88.1	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.062	21%	0.206	C	C	.	.			trans	-88.7	117.5	173.5	-54.5	-170.1	0	0	0	107.6	R108 F123 P125 Y128 N179	R108-I189 VanDerWaalsContact NH2-CG1 3.26Å; F123-I189 HydrophobicContact CB-CB 4.42Å; F123-I189 HydrophobicContact CD1-CB 3.81Å; F123-I189 HydrophobicContact CD1-CG2 3.51Å; F123-I189 WeakPolarHBondContact CD1-O 3.41Å; F123-I189 HydrophobicContact CE1-CG2 3.93Å; F123-I189 HydrophobicContact CG-CG2 4.46Å; P125-I189 HydrophobicContact CG-CG1 4.47Å; Y128-I189 HydrophobicContact CD2-CD1 3.56Å; Y128-I189 HydrophobicContact CE2-CD1 3.28Å; Y128-I189 HydrophobicContact CG-CD1 4.45Å; N179-I189 HydrophobicContact CB-CG2 4.35Å
190	Q	86.7	Confident	85.9	Confident	34 Å²	34	37.6 Å²	37.6	16%	0.159	21%	0.213	C	C	.	.			trans	-102.2	-24	173.3	-69.5	-173.7	11.9	0	0	112.8	D95	D95-Q190 PolarHBondContact OD2-NE2 3.17Å; D95-Q190 PolarHBondContact OD2-OE1 2.77Å; D95-Q190 VanDerWaalsContact OD2-OE1 3.12Å
191	W	88.2	Confident	83.4	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.027	25%	0.25	C	S	.	.			trans	-142	136.4	-172.9	-59.3	107.4	0	0	0	109.8	D69 E71 K72 G76 L93 N179	D69-W191 HydrophobicContact CB-CH2 4.29Å; D69-W191 HydrophobicContact CB-CZ2 4.21Å; D69-W191 WeakPolarHBondContact O-CZ2 3.32Å; E71-W191 WeakPolarHBondContact O-CH2 3.48Å; K72-W191 HydrophobicContact CB-CH2 3.81Å; K72-W191 HydrophobicContact CB-CZ2 4.29Å; K72-W191 HydrophobicContact CB-CZ3 4.18Å; K72-W191 HydrophobicContact CD-CH2 4.21Å; K72-W191 HydrophobicContact CD-CZ2 3.82Å; K72-W191 HydrophobicContact CG-CH2 3.5Å; K72-W191 VanDerWaalsContact CG-CH2 3.5Å; K72-W191 HydrophobicContact CG-CZ2 3.48Å; K72-W191 VanDerWaalsContact CG-CZ2 3.48Å; K72-W191 HydrophobicContact CG-CZ3 4.26Å; G76-W191 CarbonylContact O-C 3.5Å; G76-W191 VanDerWaalsContact O-CA 3.28Å; G76-W191 WeakPolarHBondContact O-CA 3.32Å; L93-W191 HydrophobicContact CB-CB 4.43Å; L93-W191 HydrophobicContact CB-CD2 4.36Å; L93-W191 HydrophobicContact CB-CG 4.08Å; L93-W191 HydrophobicContact CD1-CD2 4.38Å; L93-W191 HydrophobicContact CD1-CE3 4.28Å; L93-W191 HydrophobicContact CD1-CZ3 4.46Å; N179-W191 PolarHBondContact ND2-O 3.48Å
192	A	91.9	Very high	80.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.2	171.9	0	0	0	0	0	109.9	G76 V77 K78 V177 Y178	G76-A192 PolarHBondContact O-N 2.92Å; V77-A192 CarbonylContact C-O 3.54Å; V77-A192 VanDerWaalsContact CA-O 3.31Å; V77-A192 WeakPolarHBondContact CA-O 3.26Å; K78-A192 PolarHBondContact N-O 3.31Å; V177-A192 HydrophobicContact CG1-CB 3.79Å; Y178-A192 CarbonylContact O-C 3.56Å; Y178-A192 WeakPolarHBondContact O-CA 3.33Å
193	Y	93.5	Very high	78.2	Confident	10 Å²	10	49 Å²	49	4%	0.039	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.4	169.8	-75.9	-81.2	0	0	0	109.3	K78 L80 I90 P91 L93 W107 V177 Y178	K78-Y193 HydrophobicContact CB-CD1 3.67Å; K78-Y193 HydrophobicContact CB-CE1 3.7Å; K78-Y193 HydrophobicContact CD-CE1 3.96Å; K78-Y193 HydrophobicContact CG-CE1 4.36Å; K78-Y193 CarbonylContact O-C 3.6Å; K78-Y193 VanDerWaalsContact O-CA 3.26Å; K78-Y193 WeakPolarHBondContact O-CA 3.09Å; L80-Y193 HydrophobicContact CD1-CD1 3.38Å; L80-Y193 HydrophobicContact CD1-CE1 3.76Å; L80-Y193 HydrophobicContact CD1-CG 4.2Å; L80-Y193 HydrophobicContact CG-CD1 3.8Å; L80-Y193 HydrophobicContact CG-CE1 4.24Å; I90-Y193 HydrophobicContact CG2-CD1 3.85Å; I90-Y193 HydrophobicContact CG2-CD2 3.35Å; I90-Y193 HydrophobicContact CG2-CE1 4.03Å; I90-Y193 HydrophobicContact CG2-CE2 3.56Å; I90-Y193 HydrophobicContact CG2-CG 3.47Å; I90-Y193 VanDerWaalsContact CG2-CG 3.47Å; P91-Y193 WeakPolarHBondContact CG-OH 3.39Å; P91-Y193 WeakPolarHBondContact O-CE2 3.33Å; P91-Y193 VanDerWaalsContact O-CZ 3.28Å; P91-Y193 PolarHBondContact O-OH 2.85Å; L93-Y193 HydrophobicContact CD1-CE2 4.3Å; L93-Y193 WeakPolarHBondContact CD1-OH 3.1Å; L93-Y193 HydrophobicContact CG-CE2 4.17Å; L93-Y193 WeakPolarHBondContact CG-OH 3.2Å; W107-Y193 HydrophobicContact CH2-CD2 4.23Å; W107-Y193 HydrophobicContact CH2-CE2 4.13Å; W107-Y193 HydrophobicContact CZ3-CD2 4.1Å; W107-Y193 HydrophobicContact CZ3-CE2 4.44Å; V177-Y193 CarbonylContact C-O 3.54Å; V177-Y193 VanDerWaalsContact CA-O 3.27Å; V177-Y193 WeakPolarHBondContact CA-O 3.42Å; Y178-Y193 PolarHBondContact N-O 3.07Å; Y178-Y193 PolarHBondContact O-N 3.12Å
194	L	91.8	Very high	75.5	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	107.7	170.2	174.6	60.4	0	0	0	108.6	V77 K78 V79 L80 L112 W117 W122 V177 I196	V77-L194 HydrophobicContact CG1-CB 4.08Å; K78-L194 PolarHBondContact O-N 3.35Å; V79-L194 CarbonylContact C-O 3.56Å; V79-L194 WeakPolarHBondContact CA-O 3.08Å; V79-L194 HydrophobicContact CG1-CD2 4.33Å; V79-L194 HydrophobicContact CG1-CG 4.4Å; V79-L194 HydrophobicContact CG2-CB 4.3Å; V79-L194 HydrophobicContact CG2-CD2 4.1Å; L80-L194 PolarHBondContact N-O 3.36Å; L112-L194 HydrophobicContact CD1-CD1 3.96Å; L112-L194 HydrophobicContact CD2-CD1 3.64Å; L112-L194 HydrophobicContact CG-CD1 4.18Å; W117-L194 HydrophobicContact CE3-CD2 4.45Å; W117-L194 HydrophobicContact CZ3-CD2 3.87Å; W122-L194 HydrophobicContact CH2-CD2 3.63Å; W122-L194 HydrophobicContact CZ2-CD2 4.06Å; W122-L194 HydrophobicContact CZ3-CD2 4.2Å; V177-L194 HydrophobicContact CG2-CD1 4.19Å; L194-I196 HydrophobicContact CD1-CG1 4.29Å; L194-I196 HydrophobicContact CD2-CD1 3.87Å; L194-I196 HydrophobicContact CD2-CG1 4.39Å; L194-I196 HydrophobicContact CG-CD1 3.97Å; L194-I196 HydrophobicContact CG-CG1 3.95Å
195	L	93.2	Very high	73.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.7	178.2	-112.6	72.8	0	0	0	110.6	L80 Y82 V88 I90 I167 Q175 G176 Y178	L80-L195 HydrophobicContact CB-CD1 3.84Å; L80-L195 HydrophobicContact CB-CG 4.44Å; L80-L195 HydrophobicContact CD1-CD1 3.8Å; L80-L195 HydrophobicContact CG-CD1 4.37Å; L80-L195 WeakPolarHBondContact O-CA 3.28Å; Y82-L195 HydrophobicContact CD1-CD2 4.26Å; Y82-L195 HydrophobicContact CD1-CG 4.07Å; Y82-L195 HydrophobicContact CE1-CB 4.06Å; Y82-L195 HydrophobicContact CE1-CD2 4.02Å; Y82-L195 HydrophobicContact CE1-CG 3.99Å; V88-L195 HydrophobicContact CG1-CD2 4.08Å; V88-L195 HydrophobicContact CG1-CG 4.49Å; I90-L195 HydrophobicContact CD1-CD1 3.44Å; I90-L195 VanDerWaalsContact CD1-CD1 3.44Å; I90-L195 HydrophobicContact CD1-CD2 3.73Å; I90-L195 HydrophobicContact CD1-CG 4.24Å; I90-L195 HydrophobicContact CG1-CD1 4Å; I167-L195 HydrophobicContact CD1-CD2 3.72Å; Q175-L195 WeakPolarHBondContact CA-O 2.91Å; G176-L195 PolarHBondContact N-O 2.85Å; G176-L195 PolarHBondContact O-N 3.37Å; Y178-L195 HydrophobicContact CD2-CB 4.02Å; Y178-L195 HydrophobicContact CD2-CD1 4.16Å; Y178-L195 HydrophobicContact CD2-CD2 4.21Å; Y178-L195 HydrophobicContact CD2-CG 4.37Å; Y178-L195 HydrophobicContact CE2-CB 3.88Å; Y178-L195 HydrophobicContact CE2-CD2 3.81Å; Y178-L195 HydrophobicContact CE2-CG 4.31Å
196	I	87.6	Confident	70.8	Confident	22 Å²	22	51.2 Å²	51.2	11%	0.113	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.5	179.4	-57.9	173.7	0	0	0	108.9	V79 L80 Y81 Y82 W117 L194 M198	V79-I196 HydrophobicContact CG1-CD1 3.85Å; V79-I196 HydrophobicContact CG1-CG1 4.48Å; L80-I196 PolarHBondContact O-N 3.38Å; Y81-I196 VanDerWaalsContact CA-O 3.28Å; Y81-I196 WeakPolarHBondContact CA-O 3.02Å; Y81-I196 HydrophobicContact CD1-CB 3.83Å; Y81-I196 HydrophobicContact CD1-CG2 3.97Å; Y81-I196 HydrophobicContact CE1-CB 3.95Å; Y81-I196 HydrophobicContact CE1-CD1 3.84Å; Y81-I196 HydrophobicContact CE1-CG1 4.48Å; Y81-I196 HydrophobicContact CE1-CG2 3.95Å; Y82-I196 VanDerWaalsContact CD1-O 3.29Å; Y82-I196 WeakPolarHBondContact CD1-O 3.01Å; Y82-I196 VanDerWaalsContact CE1-C 3.45Å; Y82-I196 PolarHBondContact N-O 3.24Å; W117-I196 HydrophobicContact CH2-CD1 3.83Å; W117-I196 HydrophobicContact CZ3-CD1 3.99Å; L194-I196 HydrophobicContact CD1-CG1 4.29Å; L194-I196 HydrophobicContact CD2-CD1 3.87Å; L194-I196 HydrophobicContact CD2-CG1 4.39Å; L194-I196 HydrophobicContact CG-CD1 3.97Å; L194-I196 HydrophobicContact CG-CG1 3.95Å; I196-M198 PolarHBondContact O-N 2.93Å
197	A	84	Confident	68.6	Low	9 Å²	9	47.6 Å²	47.6	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129	173.5	0	0	0	0	0	109	Y82 L172 Q175 A199	Y82-A197 HydrophobicContact CE1-CB 4.19Å; Y82-A197 HydrophobicContact CE2-CB 3.84Å; Y82-A197 CarbonylContact O-C 3.53Å; Y82-A197 WeakPolarHBondContact O-CA 3.45Å; L172-A197 HydrophobicContact CD2-CB 3.6Å; Q175-A197 HydrophobicContact CG-CB 3.82Å; A197-A199 PolarHBondContact O-N 3.4Å
198	M	73.3	Confident	66	Low	67 Å²	67	46.7 Å²	46.7	33%	0.33	28%	0.277	S	S	.	.			trans	-68.4	114	167.3	-65.6	-170.6	171.9	0	0	108.3	Y81 Y82 W83 P84 I196	Y81-M198 HydrophobicContact CG-CE 4.09Å; Y82-M198 PolarHBondContact O-N 3.35Å; W83-M198 HydrophobicContact CD2-CB 4.2Å; W83-M198 HydrophobicContact CD2-SD 4.11Å; W83-M198 VanDerWaalsContact CE2-SD 3.57Å; W83-M198 HydrophobicContact CE3-CB 3.96Å; W83-M198 HydrophobicContact CH2-CB 4.37Å; W83-M198 HydrophobicContact CH2-SD 4.28Å; W83-M198 HydrophobicContact CZ2-SD 3.68Å; W83-M198 HydrophobicContact CZ3-CB 4.05Å; P84-M198 WeakPolarHBondContact CD-O 2.96Å; I196-M198 PolarHBondContact O-N 2.93Å
199	A	60.5	Low	63.4	Low	70 Å²	70	47 Å²	47	58%	0.579	28%	0.277	S	S	*	.			trans	-80.7	123.8	159.3	0	0	0	0	0	106.7	A197	A197-A199 PolarHBondContact O-N 3.4Å
200	P	47.9	Very low	60.9	Low	23 Å²	23	48.5 Å²	48.5	15%	0.149	29%	0.289	C	S	.	.			trans	-54.5	145.8	167.9	24.6	-31.5	0	0	0	107.9	W83 V202 P313	W83-P200 HydrophobicContact CZ3-CB 4.17Å; P200-V202 PolarHBondContact O-N 2.91Å; P200-P313 WeakPolarHBondContact CG-O 3.36Å
201	P	41.3	Very low	58.5	Low	127 Å²	127	52.7 Å²	52.7	83%	0.825	31%	0.309	S	S	*	.			trans	-53.3	111	169.4	23.8	-31.5	0	0	0	105.6	A203	P201-A203 VanDerWaalsContact C-N 3.33Å; P201-A203 PolarHBondContact O-N 2.61Å
202	V	40.4	Very low	56.1	Low	69 Å²	69	56.1 Å²	56.1	42%	0.418	33%	0.327	S	S	.	.			trans	-63.1	107.6	178.9	-151	0	0	0	0	103.1	P200 Q204 P205 P313	P200-V202 PolarHBondContact O-N 2.91Å; V202-Q204 PolarHBondContact O-N 2.96Å; V202-P205 HydrophobicContact CG1-CG 4.27Å; V202-P313 HydrophobicContact CB-CG 4.35Å; V202-P313 HydrophobicContact CG1-CB 4.13Å; V202-P313 HydrophobicContact CG1-CG 3.75Å; V202-P313 HydrophobicContact CG2-CB 3.89Å; V202-P313 HydrophobicContact CG2-CG 3.61Å
203	A	34.6	Very low	53.5	Low	71 Å²	71	62 Å²	62	59%	0.587	35%	0.354	S	S	*	.			trans	-54.1	104.8	157.9	0	0	0	0	0	102.3	P201 P205	P201-A203 VanDerWaalsContact C-N 3.33Å; P201-A203 PolarHBondContact O-N 2.61Å; A203-P205 VanDerWaalsContact C-N 3.27Å; A203-P205 VanDerWaalsContact O-CA 3.29Å; A203-P205 WeakPolarHBondContact O-CA 3.29Å; A203-P205 WeakPolarHBondContact O-CD 3.48Å
204	Q	32.6	Very low	50.9	Low	164 Å²	164	67 Å²	67	77%	0.766	38%	0.378	S	S	*	.			trans	-47.9	101.2	-170	-172.6	177	3.8	0	0	104.8	V202 C206	V202-Q204 PolarHBondContact O-N 2.96Å; Q204-C206 PolarHBondContact O-N 2.8Å; Q204-C206 PolarHBondContact O-SG 3.3Å; Q204-C206 VanDerWaalsContact O-SG 3.4Å
205	P	39.2	Very low	49.5	Very low	37 Å²	37	75.4 Å²	75.4	24%	0.24	41%	0.414	C	S	.	.			trans	-73.1	119.7	-165.2	32.8	-34.1	0	0	0	99.7	V202 A203 Y207	V202-P205 HydrophobicContact CG1-CG 4.27Å; A203-P205 VanDerWaalsContact C-N 3.27Å; A203-P205 VanDerWaalsContact O-CA 3.29Å; A203-P205 WeakPolarHBondContact O-CA 3.29Å; A203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-Y207 HydrophobicContact CB-CD1 3.35Å; P205-Y207 HydrophobicContact CB-CE1 3.23Å; P205-Y207 HydrophobicContact CB-CG 4.36Å; P205-Y207 HydrophobicContact CG-CD1 3.62Å; P205-Y207 HydrophobicContact CG-CE1 3.1Å; P205-Y207 HydrophobicContact CG-CE2 4.42Å; P205-Y207 HydrophobicContact CG-CG 4.42Å; P205-Y207 PolarHBondContact O-N 2.79Å
206	C	40.4	Very low	47.4	Very low	54 Å²	54	79.5 Å²	79.5	37%	0.365	44%	0.436	S	S	.	.			trans	-72.1	53.7	-168.4	-61.8	0	0	0	0	107.2	Q204 I224 F225	Q204-C206 PolarHBondContact O-N 2.8Å; Q204-C206 PolarHBondContact O-SG 3.3Å; Q204-C206 VanDerWaalsContact O-SG 3.4Å; C206-I224 CarbonylContact O-C 3.54Å; C206-F225 HydrophobicContact CB-CB 4.15Å; C206-F225 WeakPolarHBondContact CB-O 3.38Å; C206-F225 WeakPolarHBondContact O-CA 3.37Å; C206-F225 WeakPolarHBondContact O-CB 3.25Å; C206-F225 WeakPolarHBondContact O-CD2 3.43Å; C206-F225 PolarHBondContact O-N 2.86Å
207	Y	42.8	Very low	44.8	Very low	42 Å²	42	80.4 Å²	80.4	17%	0.165	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.3	-177.9	69.5	-118.7	0	0	0	110.6	P205 M209 T222 N223 I224 V311	P205-Y207 HydrophobicContact CB-CD1 3.35Å; P205-Y207 HydrophobicContact CB-CE1 3.23Å; P205-Y207 HydrophobicContact CB-CG 4.36Å; P205-Y207 HydrophobicContact CG-CD1 3.62Å; P205-Y207 HydrophobicContact CG-CE1 3.1Å; P205-Y207 HydrophobicContact CG-CE2 4.42Å; P205-Y207 HydrophobicContact CG-CG 4.42Å; P205-Y207 PolarHBondContact O-N 2.79Å; Y207-M209 HydrophobicContact CD2-CG 3.97Å; Y207-M209 HydrophobicContact CE2-CG 3.8Å; Y207-M209 HydrophobicContact CE2-SD 3.98Å; Y207-T222 HydrophobicContact CD1-CG2 4.18Å; Y207-T222 HydrophobicContact CD2-CG2 3.56Å; Y207-T222 HydrophobicContact CE2-CG2 4.15Å; Y207-T222 HydrophobicContact CG-CG2 3.64Å; Y207-N223 CarbonylContact C-O 3.55Å; Y207-N223 WeakPolarHBondContact CA-O 3.39Å; Y207-N223 WeakPolarHBondContact CB-O 3.38Å; Y207-I224 HydrophobicContact CD1-CD1 4.35Å; Y207-I224 HydrophobicContact CD1-CG1 4.28Å; Y207-I224 HydrophobicContact CG-CG1 4.29Å; Y207-V311 PolarHBondContact OH-O 2.9Å
208	T	37.1	Very low	42.6	Very low	77 Å²	77	86.2 Å²	86.2	47%	0.472	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127	166.7	60	0	0	0	0	107.9	N223 F225	T208-N223 PolarHBondContact N-O 3.05Å; T208-N223 PolarHBondContact O-N 3.2Å; T208-F225 HydrophobicContact CG2-CE2 3.91Å; T208-F225 WeakPolarHBondContact OG1-CE2 3.39Å
209	M	33.6	Very low	40.7	Very low	87 Å²	87	88.3 Å²	88.3	43%	0.429	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123	165.8	-76.5	179	66.3	0	0	108	Y207 H220 Q221 T222	Y207-M209 HydrophobicContact CD2-CG 3.97Å; Y207-M209 HydrophobicContact CE2-CG 3.8Å; Y207-M209 HydrophobicContact CE2-SD 3.98Å; M209-H220 HydrophobicContact CE-CB 4.36Å; M209-Q221 CarbonylContact C-O 3.48Å; M209-Q221 VanDerWaalsContact CA-O 3.31Å; M209-Q221 WeakPolarHBondContact CA-O 3.44Å; M209-T222 HydrophobicContact CG-CG2 4.2Å
210	S	39	Very low	39.7	Very low	44 Å²	44	90.5 Å²	90.5	31%	0.308	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.9	166.4	51.7	0	0	0	0	108.9	Q221	S210-Q221 PolarHBondContact N-O 3.13Å; S210-Q221 PolarHBondContact O-N 3.18Å
211	E	36	Very low	39.3	Very low	122 Å²	122	93.7 Å²	93.7	57%	0.57	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.3	172.6	-174	167.1	-156.4	0	0	108	Y218 H220	E211-Y218 HydrophobicContact CG-CD1 4.13Å; E211-Y218 WeakPolarHBondContact OE1-CD1 3.48Å; E211-H220 IonicContact OE1-CE1 4Å
212	I	37.6	Very low	39.2	Very low	78 Å²	78	88.9 Å²	88.9	40%	0.4	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.1	176.2	-57.1	172.2	0	0	0	106.3	E214 F219	I212-E214 PolarHBondContact O-N 3.01Å; I212-F219 HydrophobicContact CB-CB 4.28Å; I212-F219 PolarHBondContact N-O 2.83Å; I212-F219 PolarHBondContact O-N 3.06Å
213	E	37.4	Very low	39	Very low	124 Å²	124	88.1 Å²	88.1	58%	0.579	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.7	171.4	-171.1	172.9	-158	0	0	108.3	Y218	E213-Y218 HydrophobicContact CB-CD1 4.47Å; E213-Y218 HydrophobicContact CB-CE1 4.38Å; E213-Y218 HydrophobicContact CG-CD1 4.38Å; E213-Y218 HydrophobicContact CG-CE1 3.97Å; E213-Y218 PolarHBondContact OE1-OH 3.31Å
214	E	38.8	Very low	39.3	Very low	116 Å²	116	86.1 Å²	86.1	54%	0.542	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.2	171.5	-164.7	-177	176.2	0	0	109.5	I212 D216 A217 F219	I212-E214 PolarHBondContact O-N 3.01Å; E214-D216 PolarHBondContact O-N 3.49Å; E214-D216 VanDerWaalsContact O-N 3.1Å; E214-A217 PolarHBondContact N-O 3.17Å; E214-A217 PolarHBondContact O-N 2.89Å; E214-F219 HydrophobicContact CB-CD2 4.1Å; E214-F219 HydrophobicContact CB-CE2 3.93Å
215	K	63	Low	39.7	Very low	181 Å²	181	84.5 Å²	84.5	79%	0.787	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-103.5	-174.4	-56	172.9	-176.8	170.7	0	111.6
216	D	48.6	Very low	39.9	Very low	86 Å²	86	84.8 Å²	84.8	46%	0.46	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	10.6	180	-56.7	-53.3	0	0	0	111.6	R23 E214	R23-D216 WeakPolarHBondContact CG-OD2 3.08Å; R23-D216 IonicContact NE-OD1 3.93Å; E214-D216 PolarHBondContact O-N 3.49Å; E214-D216 VanDerWaalsContact O-N 3.1Å
217	A	32.2	Very low	39.9	Very low	40 Å²	40	88.4 Å²	88.4	33%	0.331	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.8	-178.8	0	0	0	0	0	110.2	E214 F219	E214-A217 PolarHBondContact N-O 3.17Å; E214-A217 PolarHBondContact O-N 2.89Å; A217-F219 HydrophobicContact CB-CD2 4.18Å; A217-F219 HydrophobicContact CB-CE2 3.46Å; A217-F219 VanDerWaalsContact CB-CE2 3.46Å; A217-F219 HydrophobicContact CB-CZ 3.81Å
218	Y	37.9	Very low	39.8	Very low	132 Å²	132	91.1 Å²	91.1	52%	0.518	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.7	171.7	-63.2	-88.5	0	0	0	108	E211 E213	E211-Y218 HydrophobicContact CG-CD1 4.13Å; E211-Y218 WeakPolarHBondContact OE1-CD1 3.48Å; E213-Y218 HydrophobicContact CB-CD1 4.47Å; E213-Y218 HydrophobicContact CB-CE1 4.38Å; E213-Y218 HydrophobicContact CG-CD1 4.38Å; E213-Y218 HydrophobicContact CG-CE1 3.97Å; E213-Y218 PolarHBondContact OE1-OH 3.31Å
219	F	34.3	Very low	40	Very low	110 Å²	110	93.3 Å²	93.3	48%	0.482	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.7	173.9	-64.3	-84.7	0	0	0	108.6	I212 E214 A217	I212-F219 HydrophobicContact CB-CB 4.28Å; I212-F219 PolarHBondContact N-O 2.83Å; I212-F219 PolarHBondContact O-N 3.06Å; E214-F219 HydrophobicContact CB-CD2 4.1Å; E214-F219 HydrophobicContact CB-CE2 3.93Å; A217-F219 HydrophobicContact CB-CD2 4.18Å; A217-F219 HydrophobicContact CB-CE2 3.46Å; A217-F219 VanDerWaalsContact CB-CE2 3.46Å; A217-F219 HydrophobicContact CB-CZ 3.81Å
220	H	39.2	Very low	40.5	Very low	117 Å²	117	97.4 Å²	97.4	54%	0.542	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.6	174.5	-57.9	-65.9	0	0	0	108.9	M209 E211	M209-H220 HydrophobicContact CE-CB 4.36Å; E211-H220 IonicContact OE1-CE1 4Å
221	Q	39.6	Very low	40.6	Very low	89 Å²	89	98.6 Å²	98.6	42%	0.416	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.8	170.4	175.4	177.2	-3.3	0	0	108.8	M209 S210 N223	M209-Q221 CarbonylContact C-O 3.48Å; M209-Q221 VanDerWaalsContact CA-O 3.31Å; M209-Q221 WeakPolarHBondContact CA-O 3.44Å; S210-Q221 PolarHBondContact N-O 3.13Å; S210-Q221 PolarHBondContact O-N 3.18Å; Q221-N223 PolarHBondContact NE2-OD1 3.24Å
222	T	38.3	Very low	41.5	Very low	27 Å²	27	99.6 Å²	99.6	17%	0.166	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.1	177.7	-57.4	0	0	0	0	108.6	Y207 M209 I224 V310	Y207-T222 HydrophobicContact CD1-CG2 4.18Å; Y207-T222 HydrophobicContact CD2-CG2 3.56Å; Y207-T222 HydrophobicContact CE2-CG2 4.15Å; Y207-T222 HydrophobicContact CG-CG2 3.64Å; M209-T222 HydrophobicContact CG-CG2 4.2Å; T222-I224 HydrophobicContact CG2-CD1 4.42Å; T222-I224 HydrophobicContact CG2-CG1 4.01Å; T222-V310 HydrophobicContact CG2-CG2 4.39Å; T222-V310 WeakPolarHBondContact OG1-CG2 3.11Å
223	N	37.1	Very low	42.9	Very low	52 Å²	52	101.1 Å²	101.1	28%	0.278	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.7	177.9	-59.5	-52.7	0	0	0	108.2	Y207 T208 Q221 F225	Y207-N223 CarbonylContact C-O 3.55Å; Y207-N223 WeakPolarHBondContact CA-O 3.39Å; Y207-N223 WeakPolarHBondContact CB-O 3.38Å; T208-N223 PolarHBondContact N-O 3.05Å; T208-N223 PolarHBondContact O-N 3.2Å; Q221-N223 PolarHBondContact NE2-OD1 3.24Å; N223-F225 HydrophobicContact CB-CE2 3.85Å; N223-F225 HydrophobicContact CB-CZ 3.7Å; N223-F225 WeakPolarHBondContact O-CE2 3.39Å
224	I	40.9	Very low	43.3	Very low	30 Å²	30	96.6 Å²	96.6	15%	0.154	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.5	-178.3	-43.8	-171.5	0	0	0	110.2	C206 Y207 T222 C226 Q308 M309	C206-I224 CarbonylContact O-C 3.54Å; Y207-I224 HydrophobicContact CD1-CD1 4.35Å; Y207-I224 HydrophobicContact CD1-CG1 4.28Å; Y207-I224 HydrophobicContact CG-CG1 4.29Å; T222-I224 HydrophobicContact CG2-CD1 4.42Å; T222-I224 HydrophobicContact CG2-CG1 4.01Å; I224-C226 HydrophobicContact CG2-CB 4.43Å; I224-Q308 HydrophobicContact CB-CB 3.81Å; I224-Q308 VanDerWaalsContact CB-CD 3.44Å; I224-Q308 HydrophobicContact CB-CG 3.8Å; I224-Q308 VanDerWaalsContact CB-OE1 3.26Å; I224-Q308 HydrophobicContact CD1-CB 3.5Å; I224-Q308 VanDerWaalsContact CD1-CB 3.5Å; I224-Q308 HydrophobicContact CD1-CG 3.92Å; I224-Q308 HydrophobicContact CG1-CB 3.77Å; I224-Q308 HydrophobicContact CG1-CG 4.22Å; I224-Q308 HydrophobicContact CG2-CB 4.46Å; I224-Q308 HydrophobicContact CG2-CG 3.95Å; I224-Q308 PolarHBondContact O-OE1 3.27Å; I224-M309 WeakPolarHBondContact CD1-O 3.17Å
225	F	41.6	Very low	43.5	Very low	130 Å²	130	95.7 Å²	95.7	57%	0.57	47%	0.467	S	S	*	.			trans	-128.6	47.2	-171.1	-51.7	-78.6	0	0	0	110.1	C206 T208 N223	C206-F225 HydrophobicContact CB-CB 4.15Å; C206-F225 WeakPolarHBondContact CB-O 3.38Å; C206-F225 WeakPolarHBondContact O-CA 3.37Å; C206-F225 WeakPolarHBondContact O-CB 3.25Å; C206-F225 WeakPolarHBondContact O-CD2 3.43Å; C206-F225 PolarHBondContact O-N 2.86Å; T208-F225 HydrophobicContact CG2-CE2 3.91Å; T208-F225 WeakPolarHBondContact OG1-CE2 3.39Å; N223-F225 HydrophobicContact CB-CE2 3.85Å; N223-F225 HydrophobicContact CB-CZ 3.7Å; N223-F225 WeakPolarHBondContact O-CE2 3.39Å
226	C	43.2	Very low	42.6	Very low	42 Å²	42	94.2 Å²	94.2	28%	0.284	46%	0.457	S	S	.	.			trans	-94.9	111.3	178.3	-68	0	0	0	0	111	I224 Y228	I224-C226 HydrophobicContact CG2-CB 4.43Å; C226-Y228 HydrophobicContact CB-CD2 3.76Å; C226-Y228 HydrophobicContact CB-CE2 3.69Å
227	R	39.3	Very low	42.2	Very low	131 Å²	131	91.5 Å²	91.5	49%	0.494	45%	0.447	S	S	.	.			trans	-96.6	87.5	161.5	-82.2	-175.1	175.5	-168.8	0.9	109.6	E239	R227-E239 WeakPolarHBondContact CD-OE1 3.07Å
228	Y	40.8	Very low	42.6	Very low	98 Å²	98	96.6 Å²	96.6	38%	0.384	46%	0.463	S	S	.	.			trans	-101.1	114.8	165.9	-66.1	-72.8	0	0	0	109.1	C226	C226-Y228 HydrophobicContact CB-CD2 3.76Å; C226-Y228 HydrophobicContact CB-CE2 3.69Å
229	L	42.5	Very low	42.8	Very low	123 Å²	123	96.5 Å²	96.5	64%	0.644	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	119.4	169.5	-145.4	118.1	0	0	0	108.2	A237	L229-A237 PolarHBondContact O-N 3.49Å
230	R	42.5	Very low	43.1	Very low	173 Å²	173	96.6 Å²	96.6	65%	0.653	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.3	174.5	-173.2	-178.9	-178.5	-168.9	0	108.6	Y236	R230-Y236 HydrophobicContact CB-CD1 4.18Å; R230-Y236 HydrophobicContact CB-CE1 3.9Å; R230-Y236 HydrophobicContact CG-CE1 4.12Å
231	F	42.9	Very low	43.1	Very low	69 Å²	69	97.9 Å²	97.9	30%	0.303	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-72.3	157.9	174.5	-70.5	-67.3	0	0	0	111.3	D233 G234 N235 A237	F231-D233 WeakPolarHBondContact CB-OD1 2.94Å; F231-D233 PolarHBondContact O-N 2.97Å; F231-D233 VanDerWaalsContact O-N 3.14Å; F231-G234 PolarHBondContact O-N 3.21Å; F231-N235 PolarHBondContact N-O 2.61Å; F231-A237 HydrophobicContact CD2-CB 4.3Å; F231-A237 HydrophobicContact CE2-CB 3.27Å; F231-A237 HydrophobicContact CZ-CB 3.66Å
232	P	54.8	Low	43	Very low	143 Å²	143	102.1 Å²	102.1	93%	0.929	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.7	177.6	-25.9	35.1	0	0	0	115	G234	P232-G234 PolarHBondContact O-N 3.32Å
233	D	65.6	Low	43	Very low	111 Å²	111	105.6 Å²	105.6	59%	0.594	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-4.8	174.8	68.2	-8.3	0	0	0	113.3	F231 N235	F231-D233 WeakPolarHBondContact CB-OD1 2.94Å; F231-D233 PolarHBondContact O-N 2.97Å; F231-D233 VanDerWaalsContact O-N 3.14Å; D233-N235 VanDerWaalsContact CG-ND2 3.3Å; D233-N235 WeakPolarHBondContact OD1-CB 3.49Å; D233-N235 PolarHBondContact OD1-N 2.91Å; D233-N235 PolarHBondContact OD2-ND2 3.37Å
234	G	46.5	Very low	43	Very low	28 Å²	28	109.4 Å²	109.4	29%	0.289	54%	0.543	S	S	.	.	S	Bend	trans	93	-3.5	-179.4	0	0	0	0	0	114.9	F231 P232	F231-G234 PolarHBondContact O-N 3.21Å; P232-G234 PolarHBondContact O-N 3.32Å
235	N	42.6	Very low	42.9	Very low	98 Å²	98	114.3 Å²	114.3	52%	0.524	57%	0.57	S	S	.	*			trans	-82.6	152.2	180	-66.8	-43.9	0	0	0	112.1	F231 D233	F231-N235 PolarHBondContact N-O 2.61Å; D233-N235 VanDerWaalsContact CG-ND2 3.3Å; D233-N235 WeakPolarHBondContact OD1-CB 3.49Å; D233-N235 PolarHBondContact OD1-N 2.91Å; D233-N235 PolarHBondContact OD2-ND2 3.37Å
236	Y	43.9	Very low	42.4	Very low	150 Å²	150	116.3 Å²	116.3	59%	0.588	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.3	125.1	176.3	-65.1	-87.3	0	0	0	109.9	R230	R230-Y236 HydrophobicContact CB-CD1 4.18Å; R230-Y236 HydrophobicContact CB-CE1 3.9Å; R230-Y236 HydrophobicContact CG-CE1 4.12Å
237	A	40.2	Very low	42	Very low	29 Å²	29	118.1 Å²	118.1	24%	0.24	59%	0.587	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.3	125.2	169.7	0	0	0	0	0	110.1	L229 F231	L229-A237 PolarHBondContact O-N 3.49Å; F231-A237 HydrophobicContact CD2-CB 4.3Å; F231-A237 HydrophobicContact CE2-CB 3.27Å; F231-A237 HydrophobicContact CZ-CB 3.66Å
238	H	40	Very low	41.8	Very low	146 Å²	146	116.6 Å²	116.6	68%	0.676	59%	0.592	S	S	*	*			trans	-80.1	134.2	162.1	-162.3	-81.5	0	0	0	108.3	V240	H238-V240 VanDerWaalsContact C-N 3.27Å; H238-V240 PolarHBondContact O-N 3.31Å
239	E	42.3	Very low	41.6	Very low	130 Å²	130	117 Å²	117	61%	0.607	61%	0.605	S	S	*	*	S	Bend	trans	-69.4	59.2	-161.6	-159.1	177.1	-147.8	0	0	114.7	R227	R227-E239 WeakPolarHBondContact CD-OE1 3.07Å
240	V	41.8	Very low	41.2	Very low	113 Å²	113	119.3 Å²	119.3	69%	0.685	61%	0.612	S	S	*	*	S	Bend	trans	-100.9	-21.8	173.7	-172.2	0	0	0	0	113.2	H238	H238-V240 VanDerWaalsContact C-N 3.27Å; H238-V240 PolarHBondContact O-N 3.31Å
241	D	38.7	Very low	40.6	Very low	143 Å²	143	119 Å²	119	77%	0.765	61%	0.613	S	S	*	*	S	Bend	trans	-130.4	30.3	-167.1	-69.6	-41.2	0	0	0	117.3
242	Y	36.7	Very low	39.9	Very low	179 Å²	179	118.7 Å²	118.7	70%	0.702	62%	0.618	S	S	*	*			trans	-120.5	120.4	176	-98.4	-85.2	0	0	0	115.4
243	P	38.9	Very low	38.6	Very low	100 Å²	100	120.5 Å²	120.5	65%	0.649	61%	0.614	S	S	*	*			trans	-73.8	139.6	167.1	5.9	8	0	0	0	110.9	D245	P243-D245 PolarHBondContact O-N 3Å
244	I	38.3	Very low	36.8	Very low	131 Å²	131	120.6 Å²	120.6	67%	0.672	62%	0.624	S	S	*	*	S	Bend	trans	-77.2	10.8	-158.6	-66.2	167.8	0	0	0	114.6	H246	I244-H246 PolarHBondContact O-N 2.87Å
245	D	37.8	Very low	35.8	Very low	133 Å²	133	121.9 Å²	121.9	71%	0.711	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	6.6	-158.5	-62.5	-17.6	0	0	0	116.9	P243	P243-D245 PolarHBondContact O-N 3Å
246	H	32.1	Very low	35.1	Very low	173 Å²	173	123.6 Å²	123.6	80%	0.801	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	16.2	-169	-67.1	-30.5	0	0	0	118.1	I244	I244-H246 PolarHBondContact O-N 2.87Å
247	L	33.5	Very low	34.3	Very low	80 Å²	80	125.3 Å²	125.3	42%	0.419	66%	0.655	S	S	.	*			trans	-84.7	119.6	164.3	-80.1	146.1	0	0	0	107.1	Y302	L247-Y302 HydrophobicContact CB-CD1 3.97Å; L247-Y302 HydrophobicContact CB-CE1 4.2Å; L247-Y302 WeakPolarHBondContact O-CE1 3.41Å; L247-Y302 PolarHBondContact O-OH 3.39Å
248	T	36.2	Very low	33.7	Very low	98 Å²	98	128 Å²	128	60%	0.601	68%	0.677	S	S	*	*			trans	-135.3	127.6	177.6	44.7	0	0	0	0	111.8	Q250	T248-Q250 PolarHBondContact O-N 2.88Å
249	T	36.5	Very low	33.2	Very low	107 Å²	107	126.7 Å²	126.7	66%	0.656	68%	0.682	S	S	*	*	S	Bend	trans	63.9	-28.8	146	41.1	0	0	0	0	124.4	Y251	T249-Y251 PolarHBondContact O-N 3.15Å
250	Q	32.8	Very low	32.7	Very low	171 Å²	171	128.1 Å²	128.1	80%	0.799	69%	0.693	S	S	*	*	S	Bend	trans	-80.5	-13.1	-170.6	-152.5	169.4	0.7	0	0	115.3	T248	T248-Q250 PolarHBondContact O-N 2.88Å
251	Y	30.7	Very low	32.3	Very low	168 Å²	168	129.2 Å²	129.2	66%	0.659	70%	0.7	S	S	*	*	S	Bend	trans	-104.7	-7.9	-170.2	-71.1	-83.9	0	0	0	115.6	T249 Q253	T249-Y251 PolarHBondContact O-N 3.15Å; Y251-Q253 VanDerWaalsContact C-N 3.34Å; Y251-Q253 PolarHBondContact O-N 3.1Å
252	C	28.3	Very low	31.9	Very low	61 Å²	61	124.8 Å²	124.8	41%	0.412	68%	0.68	S	S	.	*	G	3₁₀ helix	trans	-78.4	-6.6	-172.9	-65.1	0	0	0	0	115.3	S254 S301	C252-S254 PolarHBondContact O-N 2.81Å; C252-S301 PolarHBondContact SG-O 2.77Å; C252-S301 VanDerWaalsContact SG-O 3.4Å
253	Q	27.9	Very low	32	Very low	181 Å²	181	121.4 Å²	121.4	85%	0.846	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-81.2	-7.8	-169.9	-69.5	-173.5	-11	0	0	115.2	Y251	Y251-Q253 VanDerWaalsContact C-N 3.34Å; Y251-Q253 PolarHBondContact O-N 3.1Å
254	S	26.4	Very low	32	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-118.7	6.2	-165.9	-41.9	0	0	0	0	115.9	C252	C252-S254 PolarHBondContact O-N 2.81Å
255	S	26.9	Very low	32	Very low	55 Å²	55	121.9 Å²	121.9	39%	0.385	68%	0.681	S	S	.	*			trans	-104.8	122.3	-169.5	54.9	0	0	0	0	114.4
256	V	26.8	Very low	32.3	Very low	134 Å²	134	119.4 Å²	119.4	81%	0.812	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-94	141.7	174.1	179	0	0	0	0	110.3
257	H	27.8	Very low	33.1	Very low	186 Å²	186	120.5 Å²	120.5	86%	0.861	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-68.4	136.3	-170.6	-69	-84.2	0	0	0	114.8
258	A	27.2	Very low	33.5	Very low	85 Å²	85	119.6 Å²	119.6	70%	0.702	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-86.6	145.1	165.6	0	0	0	0	0	110.5
259	P	29	Very low	34.4	Very low	119 Å²	119	121.9 Å²	121.9	77%	0.773	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-76.3	137.6	-173	28.7	-31.6	0	0	0	112.7	V261	P259-V261 PolarHBondContact O-N 2.79Å
260	D	32	Very low	35.1	Very low	160 Å²	160	123.3 Å²	123.3	86%	0.856	68%	0.684	S	S	*	*			trans	-58.7	115.7	-175.2	-61.4	-45.3	0	0	0	112.4
261	V	34	Very low	35.8	Very low	135 Å²	135	123.2 Å²	123.2	82%	0.818	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-80.1	126.2	171.8	-176.9	0	0	0	0	108.3	P259 N263	P259-V261 PolarHBondContact O-N 2.79Å; V261-N263 PolarHBondContact O-N 2.78Å
262	C	31	Very low	36.5	Very low	50 Å²	50	117.8 Å²	117.8	34%	0.338	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-57	122.7	179.6	-58.4	0	0	0	0	110.4	C273	C262-C273 HydrophobicContact CB-CB 4.11Å; C262-C273 WeakPolarHBondContact CB-SG 2.86Å; C262-C273 WeakPolarHBondContact SG-CB 3.34Å; C262-C273 CovalentContact SG-SG 2.05Å; C262-C273 PolarHBondContact SG-SG 3.29Å
263	N	38.6	Very low	37.3	Very low	108 Å²	108	117.5 Å²	117.5	58%	0.578	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-66	142.9	-179.9	-166.9	13.3	0	0	0	110.6	V261 D265 T266	V261-N263 PolarHBondContact O-N 2.78Å; N263-D265 PolarHBondContact O-N 2.84Å; N263-T266 PolarHBondContact O-N 2.84Å; N263-T266 PolarHBondContact O-OG1 2.95Å
264	S	38.1	Very low	37.7	Very low	110 Å²	110	114.5 Å²	114.5	77%	0.769	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-10	-171.8	52.8	0	0	0	0	115.4	T266	S264-T266 VanDerWaalsContact C-N 3.31Å; S264-T266 PolarHBondContact O-N 3.21Å
265	D	39.2	Very low	38	Very low	132 Å²	132	116 Å²	116	71%	0.706	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	6.3	-176.1	-60.5	-25.5	0	0	0	113.4	N263	N263-D265 PolarHBondContact O-N 2.84Å
266	T	43.8	Very low	38.3	Very low	81 Å²	81	119.1 Å²	119.1	50%	0.497	66%	0.662	S	S	.	*			trans	-90	108.3	172	50.8	0	0	0	0	110.4	N263 S264 D268	N263-T266 PolarHBondContact O-N 2.84Å; N263-T266 PolarHBondContact O-OG1 2.95Å; S264-T266 VanDerWaalsContact C-N 3.31Å; S264-T266 PolarHBondContact O-N 3.21Å; T266-D268 PolarHBondContact O-N 2.78Å
267	E	48.8	Very low	38.6	Very low	195 Å²	195	120.8 Å²	120.8	91%	0.911	66%	0.658	S	S	*	*			trans	-66.2	30.6	167.5	-62.8	-176.3	159.1	0	0	112.8	D269	E267-D269 PolarHBondContact O-N 3.26Å
268	D	42.6	Very low	38.8	Very low	61 Å²	61	117.9 Å²	117.9	33%	0.326	65%	0.654	S	S	.	*			trans	-96.9	77.7	-174.6	-169.6	9.9	0	0	0	110.1	T266 N270 Y271 S272	T266-D268 PolarHBondContact O-N 2.78Å; D268-N270 PolarHBondContact O-N 2.77Å; D268-Y271 PolarHBondContact O-N 2.97Å; D268-S272 VanDerWaalsContact OD2-CB 3.29Å; D268-S272 WeakPolarHBondContact OD2-CB 3.23Å; D268-S272 PolarHBondContact OD2-N 2.86Å; D268-S272 PolarHBondContact OD2-OG 3.06Å
269	D	55	Low	39	Very low	147 Å²	147	121 Å²	121	79%	0.786	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-8.7	178.9	-61.1	-15.6	0	0	0	113.6	E267	E267-D269 PolarHBondContact O-N 3.26Å
270	N	51	Low	39	Very low	136 Å²	136	121.8 Å²	121.8	73%	0.727	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	11.6	-177.8	-105.1	-20.3	0	0	0	114.4	D268 S272	D268-N270 PolarHBondContact O-N 2.77Å; N270-S272 PolarHBondContact O-N 2.99Å
271	Y	46.5	Very low	39.2	Very low	170 Å²	170	119 Å²	119	67%	0.667	64%	0.641	S	S	*	*			trans	53.4	28.1	176.2	-59.8	-85.8	0	0	0	113.1	D268 C273 L274	D268-Y271 PolarHBondContact O-N 2.97Å; Y271-C273 PolarHBondContact O-N 2.83Å; Y271-L274 HydrophobicContact CD1-CD1 4.32Å; Y271-L274 PolarHBondContact O-N 2.82Å; Y271-L274 VanDerWaalsContact O-N 3.14Å
272	S	44.7	Very low	39.2	Very low	53 Å²	53	121.2 Å²	121.2	37%	0.371	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-71.1	-21.3	-173	92	0	0	0	0	112.2	D268 N270 L274 K275	D268-S272 VanDerWaalsContact OD2-CB 3.29Å; D268-S272 WeakPolarHBondContact OD2-CB 3.23Å; D268-S272 PolarHBondContact OD2-N 2.86Å; D268-S272 PolarHBondContact OD2-OG 3.06Å; N270-S272 PolarHBondContact O-N 2.99Å; S272-L274 PolarHBondContact O-N 3.12Å; S272-K275 PolarHBondContact O-N 2.74Å
273	C	45.7	Very low	39.2	Very low	55 Å²	55	122.3 Å²	122.3	37%	0.372	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-59.1	-26.5	171.5	71.3	0	0	0	0	113.5	C262 Y271	C262-C273 HydrophobicContact CB-CB 4.11Å; C262-C273 WeakPolarHBondContact CB-SG 2.86Å; C262-C273 WeakPolarHBondContact SG-CB 3.34Å; C262-C273 CovalentContact SG-SG 2.05Å; C262-C273 PolarHBondContact SG-SG 3.29Å; Y271-C273 PolarHBondContact O-N 2.83Å
274	L	37.5	Very low	39.2	Very low	118 Å²	118	120.9 Å²	120.9	62%	0.618	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-85.9	-9.2	178	-63.9	176.8	0	0	0	113.1	Y271 S272	Y271-L274 HydrophobicContact CD1-CD1 4.32Å; Y271-L274 PolarHBondContact O-N 2.82Å; Y271-L274 VanDerWaalsContact O-N 3.14Å; S272-L274 PolarHBondContact O-N 3.12Å
275	K	32.8	Very low	39.3	Very low	147 Å²	147	119.9 Å²	119.9	64%	0.639	63%	0.633	S	S	*	*	S	Bend	trans	-85.1	124.5	174.8	-70	-177.2	-179.1	171.8	0	108.3	S272 K277	S272-K275 PolarHBondContact O-N 2.74Å; K275-K277 PolarHBondContact O-N 3.24Å
276	P	32.3	Very low	39.4	Very low	120 Å²	120	119.8 Å²	119.8	78%	0.779	63%	0.632	S	S	*	*			trans	-55.3	110.2	178.6	20.2	-29.7	0	0	0	108.1	T278	P276-T278 PolarHBondContact O-N 2.88Å
277	K	32.3	Very low	39.6	Very low	169 Å²	169	121.1 Å²	121.1	74%	0.735	64%	0.636	S	S	*	*			trans	-59.8	102.2	-178.5	-81.8	-174.4	176.2	178	0	108	K275 I279	K275-K277 PolarHBondContact O-N 3.24Å; K277-I279 PolarHBondContact O-N 2.93Å
278	T	32.3	Very low	39.4	Very low	125 Å²	125	115.8 Å²	115.8	77%	0.767	61%	0.614	S	S	*	*			trans	-63.7	109.1	167.9	31.7	0	0	0	0	107.6	P276	P276-T278 PolarHBondContact O-N 2.88Å
279	I	31.1	Very low	39.2	Very low	149 Å²	149	118.9 Å²	118.9	76%	0.764	62%	0.621	S	S	*	*			trans	73.2	79.6	152.6	-46.3	161.1	0	0	0	113.3	K277 P281	K277-I279 PolarHBondContact O-N 2.93Å; I279-P281 WeakPolarHBondContact O-CD 3.19Å
280	H	30	Very low	38.4	Very low	137 Å²	137	117.1 Å²	117.1	63%	0.634	61%	0.609	S	S	*	*			trans	-83.4	116.6	156	-124.1	-71.7	0	0	0	108.8	F282	H280-F282 PolarHBondContact O-N 2.92Å
281	P	36.8	Very low	38.2	Very low	101 Å²	101	118.7 Å²	118.7	66%	0.656	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	18.6	-163.5	31.1	-35.8	0	0	0	115.4	I279	I279-P281 WeakPolarHBondContact O-CD 3.19Å
282	F	32.3	Very low	38.2	Very low	181 Å²	181	113.2 Å²	113.2	79%	0.794	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	20.4	178.1	-74.2	-76.1	0	0	0	113.6	H280 T284	H280-F282 PolarHBondContact O-N 2.92Å; F282-T284 VanDerWaalsContact C-N 3.31Å; F282-T284 PolarHBondContact O-N 3.12Å
283	C	32.2	Very low	38.1	Very low	74 Å²	74	114.6 Å²	114.6	50%	0.5	60%	0.598	S	S	.	*			trans	-74.5	90.8	167	-66.4	0	0	0	0	109	R289	C283-R289 PolarHBondContact SG-NH1 3.4Å
284	T	38.9	Very low	37.8	Very low	78 Å²	78	115.1 Å²	115.1	48%	0.479	60%	0.6	S	S	.	*			trans	-39.2	147.7	158	32	0	0	0	0	111.5	F282 L286	F282-T284 VanDerWaalsContact C-N 3.31Å; F282-T284 PolarHBondContact O-N 3.12Å; T284-L286 PolarHBondContact O-N 3.43Å
285	P	40.5	Very low	38	Very low	88 Å²	88	113.8 Å²	113.8	57%	0.571	60%	0.596	S	S	*	*			trans	-47.2	139.3	-177	-25.9	33.3	0	0	0	111.6	D287 D288 R289	P285-D287 PolarHBondContact O-N 3.38Å; P285-D288 PolarHBondContact O-N 3.34Å; P285-R289 PolarHBondContact O-N 3.49Å
286	L	40.9	Very low	38.4	Very low	130 Å²	130	111.6 Å²	111.6	68%	0.681	59%	0.591	S	S	*	*	H	α-helix	trans	-44.8	-35.5	-175.2	-166.6	75.5	0	0	0	112.4	T284 R289 M290	T284-L286 PolarHBondContact O-N 3.43Å; L286-R289 PolarHBondContact O-N 3.1Å; L286-M290 HydrophobicContact CD2-SD 4.3Å; L286-M290 HydrophobicContact CG-CG 4.39Å; L286-M290 HydrophobicContact CG-SD 4.17Å; L286-M290 WeakPolarHBondContact O-CB 2.83Å; L286-M290 VanDerWaalsContact O-CG 3.25Å; L286-M290 WeakPolarHBondContact O-CG 3.1Å; L286-M290 PolarHBondContact O-N 2.92Å
287	D	48	Very low	38.5	Very low	110 Å²	110	113.5 Å²	113.5	59%	0.588	58%	0.583	S	S	*	*	H	α-helix	trans	-65.6	-40.2	-178.8	-62.8	-30.4	0	0	0	114	P285 R291	P285-D287 PolarHBondContact O-N 3.38Å; D287-R291 PolarHBondContact O-N 3.04Å
288	D	44.6	Very low	38.5	Very low	83 Å²	83	111 Å²	111	44%	0.444	58%	0.578	S	S	.	*	H	α-helix	trans	-74.6	-34.5	178	-73.2	-25.9	0	0	0	110.9	P285 R291 S292	P285-D288 PolarHBondContact O-N 3.34Å; D288-R291 PolarHBondContact O-N 3Å; D288-S292 PolarHBondContact O-N 3.3Å
289	R	37.7	Very low	38.6	Very low	125 Å²	125	107.8 Å²	107.8	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-65.7	-47.3	171.7	-113.2	-177.9	174.2	-173.1	0.1	110.9	C283 P285 L286 R291 S292 T293	C283-R289 PolarHBondContact SG-NH1 3.4Å; P285-R289 PolarHBondContact O-N 3.49Å; L286-R289 PolarHBondContact O-N 3.1Å; R289-R291 PolarHBondContact O-N 3.49Å; R289-S292 PolarHBondContact O-N 3.07Å; R289-S292 PolarHBondContact O-OG 3.47Å; R289-T293 WeakPolarHBondContact O-CB 3.2Å; R289-T293 PolarHBondContact O-N 2.86Å; R289-T293 PolarHBondContact O-OG1 3.1Å
290	M	38.4	Very low	38.6	Very low	110 Å²	110	106.6 Å²	106.6	54%	0.542	56%	0.556	S	S	.	*	H	α-helix	trans	-56.3	-41.6	174.8	-77.2	179.4	80.9	0	0	110.5	L286 V294	L286-M290 HydrophobicContact CD2-SD 4.3Å; L286-M290 HydrophobicContact CG-CG 4.39Å; L286-M290 HydrophobicContact CG-SD 4.17Å; L286-M290 WeakPolarHBondContact O-CB 2.83Å; L286-M290 VanDerWaalsContact O-CG 3.25Å; L286-M290 WeakPolarHBondContact O-CG 3.1Å; L286-M290 PolarHBondContact O-N 2.92Å; M290-V294 WeakPolarHBondContact O-CB 3.17Å; M290-V294 WeakPolarHBondContact O-CG2 2.9Å; M290-V294 PolarHBondContact O-N 3.43Å
291	R	47.6	Very low	38.5	Very low	170 Å²	170	103.9 Å²	103.9	64%	0.642	55%	0.552	S	S	*	*	H	α-helix	trans	-65.3	-47.2	176.8	-133.2	-179.9	-63.7	-177.1	3.7	112.6	D287 D288 R289 V294 T295	D287-R291 PolarHBondContact O-N 3.04Å; D288-R291 PolarHBondContact O-N 3Å; R289-R291 PolarHBondContact O-N 3.49Å; R291-V294 PolarHBondContact O-N 3.45Å; R291-T295 WeakPolarHBondContact O-CB 3.09Å; R291-T295 PolarHBondContact O-N 3.26Å; R291-T295 PolarHBondContact O-OG1 3.05Å
292	S	45.2	Very low	38.2	Very low	55 Å²	55	104.3 Å²	104.3	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-70.7	-37	179.6	89.8	0	0	0	0	112.5	D288 R289 T295 N296	D288-S292 PolarHBondContact O-N 3.3Å; R289-S292 PolarHBondContact O-N 3.07Å; R289-S292 PolarHBondContact O-OG 3.47Å; S292-T295 PolarHBondContact O-N 3.35Å; S292-N296 VanDerWaalsContact O-CB 3.25Å; S292-N296 WeakPolarHBondContact O-CB 3.29Å; S292-N296 VanDerWaalsContact O-CG 3.26Å; S292-N296 PolarHBondContact O-N 2.95Å; S292-N296 PolarHBondContact O-ND2 2.82Å
293	T	43.2	Very low	38.1	Very low	81 Å²	81	102.9 Å²	102.9	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-70	-37.2	177.7	-55.2	0	0	0	0	110.1	R289 N296 R297	R289-T293 WeakPolarHBondContact O-CB 3.2Å; R289-T293 PolarHBondContact O-N 2.86Å; R289-T293 PolarHBondContact O-OG1 3.1Å; T293-N296 PolarHBondContact O-N 3.42Å; T293-R297 WeakPolarHBondContact O-CA 3.06Å; T293-R297 WeakPolarHBondContact O-CB 3.46Å; T293-R297 PolarHBondContact O-N 3.4Å
294	V	39.8	Very low	37.8	Very low	67 Å²	67	104.2 Å²	104.2	41%	0.406	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-44.6	170.9	168.8	0	0	0	0	110.2	M290 R291 N296 R297 D298	M290-V294 WeakPolarHBondContact O-CB 3.17Å; M290-V294 WeakPolarHBondContact O-CG2 2.9Å; M290-V294 PolarHBondContact O-N 3.43Å; R291-V294 PolarHBondContact O-N 3.45Å; V294-N296 VanDerWaalsContact C-N 3.33Å; V294-N296 PolarHBondContact O-N 3.17Å; V294-R297 PolarHBondContact O-N 3.37Å; V294-D298 WeakPolarHBondContact O-CB 3.31Å; V294-D298 VanDerWaalsContact O-CG 3.27Å; V294-D298 PolarHBondContact O-N 2.98Å
295	T	41.9	Very low	37.2	Very low	90 Å²	90	107.8 Å²	107.8	55%	0.552	55%	0.552	S	S	*	*	H	α-helix	trans	-65	-36.2	178.5	-42.4	0	0	0	0	112.4	R291 S292 S299	R291-T295 WeakPolarHBondContact O-CB 3.09Å; R291-T295 PolarHBondContact O-N 3.26Å; R291-T295 PolarHBondContact O-OG1 3.05Å; S292-T295 PolarHBondContact O-N 3.35Å; T295-S299 PolarHBondContact O-N 3.28Å; T295-S299 PolarHBondContact O-OG 2.05Å
296	N	39.7	Very low	36.5	Very low	100 Å²	100	105.8 Å²	105.8	54%	0.535	55%	0.548	S	S	.	.	H	α-helix	trans	-80.5	-33.5	178.3	-73.5	-20.3	0	0	0	112.7	S292 T293 V294 D298 S299 N300	S292-N296 VanDerWaalsContact O-CB 3.25Å; S292-N296 WeakPolarHBondContact O-CB 3.29Å; S292-N296 VanDerWaalsContact O-CG 3.26Å; S292-N296 PolarHBondContact O-N 2.95Å; S292-N296 PolarHBondContact O-ND2 2.82Å; T293-N296 PolarHBondContact O-N 3.42Å; V294-N296 VanDerWaalsContact C-N 3.33Å; V294-N296 PolarHBondContact O-N 3.17Å; N296-D298 VanDerWaalsContact C-N 3.33Å; N296-S299 VanDerWaalsContact CA-OG 3.28Å; N296-S299 WeakPolarHBondContact CA-OG 3.37Å; N296-S299 PolarHBondContact O-N 3.05Å; N296-S299 PolarHBondContact O-OG 3.3Å; N296-S299 VanDerWaalsContact O-OG 3.1Å; N296-N300 PolarHBondContact O-N 3.4Å
297	R	34.8	Very low	35.8	Very low	160 Å²	160	109.6 Å²	109.6	60%	0.604	56%	0.562	S	S	*	*	H	α-helix	trans	-67	-36.9	174.1	-172.5	-177.4	79.3	167.3	6	110.9	T293 V294 S299	T293-R297 WeakPolarHBondContact O-CA 3.06Å; T293-R297 WeakPolarHBondContact O-CB 3.46Å; T293-R297 PolarHBondContact O-N 3.4Å; V294-R297 PolarHBondContact O-N 3.37Å; R297-S299 VanDerWaalsContact C-N 3.25Å; R297-S299 PolarHBondContact O-N 3.22Å
298	D	33.2	Very low	34.9	Very low	116 Å²	116	109.1 Å²	109.1	62%	0.62	56%	0.556	S	S	*	*	H	α-helix	trans	-73	-20	176.3	-70	-8.3	0	0	0	112.4	V294 N296	V294-D298 WeakPolarHBondContact O-CB 3.31Å; V294-D298 VanDerWaalsContact O-CG 3.27Å; V294-D298 PolarHBondContact O-N 2.98Å; N296-D298 VanDerWaalsContact C-N 3.33Å
299	S	34	Very low	34.1	Very low	59 Å²	59	109.7 Å²	109.7	41%	0.413	56%	0.557	S	S	.	*	H	α-helix	trans	-93.7	-31.9	179.1	39.2	0	0	0	0	114.5	T295 N296 R297	T295-S299 PolarHBondContact O-N 3.28Å; T295-S299 PolarHBondContact O-OG 2.05Å; N296-S299 VanDerWaalsContact CA-OG 3.28Å; N296-S299 WeakPolarHBondContact CA-OG 3.37Å; N296-S299 PolarHBondContact O-N 3.05Å; N296-S299 PolarHBondContact O-OG 3.3Å; N296-S299 VanDerWaalsContact O-OG 3.1Å; R297-S299 VanDerWaalsContact C-N 3.25Å; R297-S299 PolarHBondContact O-N 3.22Å
300	N	30	Very low	33.8	Very low	124 Å²	124	105.1 Å²	105.1	66%	0.663	54%	0.543	S	S	*	.	S	Bend	trans	-150.9	80	-165.9	-65.6	-61.4	0	0	0	114.8	N296	N296-N300 PolarHBondContact O-N 3.4Å
301	S	29.1	Very low	33.4	Very low	79 Å²	79	101.3 Å²	101.3	55%	0.552	53%	0.526	S	S	*	.			trans	-178.5	118	142.6	31.8	0	0	0	0	113.4	C252	C252-S301 PolarHBondContact SG-O 2.77Å; C252-S301 VanDerWaalsContact SG-O 3.4Å
302	Y	29.2	Very low	32.9	Very low	110 Å²	110	95.3 Å²	95.3	43%	0.431	51%	0.505	S	S	.	.			trans	-110.8	105	176	-65.8	-76.2	0	0	0	109.3	L247	L247-Y302 HydrophobicContact CB-CD1 3.97Å; L247-Y302 HydrophobicContact CB-CE1 4.2Å; L247-Y302 WeakPolarHBondContact O-CE1 3.41Å; L247-Y302 PolarHBondContact O-OH 3.39Å
303	I	30.4	Very low	32.5	Very low	152 Å²	152	94.6 Å²	94.6	78%	0.779	50%	0.499	S	S	*	.			trans	-143.8	120.2	161.2	-57.7	-177	0	0	0	109.2
304	N	27.2	Very low	32.5	Very low	101 Å²	101	92.7 Å²	92.7	54%	0.54	48%	0.483	S	S	.	.			trans	-88.7	129.7	-175.5	-126.7	-21.1	0	0	0	109.9
305	F	26.6	Very low	32.4	Very low	153 Å²	153	89.5 Å²	89.5	67%	0.671	46%	0.463	S	S	*	.			trans	-86.1	109.6	-178.7	-75.6	-101.9	0	0	0	110.2
306	G	25.6	Very low	32.2	Very low	47 Å²	47	87.1 Å²	87.1	49%	0.485	45%	0.453	S	S	.	.			trans	-124.7	115.7	163.4	0	0	0	0	0	108.3	Q308	G306-Q308 WeakPolarHBondContact O-CB 3.49Å; G306-Q308 VanDerWaalsContact O-CG 3.29Å; G306-Q308 WeakPolarHBondContact O-CG 2.72Å; G306-Q308 PolarHBondContact O-N 3.48Å
307	Q	26.3	Very low	32.1	Very low	209 Å²	209	84.7 Å²	84.7	98%	0.977	44%	0.436	S	S	*	.			trans	-53.1	125	176.2	-68.6	173	-25.3	0	0	109.5
308	Q	27.4	Very low	32.1	Very low	100 Å²	100	80.3 Å²	80.3	47%	0.467	42%	0.423	S	S	.	.			trans	-132.8	118.3	-162.8	-99.1	169.2	-4.7	0	0	108.5	I224 G306	I224-Q308 HydrophobicContact CB-CB 3.81Å; I224-Q308 VanDerWaalsContact CB-CD 3.44Å; I224-Q308 HydrophobicContact CB-CG 3.8Å; I224-Q308 VanDerWaalsContact CB-OE1 3.26Å; I224-Q308 HydrophobicContact CD1-CB 3.5Å; I224-Q308 VanDerWaalsContact CD1-CB 3.5Å; I224-Q308 HydrophobicContact CD1-CG 3.92Å; I224-Q308 HydrophobicContact CG1-CB 3.77Å; I224-Q308 HydrophobicContact CG1-CG 4.22Å; I224-Q308 HydrophobicContact CG2-CB 4.46Å; I224-Q308 HydrophobicContact CG2-CG 3.95Å; I224-Q308 PolarHBondContact O-OE1 3.27Å; G306-Q308 WeakPolarHBondContact O-CB 3.49Å; G306-Q308 VanDerWaalsContact O-CG 3.29Å; G306-Q308 WeakPolarHBondContact O-CG 2.72Å; G306-Q308 PolarHBondContact O-N 3.48Å
309	M	28.4	Very low	32.1	Very low	96 Å²	96	78 Å²	78	47%	0.473	41%	0.41	S	S	.	.			trans	-103.2	150.1	-169.6	-171.7	166.1	49.4	0	0	109.7	I224 V311 I319	I224-M309 WeakPolarHBondContact CD1-O 3.17Å; M309-V311 WeakPolarHBondContact O-CG2 3.47Å; M309-V311 PolarHBondContact O-N 2.74Å; M309-I319 HydrophobicContact CE-CD1 3.72Å; M309-I319 HydrophobicContact CE-CG1 4.38Å
310	V	31.9	Very low	32.1	Very low	29 Å²	29	78.4 Å²	78.4	18%	0.176	42%	0.416	C	S	.	.			trans	-58.5	128.1	170.8	-174.2	0	0	0	0	107.9	T150 T222 F312 E315	T150-V310 HydrophobicContact CG2-CB 3.52Å; T150-V310 HydrophobicContact CG2-CG1 3.91Å; T150-V310 HydrophobicContact CG2-CG2 3.7Å; T222-V310 HydrophobicContact CG2-CG2 4.39Å; T222-V310 WeakPolarHBondContact OG1-CG2 3.11Å; V310-F312 HydrophobicContact CG1-CD2 3.87Å; V310-F312 HydrophobicContact CG1-CE2 3.63Å; V310-E315 VanDerWaalsContact C-OE2 3.24Å
311	V	30.6	Very low	32.3	Very low	30 Å²	30	80.7 Å²	80.7	18%	0.182	42%	0.417	C	S	.	.			trans	-137.7	89.4	177.9	-173.1	0	0	0	0	108.8	Y207 M309 E315 A316 I319	Y207-V311 PolarHBondContact OH-O 2.9Å; M309-V311 WeakPolarHBondContact O-CG2 3.47Å; M309-V311 PolarHBondContact O-N 2.74Å; V311-E315 WeakPolarHBondContact CA-OE2 3.13Å; V311-E315 HydrophobicContact CB-CB 4.3Å; V311-E315 VanDerWaalsContact CG1-C 3.41Å; V311-E315 HydrophobicContact CG1-CB 3.7Å; V311-E315 PolarHBondContact N-OE2 3.14Å; V311-A316 HydrophobicContact CG1-CB 3.49Å; V311-A316 VanDerWaalsContact CG1-CB 3.49Å; V311-I319 HydrophobicContact CB-CD1 4.22Å; V311-I319 HydrophobicContact CG1-CD1 3.82Å; V311-I319 HydrophobicContact CG2-CD1 3.28Å
312	F	35.7	Very low	32.3	Very low	44 Å²	44	82.8 Å²	82.8	19%	0.193	42%	0.422	C	S	.	.			trans	-60	160.3	164.7	-72.6	-89.2	0	0	0	110.3	R148 V310 Y314 E315 A316	R148-F312 HydrophobicContact CB-CZ 4.35Å; R148-F312 WeakPolarHBondContact O-CE2 3.08Å; R148-F312 WeakPolarHBondContact O-CZ 3.07Å; V310-F312 HydrophobicContact CG1-CD2 3.87Å; V310-F312 HydrophobicContact CG1-CE2 3.63Å; F312-Y314 HydrophobicContact CB-CD1 3.47Å; F312-Y314 VanDerWaalsContact CB-CD1 3.47Å; F312-Y314 HydrophobicContact CB-CE1 2.98Å; F312-Y314 HydrophobicContact CB-CE2 4.18Å; F312-Y314 HydrophobicContact CB-CG 4.22Å; F312-Y314 HydrophobicContact CD1-CE1 4.02Å; F312-Y314 HydrophobicContact CD2-CE1 4.04Å; F312-Y314 AromaticContact CD2-CZ 3.75Å; F312-Y314 WeakPolarHBondContact CD2-OH 2.97Å; F312-Y314 HydrophobicContact CG-CD1 4.35Å; F312-Y314 AromaticContact CG-CE1 3.43Å; F312-Y314 HydrophobicContact CG-CE1 3.43Å; F312-Y314 VanDerWaalsContact CG-CE1 3.43Å; F312-Y314 AromaticContact CG-CZ 3.64Å; F312-Y314 VanDerWaalsContact CG-OH 3.28Å; F312-Y314 WeakPolarHBondContact CG-OH 3.43Å; F312-Y314 PolarHBondContact O-N 3.49Å; F312-E315 HydrophobicContact CB-CG 4.21Å; F312-E315 WeakPolarHBondContact CD2-OE2 3.43Å; F312-E315 PolarHBondContact N-OE2 3.38Å; F312-E315 WeakPolarHBondContact O-CA 3.28Å; F312-E315 WeakPolarHBondContact O-CB 3.43Å; F312-E315 PolarHBondContact O-N 2.84Å; F312-A316 PolarHBondContact O-N 3.23Å
313	P	36.9	Very low	32.1	Very low	40 Å²	40	81.6 Å²	81.6	26%	0.26	43%	0.428	S	S	.	.	H	α-helix	trans	-49.3	-30.9	-178.6	-26.2	31.1	0	0	0	114.3	P200 V202	P200-P313 WeakPolarHBondContact CG-O 3.36Å; V202-P313 HydrophobicContact CB-CG 4.35Å; V202-P313 HydrophobicContact CG1-CB 4.13Å; V202-P313 HydrophobicContact CG1-CG 3.75Å; V202-P313 HydrophobicContact CG2-CB 3.89Å; V202-P313 HydrophobicContact CG2-CG 3.61Å
314	Y	43.1	Very low	31.9	Very low	40 Å²	40	80.6 Å²	80.6	16%	0.157	43%	0.428	C	S	.	.	H	α-helix	trans	-80.5	-30.7	177.1	64.2	-96.2	0	0	0	113.9	F85 S149 F312 A316 Q318	F85-Y314 HydrophobicContact CE2-CD2 4.27Å; F85-Y314 HydrophobicContact CZ-CD2 4.33Å; S149-Y314 WeakPolarHBondContact CA-OH 3.25Å; S149-Y314 WeakPolarHBondContact CB-OH 3.49Å; S149-Y314 WeakPolarHBondContact OG-CE2 3.46Å; S149-Y314 PolarHBondContact OG-OH 2.97Å; F312-Y314 HydrophobicContact CB-CD1 3.47Å; F312-Y314 VanDerWaalsContact CB-CD1 3.47Å; F312-Y314 HydrophobicContact CB-CE1 2.98Å; F312-Y314 HydrophobicContact CB-CE2 4.18Å; F312-Y314 HydrophobicContact CB-CG 4.22Å; F312-Y314 HydrophobicContact CD1-CE1 4.02Å; F312-Y314 HydrophobicContact CD2-CE1 4.04Å; F312-Y314 AromaticContact CD2-CZ 3.75Å; F312-Y314 WeakPolarHBondContact CD2-OH 2.97Å; F312-Y314 HydrophobicContact CG-CD1 4.35Å; F312-Y314 AromaticContact CG-CE1 3.43Å; F312-Y314 HydrophobicContact CG-CE1 3.43Å; F312-Y314 VanDerWaalsContact CG-CE1 3.43Å; F312-Y314 AromaticContact CG-CZ 3.64Å; F312-Y314 VanDerWaalsContact CG-OH 3.28Å; F312-Y314 WeakPolarHBondContact CG-OH 3.43Å; F312-Y314 PolarHBondContact O-N 3.49Å; Y314-A316 VanDerWaalsContact C-N 3.33Å; Y314-Q318 PolarHBondContact O-N 2.65Å
315	E	37.5	Very low	31.8	Very low	0 Å²	0	84.8 Å²	84.8	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-72.3	-33.1	173.2	-58.3	176.3	153.5	0	0	109.5	S149 T150 V151 V310 V311 F312 W317 Q318 I319	S149-E315 PolarHBondContact OG-OE1 2.5Å; T150-E315 PolarHBondContact N-OE1 3.47Å; T150-E315 PolarHBondContact OG1-OE1 3.24Å; T150-E315 PolarHBondContact OG1-OE2 3.28Å; V151-E315 HydrophobicContact CB-CG 4.15Å; V151-E315 HydrophobicContact CG2-CB 4.19Å; V151-E315 HydrophobicContact CG2-CG 3.62Å; V151-E315 PolarHBondContact N-OE1 2.93Å; V310-E315 VanDerWaalsContact C-OE2 3.24Å; V311-E315 WeakPolarHBondContact CA-OE2 3.13Å; V311-E315 HydrophobicContact CB-CB 4.3Å; V311-E315 VanDerWaalsContact CG1-C 3.41Å; V311-E315 HydrophobicContact CG1-CB 3.7Å; V311-E315 PolarHBondContact N-OE2 3.14Å; F312-E315 HydrophobicContact CB-CG 4.21Å; F312-E315 WeakPolarHBondContact CD2-OE2 3.43Å; F312-E315 PolarHBondContact N-OE2 3.38Å; F312-E315 WeakPolarHBondContact O-CA 3.28Å; F312-E315 WeakPolarHBondContact O-CB 3.43Å; F312-E315 PolarHBondContact O-N 2.84Å; E315-W317 PolarHBondContact O-N 2.92Å; E315-Q318 PolarHBondContact O-N 2.75Å; E315-I319 HydrophobicContact CB-CD1 4.49Å; E315-I319 WeakPolarHBondContact O-CB 3.06Å; E315-I319 VanDerWaalsContact O-CG1 3.25Å; E315-I319 WeakPolarHBondContact O-CG1 3.2Å; E315-I319 PolarHBondContact O-N 3.32Å
316	A	38.8	Very low	31.7	Very low	40 Å²	40	86.6 Å²	86.6	33%	0.331	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-35.8	178.8	0	0	0	0	0	110.3	V311 F312 Y314 A320	V311-A316 HydrophobicContact CG1-CB 3.49Å; V311-A316 VanDerWaalsContact CG1-CB 3.49Å; F312-A316 PolarHBondContact O-N 3.23Å; Y314-A316 VanDerWaalsContact C-N 3.33Å; A316-A320 WeakPolarHBondContact O-CB 3.29Å; A316-A320 PolarHBondContact O-N 3.44Å
317	W	36.9	Very low	31.8	Very low	49 Å²	49	89.9 Å²	89.9	19%	0.186	46%	0.461	C	S	.	.	H	α-helix	trans	-70.9	-44.5	177.9	-165.7	84.5	0	0	0	112.9	W83 E315 I319 A320 Y321	W83-W317 AromaticContact CE3-NE1 3.81Å; E315-W317 PolarHBondContact O-N 2.92Å; W317-I319 VanDerWaalsContact C-N 3.31Å; W317-I319 PolarHBondContact O-N 3.2Å; W317-A320 PolarHBondContact O-N 2.82Å; W317-Y321 HydrophobicContact CZ2-CD2 4.42Å; W317-Y321 PolarHBondContact O-N 2.73Å
318	Q	35	Very low	31.7	Very low	69 Å²	69	88.6 Å²	88.6	32%	0.322	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-39.2	174.7	-78.8	-171.7	-12.6	0	0	111.9	Y314 E315 N322	Y314-Q318 PolarHBondContact O-N 2.65Å; E315-Q318 PolarHBondContact O-N 2.75Å; Q318-N322 PolarHBondContact O-N 2.99Å; Q318-N322 VanDerWaalsContact O-N 3.07Å
319	I	33.9	Very low	31.6	Very low	67 Å²	67	91.9 Å²	91.9	34%	0.344	48%	0.475	S	S	.	.	H	α-helix	trans	-71.7	-37	178.6	-65.2	167.3	0	0	0	111.4	M309 V311 E315 W317 Y321 N322	M309-I319 HydrophobicContact CE-CD1 3.72Å; M309-I319 HydrophobicContact CE-CG1 4.38Å; V311-I319 HydrophobicContact CB-CD1 4.22Å; V311-I319 HydrophobicContact CG1-CD1 3.82Å; V311-I319 HydrophobicContact CG2-CD1 3.28Å; E315-I319 HydrophobicContact CB-CD1 4.49Å; E315-I319 WeakPolarHBondContact O-CB 3.06Å; E315-I319 VanDerWaalsContact O-CG1 3.25Å; E315-I319 WeakPolarHBondContact O-CG1 3.2Å; E315-I319 PolarHBondContact O-N 3.32Å; W317-I319 VanDerWaalsContact C-N 3.31Å; W317-I319 PolarHBondContact O-N 3.2Å; I319-Y321 VanDerWaalsContact C-N 3.29Å; I319-Y321 PolarHBondContact O-N 3.29Å; I319-N322 CarbonylContact O-C 3.51Å
320	A	34	Very low	31.4	Very low	67 Å²	67	96.9 Å²	96.9	55%	0.554	50%	0.497	S	S	*	.	H	α-helix	trans	-66.1	-28.6	179.3	0	0	0	0	0	113.3	A316 W317	A316-A320 WeakPolarHBondContact O-CB 3.29Å; A316-A320 PolarHBondContact O-N 3.44Å; W317-A320 PolarHBondContact O-N 2.82Å
321	Y	33.3	Very low	31.1	Very low	173 Å²	173	101.3 Å²	101.3	68%	0.678	53%	0.525	S	S	*	.	H	α-helix	trans	-100.3	-17.7	179	-95.6	-81.2	0	0	0	115.3	W317 I319 P323	W317-Y321 HydrophobicContact CZ2-CD2 4.42Å; W317-Y321 PolarHBondContact O-N 2.73Å; I319-Y321 VanDerWaalsContact C-N 3.29Å; I319-Y321 PolarHBondContact O-N 3.29Å; Y321-P323 WeakPolarHBondContact O-CD 3.19Å
322	N	29.3	Very low	30.9	Very low	122 Å²	122	107.8 Å²	107.8	65%	0.652	55%	0.553	S	S	*	*	S	Bend	trans	-109.2	54.2	164.7	-81.1	-13.3	0	0	0	112	Q318 I319 V324	Q318-N322 PolarHBondContact O-N 2.99Å; Q318-N322 VanDerWaalsContact O-N 3.07Å; I319-N322 CarbonylContact O-C 3.51Å; N322-V324 PolarHBondContact O-N 3.02Å
323	P	25.8	Very low	30.7	Very low	86 Å²	86	113.9 Å²	113.9	56%	0.558	59%	0.588	S	S	*	*			trans	-68.4	121	171.9	31.6	-30.8	0	0	0	107.1	Y321	Y321-P323 WeakPolarHBondContact O-CD 3.19Å
324	V	25.8	Very low	30.3	Very low	130 Å²	130	118.2 Å²	118.2	79%	0.788	61%	0.608	S	S	*	*			trans	83.8	76.8	168.2	-154.2	0	0	0	0	116.4	N322	N322-V324 PolarHBondContact O-N 3.02Å
325	Q	24.7	Very low	29.6	Very low	189 Å²	189	122.7 Å²	122.7	88%	0.883	63%	0.634	S	S	*	*			trans	-134.8	69	142	-81.9	-166.3	-9.7	0	0	110.3
326	Y	24.6	Very low	29.4	Very low	192 Å²	192	131.5 Å²	131.5	75%	0.753	68%	0.681	S	S	*	*			trans	-133.5	115.3	158.5	-69.5	-83.2	0	0	0	104.5
327	P	27.8	Very low	28.9	Very low	116 Å²	116	137.3 Å²	137.3	75%	0.753	70%	0.701	S	S	*	*	S	Bend		-128.1	139.9	53.1	32.7	-16.1	0	0	0	113.6	E329	P327-E329 PolarHBondContact O-N 3.05Å
328	L	25.3	Very low	28.7	Very low	182 Å²	182	147.2 Å²	147.2	95%	0.953	74%	0.738	S	S	*	*			trans	-17.6	82.1	164.8	-64.6	158.6	0	0	0	114.5
329	E	23.4	Very low	28.5	Very low	169 Å²	169	150.3 Å²	150.3	79%	0.79	76%	0.757	S	S	*	*			trans	-75.9	125.6	171	-93.4	-175.8	158.6	0	0	108.3	P327 V331	P327-E329 PolarHBondContact O-N 3.05Å; E329-V331 HydrophobicContact CB-CG2 4.31Å; E329-V331 PolarHBondContact O-N 2.87Å
330	Q	24.2	Very low	28.5	Very low	200 Å²	200	152.4 Å²	152.4	94%	0.935	78%	0.778	S	S	*	*			trans	-59.2	100.6	161.5	-93	-178.3	-42.8	0	0	107.7
331	V	27.6	Very low	28.4	Very low	123 Å²	123	154.1 Å²	154.1	75%	0.745	79%	0.785	S	S	*	*			trans	-95.2	112.3	172.2	-176.3	0	0	0	0	107.8	E329	E329-V331 HydrophobicContact CB-CG2 4.31Å; E329-V331 PolarHBondContact O-N 2.87Å
332	E	25.1	Very low	28.2	Very low	165 Å²	165	154.3 Å²	154.3	77%	0.771	79%	0.793	S	S	*	*			trans	-59.9	139.8	175.3	-68	-178.2	153.1	0	0	111	N334	E332-N334 PolarHBondContact O-N 3.22Å
333	D	31.6	Very low	28.2	Very low	173 Å²	173	155.9 Å²	155.9	93%	0.925	80%	0.801	S	S	*	*	S	Bend	trans	-65.1	27.4	-170.6	-102.1	-26.3	0	0	0	116.2
334	N	27.8	Very low	28.6	Very low	130 Å²	130	157.2 Å²	157.2	70%	0.695	80%	0.8	S	S	*	*			trans	-105.7	96.1	-177.8	-74.9	-28.9	0	0	0	110.5	E332	E332-N334 PolarHBondContact O-N 3.22Å
335	L	29.4	Very low	29	Very low	134 Å²	134	157.5 Å²	157.5	70%	0.702	80%	0.797	S	S	*	*				151.4	107.8	115.1	-77.6	153.8	0	0	0	111.7	Q337	L335-Q337 PolarHBondContact O-N 2.96Å
336	L	32.8	Very low	29.2	Very low	186 Å²	186	156.2 Å²	156.2	97%	0.974	79%	0.785	S	S	*	*			trans	-48.1	82	139.9	-70.9	156	0	0	0	110
337	Q	29.5	Very low	29.4	Very low	161 Å²	161	153.1 Å²	153.1	75%	0.752	79%	0.788	S	S	*	*			trans	-129.6	113.2	159.1	-82	-171.5	-9.3	0	0	109.8	L335 D339	L335-Q337 PolarHBondContact O-N 2.96Å; Q337-D339 PolarHBondContact O-N 3.36Å
338	R	31.5	Very low	29.5	Very low	257 Å²	257	154 Å²	154	97%	0.97	78%	0.78	S	S	*	*			trans	-75.4	106	-178.6	-166.6	-176.9	-163.9	-176.7	3.2	106.9
339	D	31.3	Very low	29.5	Very low	135 Å²	135	151.4 Å²	151.4	72%	0.722	77%	0.772	S	S	*	*			trans	-129.9	147	167.1	-145.2	-11.1	0	0	0	111.7	Q337	Q337-D339 PolarHBondContact O-N 3.36Å
340	S	34.2	Very low	29.6	Very low	111 Å²	111	148.3 Å²	148.3	78%	0.776	76%	0.764	S	S	*	*			trans	-109.1	32.6	-136.6	47.3	0	0	0	0	114.4
341	S	30.4	Very low	29.5	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	76%	0.759	S	S	*	*			trans	-112.8	97.1	172.3	59.7	0	0	0	0	110.2	N343	S341-N343 PolarHBondContact O-N 2.94Å
342	Q	30	Very low	29.3	Very low	178 Å²	178	150 Å²	150	83%	0.832	76%	0.763	S	S	*	*			trans	-66.2	63.7	-173.5	-64.2	-171.4	-16.2	0	0	114.9
343	N	30.4	Very low	29.2	Very low	155 Å²	155	147.5 Å²	147.5	83%	0.829	76%	0.759	S	S	*	*			trans	-109.9	59.5	156	-76.7	-23	0	0	0	107.9	S341 D345	S341-N343 PolarHBondContact O-N 2.94Å; N343-D345 VanDerWaalsContact C-N 3.34Å; N343-D345 PolarHBondContact O-N 2.91Å
344	E	34.3	Very low	28.8	Very low	114 Å²	114	150 Å²	150	53%	0.533	76%	0.757	S	S	.	*			trans	-83.3	86.5	179.1	-67.3	-179.5	152	0	0	109.1	Y346	E344-Y346 VanDerWaalsContact C-N 3.31Å; E344-Y346 HydrophobicContact CB-CD2 3.65Å; E344-Y346 HydrophobicContact CB-CE2 3.37Å; E344-Y346 HydrophobicContact CG-CE2 4.18Å; E344-Y346 WeakPolarHBondContact O-CD2 3.25Å; E344-Y346 PolarHBondContact O-N 3.38Å; E344-Y346 VanDerWaalsContact O-N 3.12Å; E344-Y346 WeakPolarHBondContact OE2-CE2 3.37Å; E344-Y346 PolarHBondContact OE2-OH 3.34Å
345	D	34	Very low	28.5	Very low	135 Å²	135	152 Å²	152	72%	0.722	76%	0.762	S	S	*	*			trans	-55	102.8	141.7	-73.6	-40.6	0	0	0	106.6	N343 P347	N343-D345 VanDerWaalsContact C-N 3.34Å; N343-D345 PolarHBondContact O-N 2.91Å; D345-P347 WeakPolarHBondContact O-CD 3.45Å
346	Y	27.1	Very low	28.6	Very low	163 Å²	163	154.2 Å²	154.2	64%	0.639	79%	0.789	S	S	*	*			trans	-85.4	100	170.4	-81.9	-89.8	0	0	0	108.1	E344 F348	E344-Y346 VanDerWaalsContact C-N 3.31Å; E344-Y346 HydrophobicContact CB-CD2 3.65Å; E344-Y346 HydrophobicContact CB-CE2 3.37Å; E344-Y346 HydrophobicContact CG-CE2 4.18Å; E344-Y346 WeakPolarHBondContact O-CD2 3.25Å; E344-Y346 PolarHBondContact O-N 3.38Å; E344-Y346 VanDerWaalsContact O-N 3.12Å; E344-Y346 WeakPolarHBondContact OE2-CE2 3.37Å; E344-Y346 PolarHBondContact OE2-OH 3.34Å; Y346-F348 PolarHBondContact O-N 2.83Å
347	P	29.9	Very low	28.4	Very low	127 Å²	127	152.7 Å²	152.7	83%	0.825	78%	0.779	S	S	*	*			trans	-68.7	114.9	167.1	28.1	-33.4	0	0	0	108.4	D345	D345-P347 WeakPolarHBondContact O-CD 3.45Å
348	F	29.6	Very low	28.3	Very low	134 Å²	134	152.2 Å²	152.2	59%	0.588	78%	0.781	S	S	*	*			trans	-105.9	137.5	174.9	60.7	-90.2	0	0	0	111.1	F152 Y346 V350	F152-F348 HydrophobicContact CD1-CZ 4.38Å; F152-F348 HydrophobicContact CE1-CZ 4.34Å; Y346-F348 PolarHBondContact O-N 2.83Å; F348-V350 HydrophobicContact CD2-CG2 4.38Å; F348-V350 HydrophobicContact CE2-CG2 4.29Å
349	V	25.6	Very low	28.2	Very low	127 Å²	127	146.4 Å²	146.4	77%	0.77	77%	0.77	S	S	*	*			trans	-88.1	120.8	-175	178.9	0	0	0	0	110.1	K351	V349-K351 HydrophobicContact CG1-CG 4.39Å
350	V	25.3	Very low	28	Very low	105 Å²	105	147.1 Å²	147.1	64%	0.636	77%	0.773	S	S	*	*			trans	-90.1	107.8	171.7	-178.6	0	0	0	0	109	F348 M352	F348-V350 HydrophobicContact CD2-CG2 4.38Å; F348-V350 HydrophobicContact CE2-CG2 4.29Å; V350-M352 HydrophobicContact CG1-CG 4.06Å; V350-M352 PolarHBondContact O-N 3.02Å
351	K	22.3	Very low	27.6	Very low	190 Å²	190	149.3 Å²	149.3	83%	0.826	77%	0.773	S	S	*	*			trans	-86.7	101.1	170.1	-77.2	-175.8	178	178.4	0	109.6	V349 V353	V349-K351 HydrophobicContact CG1-CG 4.39Å; K351-V353 PolarHBondContact O-N 3.06Å
352	M	24.2	Very low	27.4	Very low	168 Å²	168	152.5 Å²	152.5	83%	0.828	78%	0.777	S	S	*	*			trans	-80.6	111.5	169.7	-63.6	-174.6	-71.4	0	0	108.9	V350	V350-M352 HydrophobicContact CG1-CG 4.06Å; V350-M352 PolarHBondContact O-N 3.02Å
353	V	21.9	Very low	27.2	Very low	113 Å²	113	150.6 Å²	150.6	69%	0.685	77%	0.773	S	S	*	*			trans	-91.3	104.6	171.8	-176.3	0	0	0	0	107.7	K351 H355	K351-V353 PolarHBondContact O-N 3.06Å; V353-H355 PolarHBondContact O-N 3.44Å
354	Y	22.4	Very low	27	Very low	225 Å²	225	150.3 Å²	150.3	88%	0.882	77%	0.769	S	S	*	*			trans	-74.7	110.1	168.3	-126.7	-95.1	0	0	0	107.6
355	H	23	Very low	26.4	Very low	173 Å²	173	153.3 Å²	153.3	80%	0.801	79%	0.788	S	S	*	*			trans	-85.8	109.8	164.8	-93.8	-68.4	0	0	0	107.9	V353	V353-H355 PolarHBondContact O-N 3.44Å
356	S	31.3	Very low	25.7	Very low	180 Å²	180	155 Å²	155	100%	1.259	79%	0.794	S	S	*	*			trans	-65.9	0	169.4	58.3	0	0	0	0	112

Retrieved 356 of 356 residues in 275.3 ms (Link to these results)

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