A0A096MBZ3_POEFO Loading...

L-2-hydroxyglutarate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A096MBZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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	35.8	Very low	29.5	Very low	242 Å²	242	167.4 Å²	167.4	100%	1.192	88%	0.881	S	S	*	*				0	118.7	0	-93.9	167.5	158.7	0	0	108.7
2	M	31.5	Very low	29.6	Very low	187 Å²	187	161.8 Å²	161.8	92%	0.921	88%	0.876	S	S	*	*			trans	40.2	103.9	161.2	-70.4	170.6	162.7	0	0	118.8
3	R	29.5	Very low	29.9	Very low	240 Å²	240	160.2 Å²	160.2	91%	0.906	88%	0.875	S	S	*	*				54.3	111	71.5	-80	-167.2	177.7	-169.4	0.7	116.8
4	S	28	Very low	30	Very low	103 Å²	103	158.3 Å²	158.3	72%	0.72	88%	0.877	S	S	*	*			trans	47.2	132.8	141.2	70.6	0	0	0	0	121.9
5	R	28.4	Very low	30.1	Very low	244 Å²	244	154.7 Å²	154.7	92%	0.921	88%	0.876	S	S	*	*				-167.6	114.6	110.5	-99.4	170.3	-171	-150.1	2.3	111.8
6	S	29.6	Very low	29.9	Very low	121 Å²	121	151.3 Å²	151.3	85%	0.846	87%	0.873	S	S	*	*			trans	-75.5	148.7	158.6	50.1	0	0	0	0	110.9
7	G	25.6	Very low	29.8	Very low	77 Å²	77	152.9 Å²	152.9	79%	0.794	87%	0.871	S	S	*	*			trans	122.4	139.5	150	0	0	0	0	0	116.4
8	A	27.9	Very low	29.8	Very low	91 Å²	91	151.2 Å²	151.2	75%	0.752	87%	0.866	S	S	*	*			trans	89.8	74.4	168.5	0	0	0	0	0	118.2
9	F	28.4	Very low	29.8	Very low	219 Å²	219	153.7 Å²	153.7	96%	0.961	87%	0.866	S	S	*	*			trans	-133.4	57.6	144.1	-89.3	-81.4	0	0	0	109.4
10	L	30.8	Very low	29.8	Very low	156 Å²	156	154.4 Å²	154.4	82%	0.817	87%	0.866	S	S	*	*			trans	-130.8	136.6	158.6	-103.6	95.3	0	0	0	106.4
11	N	29.1	Very low	30.2	Very low	161 Å²	161	155.1 Å²	155.1	86%	0.861	87%	0.868	S	S	*	*			trans	96.3	81.1	-179.7	-57.2	-18.8	0	0	0	116.3
12	A	30.3	Very low	30	Very low	100 Å²	100	153.9 Å²	153.9	83%	0.826	86%	0.855	S	S	*	*			trans	-156.7	50.2	148.8	0	0	0	0	0	111.5
13	V	33.4	Very low	29.9	Very low	142 Å²	142	148.3 Å²	148.3	86%	0.861	85%	0.846	S	S	*	*			trans	-142.1	81.2	164.7	-173.4	0	0	0	0	108.1
14	C	31.3	Very low	30.3	Very low	133 Å²	133	143.3 Å²	143.3	90%	0.899	84%	0.836	S	S	*	*			trans	-173.8	142.9	154.8	-114.5	0	0	0	0	109.6
15	A	31.7	Very low	30.7	Very low	104 Å²	104	142.4 Å²	142.4	86%	0.86	84%	0.835	S	S	*	*			trans	82.8	63	-178	0	0	0	0	0	116.7
16	A	26.7	Very low	31.1	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	83%	0.833	S	S	*	*			trans	-110.9	94.7	145.6	0	0	0	0	0	108
17	Q	28.3	Very low	32.2	Very low	180 Å²	180	136.8 Å²	136.8	84%	0.841	82%	0.815	S	S	*	*			trans	-62.8	132.8	165.3	-74.9	175	-28.2	0	0	108.6	K19	Q17-K19 PolarHBondContact O-N 2.98Å; Q17-K19 VanDerWaalsContact O-N 3.08Å
18	P	30.6	Very low	33.1	Very low	121 Å²	121	140.6 Å²	140.6	79%	0.786	81%	0.811	S	S	*	*			trans	-71.5	108.9	171	27.4	-28.6	0	0	0	108.2	L20	P18-L20 PolarHBondContact O-N 3.35Å
19	K	28.6	Very low	34.4	Very low	200 Å²	200	142.3 Å²	142.3	87%	0.87	81%	0.808	S	S	*	*			trans	-55.6	122.5	166.5	-77.5	-178.9	176.1	178.4	0	108	Q17 L21	Q17-K19 PolarHBondContact O-N 2.98Å; Q17-K19 VanDerWaalsContact O-N 3.08Å; K19-L21 PolarHBondContact O-N 3.5Å
20	L	30.9	Very low	35.9	Very low	166 Å²	166	135.9 Å²	135.9	87%	0.869	78%	0.78	S	S	*	*			trans	-47.5	127.9	173	-94.7	86.1	0	0	0	110.6	P18 K22	P18-L20 PolarHBondContact O-N 3.35Å; L20-K22 PolarHBondContact O-N 3.47Å
21	L	36.9	Very low	37.9	Very low	171 Å²	171	133.3 Å²	133.3	90%	0.895	78%	0.775	S	S	*	*			trans	-60.6	96.9	171.8	-71.8	151.7	0	0	0	110.1	K19	K19-L21 PolarHBondContact O-N 3.5Å
22	K	32.2	Very low	40.7	Very low	215 Å²	215	127.4 Å²	127.4	94%	0.935	75%	0.745	S	S	*	*			trans	-101	97.7	155	-86.1	-174.6	175.6	-178.7	0	107.3	L20	L20-K22 PolarHBondContact O-N 3.47Å
23	G	29.4	Very low	43.8	Very low	70 Å²	70	122.9 Å²	122.9	72%	0.722	71%	0.707	S	S	*	*			trans	168.4	57.5	179.2	0	0	0	0	0	112.1
24	I	37.9	Very low	46.8	Very low	136 Å²	136	116.9 Å²	116.9	70%	0.697	67%	0.67	S	S	*	*			trans	-96.8	111	164.9	-63.2	175	0	0	0	105.5	R27	I24-R27 HydrophobicContact CG2-CG 4.44Å
25	A	36.9	Very low	50	Low	84 Å²	84	110.6 Å²	110.6	69%	0.694	63%	0.627	S	S	*	*			trans	-52.6	138.8	165.8	0	0	0	0	0	109	R27	A25-R27 PolarHBondContact O-N 2.95Å
26	S	37.2	Very low	53.1	Low	127 Å²	127	105.6 Å²	105.6	89%	0.888	59%	0.586	S	S	*	*			trans	-54.4	103.1	-178.7	64	0	0	0	0	110.8
27	R	51.7	Low	56.6	Low	120 Å²	120	100.9 Å²	100.9	45%	0.453	55%	0.547	S	S	.	.			trans	-76.2	134.5	174.4	-67.8	176.7	177	-175.2	-6.1	108.3	I24 A25 L29 E191	I24-R27 HydrophobicContact CG2-CG 4.44Å; A25-R27 PolarHBondContact O-N 2.95Å; R27-L29 PolarHBondContact O-N 3.21Å; R27-E191 IonicContact CZ-OE1 3.63Å; R27-E191 IonicContact CZ-OE2 2.94Å; R27-E191 IonicContact NH1-OE1 3.5Å; R27-E191 PolarHBondContact NH1-OE1 3.41Å; R27-E191 IonicContact NH2-OE1 3.22Å; R27-E191 PolarHBondContact NH2-OE1 2.86Å; R27-E191 IonicContact NH2-OE2 2.65Å; R27-E191 PolarHBondContact NH2-OE2 3.25Å
28	Q	45	Very low	59.9	Low	156 Å²	156	92.7 Å²	92.7	73%	0.729	51%	0.51	S	S	*	.			trans	-68	101.9	168.7	-95.8	177.9	-24.2	0	0	108.3	H30	Q28-H30 PolarHBondContact O-N 3.31Å
29	L	54.1	Low	63.1	Low	128 Å²	128	87.5 Å²	87.5	67%	0.67	48%	0.478	S	S	*	.			trans	-69.2	107.6	163.6	-83.8	151.5	0	0	0	107.5	R27 L198	R27-L29 PolarHBondContact O-N 3.21Å; L29-L198 HydrophobicContact CD2-CD2 3.83Å
30	H	61	Low	66.4	Low	83 Å²	83	78 Å²	78	38%	0.384	44%	0.437	S	S	.	.			trans	-74.6	141.8	166.9	-64.3	-85	0	0	0	108.9	Q28 T32 Y33	Q28-H30 PolarHBondContact O-N 3.31Å; H30-T32 VanDerWaalsContact CB-O 3.32Å; H30-T32 WeakPolarHBondContact CB-O 3.48Å; H30-T32 PolarHBondContact O-N 3.22Å; H30-Y33 HydrophobicContact CB-CD1 4.42Å; H30-Y33 HydrophobicContact CB-CE1 3.9Å; H30-Y33 HydrophobicContact CB-CE2 4.35Å; H30-Y33 PolarHBondContact N-OH 3.19Å; H30-Y33 WeakPolarHBondContact O-CE2 3.45Å; H30-Y33 VanDerWaalsContact O-CZ 3.28Å; H30-Y33 PolarHBondContact O-OH 3.15Å
31	S	71.6	Confident	69.6	Low	102 Å²	102	71.1 Å²	71.1	71%	0.713	41%	0.406	S	S	*	.	S	Bend	trans	-74.9	-14.1	171	49.9	0	0	0	0	112.3
32	T	89.4	Confident	72.6	Confident	38 Å²	38	63.4 Å²	63.4	23%	0.233	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.8	-173.6	58.3	0	0	0	0	111.3	H30 H222 R235	H30-T32 VanDerWaalsContact CB-O 3.32Å; H30-T32 WeakPolarHBondContact CB-O 3.48Å; H30-T32 PolarHBondContact O-N 3.22Å; T32-H222 HydrophobicContact CG2-CB 4.4Å; T32-R235 CarbonylContact C-O 3.12Å; T32-R235 WeakPolarHBondContact CA-O 3.23Å; T32-R235 HydrophobicContact CG2-CB 4Å
33	Y	95.1	Very high	75.7	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.1	-178.8	-60.4	-91.3	0	0	0	113	H30 T59 V61 H222 V234 R235 C236 R237	H30-Y33 HydrophobicContact CB-CD1 4.42Å; H30-Y33 HydrophobicContact CB-CE1 3.9Å; H30-Y33 HydrophobicContact CB-CE2 4.35Å; H30-Y33 PolarHBondContact N-OH 3.19Å; H30-Y33 WeakPolarHBondContact O-CE2 3.45Å; H30-Y33 VanDerWaalsContact O-CZ 3.28Å; H30-Y33 PolarHBondContact O-OH 3.15Å; Y33-T59 WeakPolarHBondContact CA-OG1 3.14Å; Y33-V61 HydrophobicContact CD1-CB 3.67Å; Y33-V61 HydrophobicContact CD1-CG1 4.09Å; Y33-V61 HydrophobicContact CD2-CB 3.81Å; Y33-V61 HydrophobicContact CD2-CG1 3.57Å; Y33-V61 HydrophobicContact CD2-CG2 4.49Å; Y33-V61 HydrophobicContact CE1-CB 3.77Å; Y33-V61 HydrophobicContact CE1-CG2 4.42Å; Y33-V61 HydrophobicContact CE2-CB 3.92Å; Y33-V61 HydrophobicContact CE2-CG1 4.11Å; Y33-V61 HydrophobicContact CE2-CG2 4.19Å; Y33-V61 HydrophobicContact CG-CB 3.68Å; Y33-V61 HydrophobicContact CG-CG1 3.57Å; Y33-H222 PolarHBondContact O-CD2 3.36Å; Y33-V234 HydrophobicContact CD2-CG1 3.78Å; Y33-V234 HydrophobicContact CE2-CG1 4.06Å; Y33-R235 PolarHBondContact N-O 2.8Å; Y33-C236 CarbonylContact O-C 3.53Å; Y33-C236 WeakPolarHBondContact O-CA 3.04Å; Y33-C236 WeakPolarHBondContact O-CB 3.35Å; Y33-R237 PolarHBondContact O-N 2.85Å
34	D	96	Very high	79	Confident	17 Å²	17	50.8 Å²	50.8	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-49.2	173.8	-68.1	-75.4	0	0	0	111.4	L58 T59 R237 Y238	D34-L58 HydrophobicContact CB-CB 3.93Å; D34-L58 HydrophobicContact CB-CD2 4Å; D34-L58 HydrophobicContact CB-CG 4.39Å; D34-T59 WeakPolarHBondContact CA-O 3.37Å; D34-T59 WeakPolarHBondContact CB-O 3.38Å; D34-T59 PolarHBondContact N-O 3.22Å; D34-T59 PolarHBondContact N-OG1 2.71Å; D34-T59 PolarHBondContact OD2-N 3.19Å; D34-T59 PolarHBondContact OD2-OG1 3.33Å; D34-R237 VanDerWaalsContact O-CB 3.26Å; D34-R237 WeakPolarHBondContact O-CB 3.48Å; D34-R237 PolarHBondContact O-N 2.87Å; D34-R237 WeakPolarHBondContact OD1-CD 3.38Å; D34-R237 IonicContact OD1-NE 3.98Å; D34-R237 IonicContact OD1-NH1 3.39Å; D34-R237 PolarHBondContact OD1-NH1 3.03Å; D34-Y238 PolarHBondContact O-N 3.1Å
35	V	97.8	Very high	81.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.8	-176.9	-175.8	0	0	0	0	111.1	V37 T59 F60 V61 Y238 L447	V35-V37 HydrophobicContact CG1-CG2 4.49Å; V35-T59 PolarHBondContact N-O 2.91Å; V35-F60 HydrophobicContact CB-CD1 3.62Å; V35-F60 HydrophobicContact CB-CE1 3.59Å; V35-F60 HydrophobicContact CG1-CD1 4.1Å; V35-F60 HydrophobicContact CG1-CE1 4.04Å; V35-F60 HydrophobicContact CG2-CD1 4.32Å; V35-F60 HydrophobicContact CG2-CE1 3.81Å; V35-F60 HydrophobicContact CG2-CZ 4.38Å; V35-F60 WeakPolarHBondContact O-CA 3.38Å; V35-V61 PolarHBondContact O-N 3.44Å; V35-V61 VanDerWaalsContact O-N 3.08Å; V35-Y238 WeakPolarHBondContact CA-O 3.46Å; V35-Y238 HydrophobicContact CG2-CD2 4.5Å; V35-L447 HydrophobicContact CG2-CD1 4.39Å
36	A	98.3	Very high	84.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.8	169.3	0	0	0	0	0	111	V61 I226 C236 Y238 V239 L240	A36-V61 CarbonylContact C-O 3.55Å; A36-V61 WeakPolarHBondContact CA-O 3.18Å; A36-V61 HydrophobicContact CB-CG1 3.75Å; A36-I226 HydrophobicContact CB-CD1 3.52Å; A36-C236 HydrophobicContact CB-CB 4.08Å; A36-Y238 PolarHBondContact N-O 3.46Å; A36-V239 CarbonylContact O-C 3.51Å; A36-V239 VanDerWaalsContact O-CA 3.31Å; A36-V239 WeakPolarHBondContact O-CA 3.5Å; A36-L240 PolarHBondContact O-N 3.42Å
37	V	98.8	Very high	87.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.3	173.4	-175.2	0	0	0	0	109.4	V35 A48 V61 L62 L63 L240	V35-V37 HydrophobicContact CG1-CG2 4.49Å; V37-A48 HydrophobicContact CB-CB 4.28Å; V37-A48 HydrophobicContact CG1-CB 4.3Å; V37-A48 HydrophobicContact CG2-CB 3.96Å; V37-V61 PolarHBondContact N-O 3.49Å; V37-L62 HydrophobicContact CG1-CD1 4.44Å; V37-L62 CarbonylContact O-C 3.58Å; V37-L62 VanDerWaalsContact O-CA 3.26Å; V37-L62 WeakPolarHBondContact O-CA 3.47Å; V37-L63 PolarHBondContact O-N 3.29Å; V37-L240 CarbonylContact C-O 3.59Å; V37-L240 VanDerWaalsContact CA-O 3.27Å; V37-L240 WeakPolarHBondContact CA-O 3.5Å; V37-L240 HydrophobicContact CG1-CD2 4.33Å; V37-L240 HydrophobicContact CG1-CG 4.5Å; V37-L240 HydrophobicContact CG2-CB 4.41Å; V37-L240 HydrophobicContact CG2-CD2 4.38Å
38	V	98.6	Very high	90	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.4	-179.1	-177.1	0	0	0	0	110.2	L63 V203 V239 L240 T241 C242 L250	V38-L63 HydrophobicContact CG2-CD1 4.37Å; V38-V203 HydrophobicContact CB-CG2 4.44Å; V38-V203 HydrophobicContact CG1-CB 4.09Å; V38-V203 HydrophobicContact CG1-CG2 3.61Å; V38-V203 HydrophobicContact CG2-CG2 3.95Å; V38-V239 HydrophobicContact CG2-CG1 3.84Å; V38-L240 PolarHBondContact N-O 2.87Å; V38-T241 HydrophobicContact CB-CG2 4.14Å; V38-T241 HydrophobicContact CG2-CG2 4.28Å; V38-C242 CarbonylContact O-C 3.52Å; V38-C242 PolarHBondContact O-N 2.75Å; V38-L250 HydrophobicContact CG1-CD1 3.91Å; V38-L250 HydrophobicContact CG1-CD2 4.43Å
39	G	98.4	Very high	92.6	Very high	12 Å²	12	22.3 Å²	22.3	12%	0.124	13%	0.132	C	C	.	.			trans	112	110.4	177.4	0	0	0	0	0	113.1	G41 G44 L63	G39-G41 PolarHBondContact O-N 3.04Å; G39-G44 WeakPolarHBondContact O-CA 3.47Å; G39-L63 PolarHBondContact N-O 2.92Å
40	G	98.3	Very high	94.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.106	C	C	.	.			trans	-86.3	32.3	177.3	0	0	0	0	0	114.2	L45 E64 A70	G40-L45 WeakPolarHBondContact O-CD1 3.35Å; G40-E64 WeakPolarHBondContact CA-OE2 3.47Å; G40-E64 PolarHBondContact N-OE2 3.05Å; G40-A70 PolarHBondContact O-N 3.02Å
41	G	98.1	Very high	96.5	Very high	22 Å²	22	13.5 Å²	13.5	23%	0.227	9%	0.088	C	C	.	.	S	Bend	trans	-82.2	171	167.3	0	0	0	0	0	111.9	G39 V43 G44 L45	G39-G41 PolarHBondContact O-N 3.04Å; G41-V43 PolarHBondContact O-N 3.39Å; G41-V43 VanDerWaalsContact O-N 3.14Å; G41-G44 PolarHBondContact O-N 3.04Å; G41-G44 VanDerWaalsContact O-N 3.13Å; G41-L45 WeakPolarHBondContact O-CB 3.36Å; G41-L45 WeakPolarHBondContact O-CG 3.39Å; G41-L45 PolarHBondContact O-N 2.93Å
42	I	98.3	Very high	97.8	Very high	8 Å²	8	9 Å²	9	4%	0.041	6%	0.056	C	C	.	.	H	α-helix	trans	-57	-33.8	-176.2	-163.2	167.9	0	0	0	113.6	A46 S74 W179 V182 A183 Y186 A427	I42-A46 WeakPolarHBondContact O-CB 3.42Å; I42-A46 PolarHBondContact O-N 3.02Å; I42-S74 WeakPolarHBondContact CB-OG 3.19Å; I42-S74 WeakPolarHBondContact CG2-OG 3.37Å; I42-S74 PolarHBondContact N-OG 3.29Å; I42-W179 HydrophobicContact CD1-CB 4.48Å; I42-W179 HydrophobicContact CD1-CD2 4.4Å; I42-W179 HydrophobicContact CD1-CE3 3.69Å; I42-W179 HydrophobicContact CD1-CZ3 4.37Å; I42-V182 HydrophobicContact CD1-CG1 4.45Å; I42-A183 HydrophobicContact CB-CB 4.02Å; I42-A183 HydrophobicContact CD1-CB 4.42Å; I42-A183 HydrophobicContact CG1-CB 4Å; I42-Y186 HydrophobicContact CD1-CE2 4.14Å; I42-Y186 HydrophobicContact CG1-CD2 4.01Å; I42-Y186 HydrophobicContact CG1-CE2 3.69Å; I42-A427 HydrophobicContact CD1-CB 4.2Å
43	V	98.1	Very high	98.2	Very high	21 Å²	21	11.3 Å²	11.3	13%	0.127	6%	0.064	C	C	.	.	H	α-helix	trans	-69.1	-52.8	176.5	177.7	0	0	0	0	110.2	G41 L45 A46 S47 C242 A422 A426 I433 I437	G41-V43 PolarHBondContact O-N 3.39Å; G41-V43 VanDerWaalsContact O-N 3.14Å; V43-L45 VanDerWaalsContact C-N 3.34Å; V43-L45 PolarHBondContact O-N 3.42Å; V43-A46 PolarHBondContact O-N 3.11Å; V43-S47 WeakPolarHBondContact O-CB 3.3Å; V43-S47 PolarHBondContact O-N 2.97Å; V43-S47 PolarHBondContact O-OG 3.33Å; V43-S47 VanDerWaalsContact O-OG 3.09Å; V43-C242 HydrophobicContact CG1-CB 4.36Å; V43-A422 HydrophobicContact CG2-CB 4.11Å; V43-A426 HydrophobicContact CG2-CB 4.24Å; V43-I433 HydrophobicContact CG1-CG2 4.16Å; V43-I437 HydrophobicContact CG1-CD1 3.69Å
44	G	98.4	Very high	98.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.7	-39.4	179.4	0	0	0	0	0	113	G39 G41 S47 A48	G39-G44 WeakPolarHBondContact O-CA 3.47Å; G41-G44 PolarHBondContact O-N 3.04Å; G41-G44 VanDerWaalsContact O-N 3.13Å; G44-S47 PolarHBondContact O-N 2.89Å; G44-A48 VanDerWaalsContact O-CB 3.26Å; G44-A48 WeakPolarHBondContact O-CB 3.39Å; G44-A48 PolarHBondContact O-N 2.85Å
45	L	98.8	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.4	-42	176.2	-70	164.6	0	0	0	112.5	G40 G41 V43 R49 L62 L69 A183	G40-L45 WeakPolarHBondContact O-CD1 3.35Å; G41-L45 WeakPolarHBondContact O-CB 3.36Å; G41-L45 WeakPolarHBondContact O-CG 3.39Å; G41-L45 PolarHBondContact O-N 2.93Å; V43-L45 VanDerWaalsContact C-N 3.34Å; V43-L45 PolarHBondContact O-N 3.42Å; L45-R49 VanDerWaalsContact O-CB 3.24Å; L45-R49 WeakPolarHBondContact O-CB 3.33Å; L45-R49 PolarHBondContact O-N 2.86Å; L45-L62 HydrophobicContact CD2-CD1 3.61Å; L45-L62 HydrophobicContact CG-CD1 4.25Å; L45-L69 HydrophobicContact CD1-CB 4.29Å; L45-L69 HydrophobicContact CD1-CD1 4.48Å; L45-L69 HydrophobicContact CD2-CD1 3.87Å; L45-L69 HydrophobicContact CD2-CD2 4.2Å; L45-A183 HydrophobicContact CD1-CB 4Å; L45-A183 WeakPolarHBondContact CD1-O 3.48Å
46	A	98.8	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-43.5	176	0	0	0	0	0	111	I42 V43 R49 E50 Y186 A434	I42-A46 WeakPolarHBondContact O-CB 3.42Å; I42-A46 PolarHBondContact O-N 3.02Å; V43-A46 PolarHBondContact O-N 3.11Å; A46-R49 PolarHBondContact O-N 2.93Å; A46-E50 WeakPolarHBondContact O-CB 3.41Å; A46-E50 PolarHBondContact O-N 3.2Å; A46-Y186 HydrophobicContact CB-CD2 3.88Å; A46-Y186 HydrophobicContact CB-CE2 3.9Å; A46-A434 HydrophobicContact CB-CB 3.74Å; A46-A434 WeakPolarHBondContact O-CB 3.28Å
47	S	98.6	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-44.9	176.6	-62.3	0	0	0	0	112.6	V43 G44 R49 E50 L51 I437	V43-S47 WeakPolarHBondContact O-CB 3.3Å; V43-S47 PolarHBondContact O-N 2.97Å; V43-S47 PolarHBondContact O-OG 3.33Å; V43-S47 VanDerWaalsContact O-OG 3.09Å; G44-S47 PolarHBondContact O-N 2.89Å; S47-R49 VanDerWaalsContact C-N 3.32Å; S47-R49 PolarHBondContact O-N 2.9Å; S47-E50 PolarHBondContact O-N 3.19Å; S47-L51 WeakPolarHBondContact O-CB 3.39Å; S47-L51 WeakPolarHBondContact O-CG 3.49Å; S47-L51 PolarHBondContact O-N 2.88Å; S47-I437 VanDerWaalsContact OG-CD1 3.27Å; S47-I437 WeakPolarHBondContact OG-CD1 3.29Å
48	A	98.8	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-44.1	176.6	0	0	0	0	0	111.4	V37 G44 I52 L62 F190	V37-A48 HydrophobicContact CB-CB 4.28Å; V37-A48 HydrophobicContact CG1-CB 4.3Å; V37-A48 HydrophobicContact CG2-CB 3.96Å; G44-A48 VanDerWaalsContact O-CB 3.26Å; G44-A48 WeakPolarHBondContact O-CB 3.39Å; G44-A48 PolarHBondContact O-N 2.85Å; A48-I52 WeakPolarHBondContact O-CG2 3.45Å; A48-I52 PolarHBondContact O-N 2.99Å; A48-I52 VanDerWaalsContact O-N 3.09Å; A48-L62 HydrophobicContact CB-CD1 4.03Å; A48-F190 HydrophobicContact CB-CD2 3.79Å; A48-F190 HydrophobicContact CB-CE2 3.87Å; A48-F190 HydrophobicContact CB-CG 4.23Å; A48-F190 HydrophobicContact CB-CZ 4.35Å; A48-F190 WeakPolarHBondContact O-CD2 3.39Å
49	R	98.6	Very high	97.9	Very high	24 Å²	24	28.2 Å²	28.2	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-43.8	175.5	177.7	-167.7	164.9	-69	-12	112.2	L45 A46 S47 I52 Q53 D189 F190	L45-R49 VanDerWaalsContact O-CB 3.24Å; L45-R49 WeakPolarHBondContact O-CB 3.33Å; L45-R49 PolarHBondContact O-N 2.86Å; A46-R49 PolarHBondContact O-N 2.93Å; S47-R49 VanDerWaalsContact C-N 3.32Å; S47-R49 PolarHBondContact O-N 2.9Å; R49-I52 WeakPolarHBondContact O-CG2 3.43Å; R49-Q53 VanDerWaalsContact CZ-OE1 3.24Å; R49-Q53 VanDerWaalsContact NH1-OE1 3.15Å; R49-Q53 WeakPolarHBondContact O-CB 3.3Å; R49-Q53 VanDerWaalsContact O-CD 3.3Å; R49-Q53 WeakPolarHBondContact O-CG 3.49Å; R49-Q53 PolarHBondContact O-N 2.9Å; R49-D189 HydrophobicContact CG-CB 3.93Å; R49-D189 IonicContact CZ-OD2 3.95Å; R49-D189 IonicContact NE-OD2 3.85Å; R49-D189 PolarHBondContact NE-OD2 3.31Å; R49-D189 IonicContact NH2-OD2 3.27Å; R49-F190 HydrophobicContact CB-CB 4.45Å
50	E	98.7	Very high	97.9	Very high	27 Å²	27	27.8 Å²	27.8	13%	0.126	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-49.4	179.6	-174.8	65.9	-165.8	0	0	111	A46 S47 I52 Q53 R54 A434 E435 S438	A46-E50 WeakPolarHBondContact O-CB 3.41Å; A46-E50 PolarHBondContact O-N 3.2Å; S47-E50 PolarHBondContact O-N 3.19Å; E50-I52 PolarHBondContact O-N 3.14Å; E50-Q53 PolarHBondContact O-N 2.87Å; E50-Q53 VanDerWaalsContact O-N 3.15Å; E50-R54 WeakPolarHBondContact O-CG 3.45Å; E50-R54 PolarHBondContact O-N 3.28Å; E50-R54 VanDerWaalsContact O-N 3.08Å; E50-R54 IonicContact OE1-CZ 2.59Å; E50-R54 IonicContact OE1-NE 3.07Å; E50-R54 PolarHBondContact OE1-NE 2.71Å; E50-R54 IonicContact OE1-NH2 3.3Å; E50-R54 PolarHBondContact OE1-NH2 2.75Å; E50-A434 HydrophobicContact CB-CB 3.97Å; E50-A434 HydrophobicContact CG-CB 4.48Å; E50-E435 HydrophobicContact CG-CG 4.45Å; E50-S438 WeakPolarHBondContact CG-OG 3.49Å
51	L	98.6	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-46.6	-179.5	-74.8	169.2	0	0	0	112.9	S47 Q53 R54 H55 F60 L240 V441	S47-L51 WeakPolarHBondContact O-CB 3.39Å; S47-L51 WeakPolarHBondContact O-CG 3.49Å; S47-L51 PolarHBondContact O-N 2.88Å; L51-Q53 VanDerWaalsContact C-N 3.25Å; L51-Q53 PolarHBondContact O-N 3.46Å; L51-R54 PolarHBondContact O-N 2.82Å; L51-H55 PolarHBondContact O-CD2 3.28Å; L51-H55 PolarHBondContact O-N 3.02Å; L51-F60 HydrophobicContact CB-CE1 3.69Å; L51-F60 HydrophobicContact CB-CZ 4.1Å; L51-L240 HydrophobicContact CD1-CD2 3.86Å; L51-V441 HydrophobicContact CD1-CG1 4.33Å; L51-V441 HydrophobicContact CD1-CG2 4.47Å; L51-V441 HydrophobicContact CD2-CB 4.03Å; L51-V441 HydrophobicContact CD2-CG1 3.73Å
52	I	98.4	Very high	97.9	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-29.4	180	-163.5	165.8	0	0	0	112.3	A48 R49 E50 H55 F60 F190 A193 G195	A48-I52 WeakPolarHBondContact O-CG2 3.45Å; A48-I52 PolarHBondContact O-N 2.99Å; A48-I52 VanDerWaalsContact O-N 3.09Å; R49-I52 WeakPolarHBondContact O-CG2 3.43Å; E50-I52 PolarHBondContact O-N 3.14Å; I52-H55 CarbonylContact O-C 3.51Å; I52-F60 HydrophobicContact CB-CD2 3.87Å; I52-F60 HydrophobicContact CB-CE2 3.97Å; I52-F60 HydrophobicContact CB-CG 4.31Å; I52-F60 HydrophobicContact CD1-CB 4.32Å; I52-F60 HydrophobicContact CD1-CD2 3.87Å; I52-F60 HydrophobicContact CD1-CG 4.37Å; I52-F60 HydrophobicContact CG1-CD2 3.61Å; I52-F60 HydrophobicContact CG1-CE2 3.9Å; I52-F60 HydrophobicContact CG1-CG 4.37Å; I52-F190 HydrophobicContact CB-CD2 4.14Å; I52-F190 HydrophobicContact CB-CE2 4.21Å; I52-F190 HydrophobicContact CD1-CD2 4.12Å; I52-F190 HydrophobicContact CD1-CE2 3.95Å; I52-F190 HydrophobicContact CG2-CD2 3.72Å; I52-F190 HydrophobicContact CG2-CE2 4.3Å; I52-A193 HydrophobicContact CD1-CB 4.02Å; I52-A193 WeakPolarHBondContact CD1-O 3.46Å; I52-A193 HydrophobicContact CG1-CB 4.11Å; I52-A193 HydrophobicContact CG2-CB 3.7Å; I52-G195 VanDerWaalsContact CD1-N 3.25Å
53	Q	98.1	Very high	98	Very high	86 Å²	86	26.4 Å²	26.4	40%	0.402	15%	0.15	S	C	.	.	H	α-helix	trans	-72.5	-32.8	176.4	-75.6	171.1	7.2	0	0	112	R49 E50 L51	R49-Q53 VanDerWaalsContact CZ-OE1 3.24Å; R49-Q53 VanDerWaalsContact NH1-OE1 3.15Å; R49-Q53 WeakPolarHBondContact O-CB 3.3Å; R49-Q53 VanDerWaalsContact O-CD 3.3Å; R49-Q53 WeakPolarHBondContact O-CG 3.49Å; R49-Q53 PolarHBondContact O-N 2.9Å; E50-Q53 PolarHBondContact O-N 2.87Å; E50-Q53 VanDerWaalsContact O-N 3.15Å; L51-Q53 VanDerWaalsContact C-N 3.25Å; L51-Q53 PolarHBondContact O-N 3.46Å
54	R	98.3	Very high	98	Very high	76 Å²	76	26 Å²	26	29%	0.287	15%	0.148	S	C	.	.	H	α-helix	trans	-80.2	-33.9	176.7	-65.5	-175.6	-174.4	-164	0.1	113.1	E50 L51 P56 D439 E442	E50-R54 WeakPolarHBondContact O-CG 3.45Å; E50-R54 PolarHBondContact O-N 3.28Å; E50-R54 VanDerWaalsContact O-N 3.08Å; E50-R54 IonicContact OE1-CZ 2.59Å; E50-R54 IonicContact OE1-NE 3.07Å; E50-R54 PolarHBondContact OE1-NE 2.71Å; E50-R54 IonicContact OE1-NH2 3.3Å; E50-R54 PolarHBondContact OE1-NH2 2.75Å; L51-R54 PolarHBondContact O-N 2.82Å; R54-P56 VanDerWaalsContact C-CD 3.44Å; R54-P56 WeakPolarHBondContact O-CD 3.47Å; R54-D439 IonicContact CZ-OD1 2.72Å; R54-D439 IonicContact NH1-OD1 3.99Å; R54-D439 PolarHBondContact NH1-OD1 3.11Å; R54-D439 IonicContact NH2-OD1 3.44Å; R54-D439 PolarHBondContact NH2-OD1 2.77Å; R54-E442 WeakPolarHBondContact CD-OE1 3.45Å; R54-E442 IonicContact CZ-OE1 2.97Å; R54-E442 IonicContact NE-OE1 3.94Å; R54-E442 IonicContact NH1-OE1 3.34Å; R54-E442 PolarHBondContact NH1-OE1 2.97Å; R54-E442 IonicContact NH1-OE2 3.88Å
55	H	97.8	Very high	98	Very high	25 Å²	25	28.7 Å²	28.7	12%	0.116	16%	0.159	C	C	.	.			trans	-122.9	67.5	-177.3	-54	-88.1	0	0	0	112	L51 I52 A57 L58 F60 E442	L51-H55 PolarHBondContact O-CD2 3.28Å; L51-H55 PolarHBondContact O-N 3.02Å; I52-H55 CarbonylContact O-C 3.51Å; H55-A57 PolarHBondContact O-N 2.79Å; H55-L58 HydrophobicContact CB-CB 4.22Å; H55-L58 HydrophobicContact CB-CD1 3.65Å; H55-L58 HydrophobicContact CB-CG 3.87Å; H55-L58 PolarHBondContact O-N 3.06Å; H55-F60 HydrophobicContact CB-CZ 4.27Å; H55-E442 VanDerWaalsContact NE2-CG 3.27Å; H55-E442 WeakPolarHBondContact NE2-CG 3.32Å; H55-E442 IonicContact NE2-OE1 2.69Å; H55-E442 PolarHBondContact NE2-OE1 2.85Å
56	P	96.2	Very high	97.9	Very high	108 Å²	108	31.5 Å²	31.5	70%	0.701	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.8	-175.4	27.9	-36.8	0	0	0	114.2	R54	R54-P56 VanDerWaalsContact C-CD 3.44Å; R54-P56 WeakPolarHBondContact O-CD 3.47Å
57	A	95.1	Very high	97.9	Very high	97 Å²	97	38.8 Å²	38.8	80%	0.802	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-14.1	176.3	0	0	0	0	0	113.6	H55	H55-A57 PolarHBondContact O-N 2.79Å
58	L	95.6	Very high	97.8	Very high	35 Å²	35	44.4 Å²	44.4	18%	0.183	23%	0.23	C	C	.	.	S	Bend	trans	-89.6	150.3	179.1	-62.4	-177.1	0	0	0	110.9	D34 H55 F60 L447	D34-L58 HydrophobicContact CB-CB 3.93Å; D34-L58 HydrophobicContact CB-CD2 4Å; D34-L58 HydrophobicContact CB-CG 4.39Å; H55-L58 HydrophobicContact CB-CB 4.22Å; H55-L58 HydrophobicContact CB-CD1 3.65Å; H55-L58 HydrophobicContact CB-CG 3.87Å; H55-L58 PolarHBondContact O-N 3.06Å; L58-F60 HydrophobicContact CB-CD2 4.38Å; L58-F60 HydrophobicContact CB-CE2 3.58Å; L58-F60 HydrophobicContact CB-CZ 3.92Å; L58-F60 HydrophobicContact CD1-CZ 4.39Å; L58-F60 VanDerWaalsContact O-CD2 3.29Å; L58-F60 WeakPolarHBondContact O-CD2 3.35Å; L58-F60 WeakPolarHBondContact O-CE2 3.48Å; L58-L447 HydrophobicContact CD1-CD1 4.17Å; L58-L447 HydrophobicContact CD1-CD2 4.09Å
59	T	96.4	Very high	97.8	Very high	44 Å²	44	45.4 Å²	45.4	27%	0.27	24%	0.235	S	C	.	.			trans	-93.6	134.7	175.5	53.1	0	0	0	0	111.3	Y33 D34 V35	Y33-T59 WeakPolarHBondContact CA-OG1 3.14Å; D34-T59 WeakPolarHBondContact CA-O 3.37Å; D34-T59 WeakPolarHBondContact CB-O 3.38Å; D34-T59 PolarHBondContact N-O 3.22Å; D34-T59 PolarHBondContact N-OG1 2.71Å; D34-T59 PolarHBondContact OD2-N 3.19Å; D34-T59 PolarHBondContact OD2-OG1 3.33Å; V35-T59 PolarHBondContact N-O 2.91Å
60	F	98.1	Very high	97.8	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.5	-174.7	-66.2	-96.8	0	0	0	112.7	V35 L51 I52 H55 L58 F190 T196	V35-F60 HydrophobicContact CB-CD1 3.62Å; V35-F60 HydrophobicContact CB-CE1 3.59Å; V35-F60 HydrophobicContact CG1-CD1 4.1Å; V35-F60 HydrophobicContact CG1-CE1 4.04Å; V35-F60 HydrophobicContact CG2-CD1 4.32Å; V35-F60 HydrophobicContact CG2-CE1 3.81Å; V35-F60 HydrophobicContact CG2-CZ 4.38Å; V35-F60 WeakPolarHBondContact O-CA 3.38Å; L51-F60 HydrophobicContact CB-CE1 3.69Å; L51-F60 HydrophobicContact CB-CZ 4.1Å; I52-F60 HydrophobicContact CB-CD2 3.87Å; I52-F60 HydrophobicContact CB-CE2 3.97Å; I52-F60 HydrophobicContact CB-CG 4.31Å; I52-F60 HydrophobicContact CD1-CB 4.32Å; I52-F60 HydrophobicContact CD1-CD2 3.87Å; I52-F60 HydrophobicContact CD1-CG 4.37Å; I52-F60 HydrophobicContact CG1-CD2 3.61Å; I52-F60 HydrophobicContact CG1-CE2 3.9Å; I52-F60 HydrophobicContact CG1-CG 4.37Å; H55-F60 HydrophobicContact CB-CZ 4.27Å; L58-F60 HydrophobicContact CB-CD2 4.38Å; L58-F60 HydrophobicContact CB-CE2 3.58Å; L58-F60 HydrophobicContact CB-CZ 3.92Å; L58-F60 HydrophobicContact CD1-CZ 4.39Å; L58-F60 VanDerWaalsContact O-CD2 3.29Å; L58-F60 WeakPolarHBondContact O-CD2 3.35Å; L58-F60 WeakPolarHBondContact O-CE2 3.48Å; F60-F190 HydrophobicContact CB-CE2 3.56Å; F60-F190 HydrophobicContact CB-CZ 3.63Å; F60-F190 HydrophobicContact CG-CE2 4.21Å; F60-T196 PolarHBondContact O-N 3.42Å
61	V	98.4	Very high	97.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.3	168.8	63.3	0	0	0	0	110.7	Y33 V35 A36 V37 L63 T196 L198 V234	Y33-V61 HydrophobicContact CD1-CB 3.67Å; Y33-V61 HydrophobicContact CD1-CG1 4.09Å; Y33-V61 HydrophobicContact CD2-CB 3.81Å; Y33-V61 HydrophobicContact CD2-CG1 3.57Å; Y33-V61 HydrophobicContact CD2-CG2 4.49Å; Y33-V61 HydrophobicContact CE1-CB 3.77Å; Y33-V61 HydrophobicContact CE1-CG2 4.42Å; Y33-V61 HydrophobicContact CE2-CB 3.92Å; Y33-V61 HydrophobicContact CE2-CG1 4.11Å; Y33-V61 HydrophobicContact CE2-CG2 4.19Å; Y33-V61 HydrophobicContact CG-CB 3.68Å; Y33-V61 HydrophobicContact CG-CG1 3.57Å; V35-V61 PolarHBondContact O-N 3.44Å; V35-V61 VanDerWaalsContact O-N 3.08Å; A36-V61 CarbonylContact C-O 3.55Å; A36-V61 WeakPolarHBondContact CA-O 3.18Å; A36-V61 HydrophobicContact CB-CG1 3.75Å; V37-V61 PolarHBondContact N-O 3.49Å; V61-L63 HydrophobicContact CG2-CD2 3.7Å; V61-T196 CarbonylContact C-O 3.5Å; V61-T196 VanDerWaalsContact CA-O 3.28Å; V61-T196 WeakPolarHBondContact CA-O 3.48Å; V61-T196 HydrophobicContact CG2-CG2 4.34Å; V61-L198 HydrophobicContact CG2-CD1 3.85Å; V61-L198 HydrophobicContact CG2-CG 3.94Å; V61-V234 HydrophobicContact CG1-CG1 3.85Å
62	L	98.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.5	169.8	-176.7	147.6	0	0	0	109.6	V37 L45 A48 E64 L69 F190 T196 V197 L198	V37-L62 HydrophobicContact CG1-CD1 4.44Å; V37-L62 CarbonylContact O-C 3.58Å; V37-L62 VanDerWaalsContact O-CA 3.26Å; V37-L62 WeakPolarHBondContact O-CA 3.47Å; L45-L62 HydrophobicContact CD2-CD1 3.61Å; L45-L62 HydrophobicContact CG-CD1 4.25Å; A48-L62 HydrophobicContact CB-CD1 4.03Å; L62-E64 HydrophobicContact CD2-CB 4.22Å; L62-L69 HydrophobicContact CD2-CD2 3.8Å; L62-F190 HydrophobicContact CB-CE1 3.91Å; L62-F190 HydrophobicContact CB-CZ 4.37Å; L62-T196 PolarHBondContact N-O 2.95Å; L62-V197 HydrophobicContact CB-CG2 4.38Å; L62-V197 HydrophobicContact CD2-CG1 4.09Å; L62-L198 PolarHBondContact O-N 2.8Å
63	L	98.5	Very high	97.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.3	-179.2	-52.3	178.9	0	0	0	109.5	V37 V38 G39 V61 L198 F201 V203 I226 V234	V37-L63 PolarHBondContact O-N 3.29Å; V38-L63 HydrophobicContact CG2-CD1 4.37Å; G39-L63 PolarHBondContact N-O 2.92Å; V61-L63 HydrophobicContact CG2-CD2 3.7Å; L63-L198 HydrophobicContact CD2-CB 3.97Å; L63-L198 HydrophobicContact CD2-CD1 3.84Å; L63-L198 HydrophobicContact CD2-CG 4.28Å; L63-F201 HydrophobicContact CB-CD1 4.09Å; L63-F201 HydrophobicContact CD1-CD1 3.94Å; L63-F201 HydrophobicContact CD1-CE1 3.81Å; L63-F201 HydrophobicContact CD2-CD1 4.17Å; L63-F201 HydrophobicContact CD2-CG 4.23Å; L63-F201 HydrophobicContact CG-CD1 4.28Å; L63-V203 HydrophobicContact CB-CG2 4.28Å; L63-V203 HydrophobicContact CD1-CG2 3.94Å; L63-I226 HydrophobicContact CD1-CB 4.32Å; L63-I226 HydrophobicContact CD1-CD1 3.95Å; L63-I226 HydrophobicContact CD1-CG2 3.85Å; L63-V234 HydrophobicContact CD2-CG2 4.14Å
64	E	98.6	Very high	97.2	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.065	24%	0.241	C	C	.	.			trans	-124.8	133.9	177.4	173.2	52.7	-112.1	0	0	109.6	G40 L62 E66 L69 L198 T199 E200 F201	G40-E64 WeakPolarHBondContact CA-OE2 3.47Å; G40-E64 PolarHBondContact N-OE2 3.05Å; L62-E64 HydrophobicContact CD2-CB 4.22Å; E64-E66 HydrophobicContact CG-CB 4.18Å; E64-E66 WeakPolarHBondContact OE1-CB 3.45Å; E64-E66 PolarHBondContact OE1-N 3.23Å; E64-L69 HydrophobicContact CB-CD2 3.98Å; E64-L69 HydrophobicContact CG-CD2 4.11Å; E64-L198 PolarHBondContact N-O 3.12Å; E64-T199 HydrophobicContact CB-CG2 4.38Å; E64-T199 HydrophobicContact CG-CG2 4.5Å; E64-T199 CarbonylContact O-C 3.47Å; E64-T199 VanDerWaalsContact O-C 3.23Å; E64-T199 VanDerWaalsContact O-CA 3.29Å; E64-T199 WeakPolarHBondContact O-CA 3.44Å; E64-E200 PolarHBondContact O-N 3.31Å; E64-F201 CarbonylContact C-O 3.48Å; E64-F201 PolarHBondContact O-N 2.88Å
65	K	98	Very high	97	Very high	56 Å²	56	42.7 Å²	42.7	24%	0.243	24%	0.24	C	C	.	.	S	Bend	trans	-76.7	-30.9	-179.1	70.7	171.9	-168.4	156.2	0	112.5	H72 E200 E202 E320	K65-H72 WeakPolarHBondContact CE-NE2 3.32Å; K65-E200 WeakPolarHBondContact O-CA 3.24Å; K65-E202 HydrophobicContact CB-CB 3.82Å; K65-E202 HydrophobicContact CB-CG 4.07Å; K65-E202 HydrophobicContact CD-CG 4.45Å; K65-E320 WeakPolarHBondContact CE-OE1 3.42Å; K65-E320 IonicContact NZ-OE1 3.18Å; K65-E320 PolarHBondContact NZ-OE1 2.82Å; K65-E320 IonicContact NZ-OE2 2.67Å; K65-E320 PolarHBondContact NZ-OE2 3.09Å
66	E	98.1	Very high	96.8	Very high	59 Å²	59	44.7 Å²	44.7	28%	0.276	25%	0.249	S	C	.	.	S	Bend	trans	-78.8	162.2	-178.9	-65.2	-59.1	148	0	0	111.1	E64 E68 A71 H72 T199 E200	E64-E66 HydrophobicContact CG-CB 4.18Å; E64-E66 WeakPolarHBondContact OE1-CB 3.45Å; E64-E66 PolarHBondContact OE1-N 3.23Å; E66-E68 WeakPolarHBondContact CB-O 3.5Å; E66-E68 PolarHBondContact O-N 3.04Å; E66-A71 HydrophobicContact CB-CB 4.13Å; E66-A71 HydrophobicContact CG-CB 4.01Å; E66-H72 VanDerWaalsContact CG-NE2 3.28Å; E66-H72 WeakPolarHBondContact CG-NE2 3.47Å; E66-H72 IonicContact OE1-CE1 3.62Å; E66-H72 PolarHBondContact OE1-CE1 2.87Å; E66-H72 VanDerWaalsContact OE1-CE1 3.26Å; E66-H72 IonicContact OE1-NE2 3.67Å; E66-H72 PolarHBondContact OE1-NE2 3.14Å; E66-T199 VanDerWaalsContact O-CB 3.25Å; E66-T199 WeakPolarHBondContact O-CB 3.33Å; E66-E200 PolarHBondContact O-N 3.24Å
67	K	97.8	Very high	96.6	Very high	153 Å²	153	41 Å²	41	67%	0.665	22%	0.223	S	C	*	.	S	Bend	trans	-66.3	-25	173.7	-69.1	-177.9	176.7	-176.2	0	112.7	E200	K67-E200 HydrophobicContact CB-CG 4.41Å; K67-E200 VanDerWaalsContact CE-OE1 3.24Å; K67-E200 WeakPolarHBondContact CE-OE1 3.14Å; K67-E200 HydrophobicContact CG-CG 3.72Å
68	E	97.7	Very high	96.4	Very high	117 Å²	117	37.1 Å²	37.1	55%	0.547	19%	0.19	S	C	.	.	S	Bend	trans	-132.8	146.4	-176.3	-60.5	-176	167.5	0	0	110.4	E66 R180	E66-E68 WeakPolarHBondContact CB-O 3.5Å; E66-E68 PolarHBondContact O-N 3.04Å; E68-R180 IonicContact OE2-CZ 3.54Å; E68-R180 IonicContact OE2-NH2 2.75Å; E68-R180 PolarHBondContact OE2-NH2 3.23Å
69	L	98.6	Very high	96.4	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.11	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	155.5	172.6	-62.5	175.2	0	0	0	111.6	L45 L62 E64 A71 R180 L184 V197	L45-L69 HydrophobicContact CD1-CB 4.29Å; L45-L69 HydrophobicContact CD1-CD1 4.48Å; L45-L69 HydrophobicContact CD2-CD1 3.87Å; L45-L69 HydrophobicContact CD2-CD2 4.2Å; L62-L69 HydrophobicContact CD2-CD2 3.8Å; E64-L69 HydrophobicContact CB-CD2 3.98Å; E64-L69 HydrophobicContact CG-CD2 4.11Å; L69-A71 PolarHBondContact O-N 2.94Å; L69-R180 PolarHBondContact O-NH1 2.94Å; L69-L184 HydrophobicContact CB-CD2 3.81Å; L69-V197 HydrophobicContact CD1-CG1 4.33Å; L69-V197 HydrophobicContact CD2-CG1 3.96Å; L69-V197 HydrophobicContact CG-CG1 4.42Å
70	A	97.5	Very high	96.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	33.7	174	0	0	0	0	0	114.7	G40 G75 R180 A183	G40-A70 PolarHBondContact O-N 3.02Å; A70-G75 WeakPolarHBondContact O-CA 3.19Å; A70-G75 PolarHBondContact O-N 2.87Å; A70-R180 HydrophobicContact CB-CG 4.23Å; A70-R180 PolarHBondContact O-NH1 2.86Å; A70-A183 HydrophobicContact CB-CB 3.76Å
71	A	96.8	Very high	96.3	Very high	28 Å²	28	33.5 Å²	33.5	23%	0.231	17%	0.171	C	C	.	.			trans	-77	-16.7	-177.9	0	0	0	0	0	114.5	E66 L69 H76	E66-A71 HydrophobicContact CB-CB 4.13Å; E66-A71 HydrophobicContact CG-CB 4.01Å; L69-A71 PolarHBondContact O-N 2.94Å; A71-H76 PolarHBondContact O-CD2 3.49Å; A71-H76 VanDerWaalsContact O-CD2 3.27Å; A71-H76 PolarHBondContact O-NE2 2.78Å
72	H	95.6	Very high	96.2	Very high	36 Å²	36	34.9 Å²	34.9	17%	0.167	18%	0.177	C	C	.	.	S	Bend	trans	-105.8	-128.6	-176.9	-59.7	-48.8	0	0	0	112.2	K65 E66 S74 G75 H76 E320 Y322	K65-H72 WeakPolarHBondContact CE-NE2 3.32Å; E66-H72 VanDerWaalsContact CG-NE2 3.28Å; E66-H72 WeakPolarHBondContact CG-NE2 3.47Å; E66-H72 IonicContact OE1-CE1 3.62Å; E66-H72 PolarHBondContact OE1-CE1 2.87Å; E66-H72 VanDerWaalsContact OE1-CE1 3.26Å; E66-H72 IonicContact OE1-NE2 3.67Å; E66-H72 PolarHBondContact OE1-NE2 3.14Å; H72-S74 PolarHBondContact O-N 3.09Å; H72-G75 CarbonylContact O-C 3.15Å; H72-G75 WeakPolarHBondContact O-CA 3.27Å; H72-G75 PolarHBondContact O-N 3.35Å; H72-H76 PolarHBondContact O-CD2 2.92Å; H72-H76 VanDerWaalsContact O-CD2 3.26Å; H72-H76 PolarHBondContact O-N 3.34Å; H72-E320 IonicContact CD2-OE1 2.95Å; H72-E320 IonicContact CE1-OE1 2.66Å; H72-E320 PolarHBondContact CE1-OE1 3.36Å; H72-E320 IonicContact CE1-OE2 3.47Å; H72-E320 IonicContact ND1-OE1 2.6Å; H72-E320 IonicContact NE2-OE1 2.87Å; H72-E320 PolarHBondContact NE2-OE1 3.41Å; H72-E320 VanDerWaalsContact NE2-OE1 3.08Å; H72-Y322 VanDerWaalsContact CA-OH 3.27Å; H72-Y322 WeakPolarHBondContact CA-OH 3.33Å; H72-Y322 VanDerWaalsContact CB-OH 3.23Å; H72-Y322 WeakPolarHBondContact CB-OH 3.49Å; H72-Y322 AromaticContact ND1-CE2 3.94Å; H72-Y322 PolarHBondContact ND1-OH 2.86Å
73	Q	94.5	Very high	95.9	Very high	62 Å²	62	35.1 Å²	35.1	29%	0.29	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-36.8	-175.3	-65.3	169.3	-88.2	0	0	114.5	H76 N77 L245 V388	Q73-H76 CarbonylContact O-C 3.39Å; Q73-H76 PolarHBondContact O-N 3.01Å; Q73-N77 PolarHBondContact O-ND2 3.48Å; Q73-L245 HydrophobicContact CG-CD1 4.2Å; Q73-L245 HydrophobicContact CG-CG 4.32Å; Q73-V388 VanDerWaalsContact CG-O 3.29Å; Q73-V388 WeakPolarHBondContact CG-O 3.4Å
74	S	95.7	Very high	95.7	Very high	12 Å²	12	35.1 Å²	35.1	8%	0.084	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-25.6	178.9	-54.6	0	0	0	0	114.2	I42 H72 N77 R180	I42-S74 WeakPolarHBondContact CB-OG 3.19Å; I42-S74 WeakPolarHBondContact CG2-OG 3.37Å; I42-S74 PolarHBondContact N-OG 3.29Å; H72-S74 PolarHBondContact O-N 3.09Å; S74-N77 PolarHBondContact O-ND2 3.25Å; S74-R180 PolarHBondContact O-N 3.19Å
75	G	94.2	Very high	95.4	Very high	26 Å²	26	34.5 Å²	34.5	27%	0.268	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-23.6	169.4	0	0	0	0	0	113.7	A70 H72	A70-G75 WeakPolarHBondContact O-CA 3.19Å; A70-G75 PolarHBondContact O-N 2.87Å; H72-G75 CarbonylContact O-C 3.15Å; H72-G75 WeakPolarHBondContact O-CA 3.27Å; H72-G75 PolarHBondContact O-N 3.35Å
76	H	93.4	Very high	95	Very high	67 Å²	67	34.1 Å²	34.1	31%	0.31	17%	0.173	S	C	.	.	S	Bend	trans	-109.2	67.9	-174.1	-70.7	-101.3	0	0	0	112.4	A71 H72 Q73 Y322 T386	A71-H76 PolarHBondContact O-CD2 3.49Å; A71-H76 VanDerWaalsContact O-CD2 3.27Å; A71-H76 PolarHBondContact O-NE2 2.78Å; H72-H76 PolarHBondContact O-CD2 2.92Å; H72-H76 VanDerWaalsContact O-CD2 3.26Å; H72-H76 PolarHBondContact O-N 3.34Å; Q73-H76 CarbonylContact O-C 3.39Å; Q73-H76 PolarHBondContact O-N 3.01Å; H76-Y322 HydrophobicContact CB-CE1 3.96Å; H76-Y322 AromaticContact CE1-CD1 3.94Å; H76-Y322 AromaticContact CG-CE1 3.66Å; H76-Y322 AromaticContact ND1-CD1 3.65Å; H76-Y322 AromaticContact ND1-CE1 3.77Å; H76-T386 PolarHBondContact ND1-O 2.97Å
77	N	91.9	Very high	94.6	Very high	29 Å²	29	32.7 Å²	32.7	16%	0.155	17%	0.166	C	C	.	.	S	Bend	trans	-144.8	175.1	179.2	61.5	72.3	0	0	0	112.3	Q73 S74 G79 W179 R302 W308	Q73-N77 PolarHBondContact O-ND2 3.48Å; S74-N77 PolarHBondContact O-ND2 3.25Å; N77-G79 VanDerWaalsContact C-N 3.28Å; N77-G79 PolarHBondContact O-N 2.63Å; N77-G79 PolarHBondContact OD1-N 3.41Å; N77-W179 VanDerWaalsContact OD1-CD1 3.24Å; N77-R302 PolarHBondContact O-NH1 2.84Å; N77-W308 WeakPolarHBondContact O-CZ3 3.45Å
78	S	90.1	Very high	94.3	Very high	16 Å²	16	29.7 Å²	29.7	11%	0.112	16%	0.16	C	C	.	.			trans	-74.3	-12.6	-175.6	57	0	0	0	0	114.2	V80 T300 R302	S78-V80 VanDerWaalsContact C-N 3.28Å; S78-V80 PolarHBondContact O-N 2.79Å; S78-T300 VanDerWaalsContact O-CG2 3.26Å; S78-T300 WeakPolarHBondContact O-CG2 3.33Å; S78-R302 PolarHBondContact O-NH1 3.15Å
79	G	94.8	Very high	94.1	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	15%	0.15	C	C	.	.			trans	80.2	1.9	-177.2	0	0	0	0	0	114.7	N77 I176 V177	N77-G79 VanDerWaalsContact C-N 3.28Å; N77-G79 PolarHBondContact O-N 2.63Å; N77-G79 PolarHBondContact OD1-N 3.41Å; G79-I176 CarbonylContact O-C 3.59Å; G79-I176 VanDerWaalsContact O-CA 3.23Å; G79-I176 WeakPolarHBondContact O-CA 3.26Å; G79-V177 CarbonylContact C-O 3.52Å; G79-V177 WeakPolarHBondContact CA-O 3.41Å; G79-V177 PolarHBondContact O-N 2.97Å; G79-V177 VanDerWaalsContact O-O 3.1Å
80	V	96.2	Very high	93.7	Very high	3 Å²	3	28 Å²	28	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135	-171.9	179.4	0	0	0	0	112.1	S78 T174 G175 I176 W179 T300 T428	S78-V80 VanDerWaalsContact C-N 3.28Å; S78-V80 PolarHBondContact O-N 2.79Å; V80-T174 HydrophobicContact CG1-CG2 3.9Å; V80-G175 WeakPolarHBondContact CA-O 3.44Å; V80-I176 HydrophobicContact CG2-CG2 4.48Å; V80-W179 PolarHBondContact O-NE1 2.88Å; V80-T300 HydrophobicContact CG2-CG2 3.7Å; V80-T428 PolarHBondContact O-OG1 2.96Å
81	I	97.6	Very high	93.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	99.8	163.2	-55.4	172.9	0	0	0	107	A101 Y105 T174 G175 V177 W179 T428	I81-A101 HydrophobicContact CG2-CB 4.05Å; I81-Y105 HydrophobicContact CD1-CD1 4.05Å; I81-Y105 HydrophobicContact CD1-CE1 3.41Å; I81-Y105 VanDerWaalsContact CD1-CE1 3.41Å; I81-Y105 HydrophobicContact CG2-CE2 3.89Å; I81-T174 WeakPolarHBondContact O-CG2 3.46Å; I81-G175 PolarHBondContact N-O 2.83Å; I81-G175 PolarHBondContact O-N 3.3Å; I81-V177 HydrophobicContact CD1-CB 4.03Å; I81-V177 HydrophobicContact CD1-CG1 3.92Å; I81-V177 HydrophobicContact CG1-CB 4.3Å; I81-V177 HydrophobicContact CG1-CG1 3.72Å; I81-W179 HydrophobicContact CB-CZ2 4.32Å; I81-W179 HydrophobicContact CG1-CH2 4.11Å; I81-W179 HydrophobicContact CG1-CZ2 3.64Å; I81-T428 HydrophobicContact CG2-CG2 4.04Å
82	H	95.5	Very high	92.9	Very high	29 Å²	29	30.3 Å²	30.3	13%	0.134	18%	0.181	C	C	.	.			trans	-75.2	140.1	-174	-70.6	-83.6	0	0	0	112.6	C97 A101 P425 T428	H82-C97 PolarHBondContact O-SG 3.3Å; H82-A101 WeakPolarHBondContact O-CB 3.38Å; H82-P425 HydrophobicContact CB-CB 4.02Å; H82-P425 HydrophobicContact CB-CG 4.26Å; H82-T428 HydrophobicContact CB-CG2 4.42Å; H82-T428 PolarHBondContact N-OG1 2.85Å; H82-T428 WeakPolarHBondContact O-CG2 3.36Å
83	S	93.8	Very high	92.6	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	18%	0.178	C	C	.	.			trans	-87.4	-10.3	-177.7	57.1	0	0	0	0	115.6	I85 V145 S171 T174	S83-I85 WeakPolarHBondContact OG-CD1 3.23Å; S83-I85 WeakPolarHBondContact OG-CG1 3.48Å; S83-V145 WeakPolarHBondContact O-CG2 3.35Å; S83-S171 WeakPolarHBondContact CB-OG 3.19Å; S83-S171 PolarHBondContact OG-OG 3.13Å; S83-T174 PolarHBondContact OG-OG1 3.06Å
84	G	93.1	Very high	92.4	Very high	1 Å²	1	27 Å²	27	1%	0.01	17%	0.166	C	C	.	.	S	Bend	trans	99.9	10.7	176.5	0	0	0	0	0	117.1	C97 N143	G84-C97 VanDerWaalsContact CA-SG 3.57Å; G84-C97 PolarHBondContact N-SG 2.89Å; G84-C97 VanDerWaalsContact N-SG 3.42Å; G84-N143 PolarHBondContact O-ND2 3.08Å
85	I	93.4	Very high	92.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.189	C	C	.	.			trans	-65.7	-44.8	-170.5	-59	166.8	0	0	0	113.7	S83 Y87 I122 L136 R139 V145 L148 L169	S83-I85 WeakPolarHBondContact OG-CD1 3.23Å; S83-I85 WeakPolarHBondContact OG-CG1 3.48Å; I85-Y87 PolarHBondContact O-N 3.5Å; I85-I122 HydrophobicContact CD1-CD1 3.79Å; I85-I122 HydrophobicContact CG2-CD1 4.15Å; I85-L136 HydrophobicContact CG2-CB 4.37Å; I85-R139 VanDerWaalsContact O-CD 3.27Å; I85-R139 WeakPolarHBondContact O-CD 3.21Å; I85-R139 WeakPolarHBondContact O-CG 3.07Å; I85-V145 HydrophobicContact CG1-CG1 4.07Å; I85-V145 HydrophobicContact CG1-CG2 4.17Å; I85-L148 HydrophobicContact CD1-CD1 3.79Å; I85-L148 HydrophobicContact CG1-CD1 4.09Å; I85-L169 HydrophobicContact CG2-CD2 3.84Å
86	Y	88.9	Confident	92.3	Very high	48 Å²	48	33.1 Å²	33.1	19%	0.188	18%	0.18	C	C	.	.	S	Bend	trans	-79	-18.2	-164.3	-65.8	-73.9	0	0	0	114.4	I122 L136 R139 P288	Y86-I122 HydrophobicContact CE1-CD1 4Å; Y86-I122 HydrophobicContact CE2-CD1 4.09Å; Y86-I122 WeakPolarHBondContact OH-CD1 3.43Å; Y86-I122 WeakPolarHBondContact OH-CG1 3.25Å; Y86-L136 HydrophobicContact CD1-CD1 4.23Å; Y86-L136 HydrophobicContact CD1-CD2 3.92Å; Y86-L136 HydrophobicContact CE1-CD1 3.88Å; Y86-L136 HydrophobicContact CE1-CD2 4.41Å; Y86-R139 WeakPolarHBondContact O-CD 3.47Å; Y86-R139 PolarHBondContact O-NH1 3.11Å; Y86-P288 HydrophobicContact CD1-CG 3.6Å; Y86-P288 HydrophobicContact CE1-CG 3.2Å
87	Y	89.3	Confident	92.4	Very high	30 Å²	30	29.9 Å²	29.9	12%	0.118	17%	0.165	C	C	.	.	S	Bend	trans	-82.4	144.8	-166.6	-48.2	-61.1	0	0	0	112.2	I85 K93 C97 R139 N143 P425	I85-Y87 PolarHBondContact O-N 3.5Å; Y87-K93 HydrophobicContact CD1-CB 3.86Å; Y87-K93 HydrophobicContact CD1-CD 3.95Å; Y87-K93 HydrophobicContact CE1-CD 4.36Å; Y87-K93 HydrophobicContact CG-CB 3.86Å; Y87-C97 HydrophobicContact CD2-CB 3.99Å; Y87-C97 HydrophobicContact CE2-CB 3.69Å; Y87-R139 WeakPolarHBondContact O-CD 3.43Å; Y87-R139 WeakPolarHBondContact O-CG 3.41Å; Y87-N143 PolarHBondContact O-ND2 3.5Å; Y87-P425 HydrophobicContact CE2-CG 3.92Å; Y87-P425 VanDerWaalsContact CZ-CD 3.5Å; Y87-P425 VanDerWaalsContact OH-CD 3.29Å; Y87-P425 WeakPolarHBondContact OH-CD 3.07Å; Y87-P425 WeakPolarHBondContact OH-CG 3.41Å
88	T	90.8	Very high	92.5	Very high	89 Å²	89	29.9 Å²	29.9	55%	0.546	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-55	127.9	177.4	-57.2	0	0	0	0	110.4	S91 A94	T88-S91 WeakPolarHBondContact O-CB 3.3Å; T88-S91 PolarHBondContact O-N 2.68Å; T88-S91 VanDerWaalsContact O-N 3.15Å; T88-S91 PolarHBondContact O-OG 3.47Å; T88-A94 WeakPolarHBondContact O-CB 3.5Å
89	P	93.8	Very high	92.8	Very high	52 Å²	52	34.8 Å²	34.8	34%	0.338	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	141.3	180	-26.9	36.3	0	0	0	113.2	S91 R139 K142 N143	P89-S91 PolarHBondContact O-N 3.29Å; P89-R139 HydrophobicContact CG-CG 3.99Å; P89-K142 HydrophobicContact CB-CB 3.98Å; P89-K142 HydrophobicContact CG-CB 3.91Å; P89-K142 HydrophobicContact CG-CD 4.19Å; P89-N143 WeakPolarHBondContact CA-OD1 3.4Å
90	G	89.9	Confident	92.9	Very high	52 Å²	52	34.6 Å²	34.6	54%	0.536	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-18.5	-176	0	0	0	0	0	115.3	R95	G90-R95 PolarHBondContact O-NH1 2.86Å
91	S	90.5	Very high	92.9	Very high	37 Å²	37	34.6 Å²	34.6	26%	0.259	18%	0.18	S	C	.	.	S	Bend	trans	-63.4	156	178.3	69.9	0	0	0	0	113.1	T88 P89 K93 A94 R95	T88-S91 WeakPolarHBondContact O-CB 3.3Å; T88-S91 PolarHBondContact O-N 2.68Å; T88-S91 VanDerWaalsContact O-N 3.15Å; T88-S91 PolarHBondContact O-OG 3.47Å; P89-S91 PolarHBondContact O-N 3.29Å; S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.83Å; S91-A94 PolarHBondContact O-N 3.04Å; S91-A94 PolarHBondContact OG-N 2.97Å; S91-R95 WeakPolarHBondContact O-CG 3.5Å; S91-R95 PolarHBondContact O-N 3.31Å; S91-R95 VanDerWaalsContact O-N 3.11Å
92	L	88.6	Confident	92.9	Very high	39 Å²	39	35.8 Å²	35.8	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-43.9	174.4	-72	-177.1	0	0	0	111.9	A94 R95 L96 D402 F403 M436	L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.49Å; L92-R95 PolarHBondContact O-N 3.14Å; L92-L96 HydrophobicContact CB-CD1 4.48Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.45Å; L92-L96 VanDerWaalsContact O-CG 3.25Å; L92-L96 WeakPolarHBondContact O-CG 3.12Å; L92-L96 PolarHBondContact O-N 2.96Å; L92-D402 WeakPolarHBondContact CD1-OD1 2.98Å; L92-F403 HydrophobicContact CB-CD2 4.48Å; L92-F403 HydrophobicContact CD1-CD2 4.28Å; L92-M436 HydrophobicContact CD1-CE 4.01Å; L92-M436 HydrophobicContact CD2-CE 3.74Å; L92-M436 HydrophobicContact CG-CE 4.39Å
93	K	88.2	Confident	93	Very high	26 Å²	26	36 Å²	36	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-45.8	175.7	-65.7	-170.7	-165.7	-172.5	0	112.8	Y87 S91 C97 D401 P423	Y87-K93 HydrophobicContact CD1-CB 3.86Å; Y87-K93 HydrophobicContact CD1-CD 3.95Å; Y87-K93 HydrophobicContact CE1-CD 4.36Å; Y87-K93 HydrophobicContact CG-CB 3.86Å; S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.83Å; K93-C97 WeakPolarHBondContact O-CB 3.25Å; K93-C97 PolarHBondContact O-N 3.37Å; K93-D401 WeakPolarHBondContact CE-O 3.37Å; K93-D401 PolarHBondContact NZ-O 2.77Å; K93-D401 IonicContact NZ-OD1 2.68Å; K93-D401 PolarHBondContact NZ-OD1 3.43Å; K93-P423 HydrophobicContact CD-CB 4.33Å; K93-P423 HydrophobicContact CD-CG 4.31Å; K93-P423 VanDerWaalsContact CE-CB 3.44Å; K93-P423 HydrophobicContact CG-CG 4.12Å
94	A	91.7	Very high	93.3	Very high	3 Å²	3	36 Å²	36	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-50.7	-179.5	0	0	0	0	0	110.9	T88 S91 L92 V98	T88-A94 WeakPolarHBondContact O-CB 3.5Å; S91-A94 PolarHBondContact O-N 3.04Å; S91-A94 PolarHBondContact OG-N 2.97Å; L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.49Å; A94-V98 WeakPolarHBondContact O-CG2 3.32Å; A94-V98 PolarHBondContact O-N 3.25Å
95	R	92.3	Very high	93.5	Very high	152 Å²	152	36.1 Å²	36.1	57%	0.574	19%	0.19	S	C	*	.	H	α-helix	trans	-63.5	-49.3	-178.6	-61.9	-163.6	-54.3	-124.4	20	111.9	G90 S91 L92 R99	G90-R95 PolarHBondContact O-NH1 2.86Å; S91-R95 WeakPolarHBondContact O-CG 3.5Å; S91-R95 PolarHBondContact O-N 3.31Å; S91-R95 VanDerWaalsContact O-N 3.11Å; L92-R95 PolarHBondContact O-N 3.14Å; R95-R99 WeakPolarHBondContact O-CB 3.24Å; R95-R99 PolarHBondContact O-N 3.41Å; R95-R99 VanDerWaalsContact O-N 3.14Å
96	L	94.2	Very high	93.8	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-34.2	-177.8	-64.9	177.8	0	0	0	112.4	L92 G100 F403 A432 I433 M436	L92-L96 HydrophobicContact CB-CD1 4.48Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.45Å; L92-L96 VanDerWaalsContact O-CG 3.25Å; L92-L96 WeakPolarHBondContact O-CG 3.12Å; L92-L96 PolarHBondContact O-N 2.96Å; L96-G100 VanDerWaalsContact O-CA 3.22Å; L96-G100 WeakPolarHBondContact O-CA 3.47Å; L96-G100 PolarHBondContact O-N 2.7Å; L96-F403 HydrophobicContact CD1-CD2 4.41Å; L96-F403 HydrophobicContact CD1-CE2 3.49Å; L96-F403 VanDerWaalsContact CD1-CE2 3.49Å; L96-F403 HydrophobicContact CD1-CZ 3.87Å; L96-A432 HydrophobicContact CB-CB 4.46Å; L96-A432 HydrophobicContact CD2-CB 3.8Å; L96-I433 HydrophobicContact CD1-CG1 4.02Å; L96-M436 HydrophobicContact CD1-CE 3.79Å; L96-M436 HydrophobicContact CD1-SD 4.29Å; L96-M436 HydrophobicContact CD2-CE 4.11Å; L96-M436 HydrophobicContact CG-CE 4.32Å
97	C	94.9	Very high	94.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-46.9	177.2	-178	0	0	0	0	112.1	H82 G84 Y87 K93 G100 A101 P425 S429	H82-C97 PolarHBondContact O-SG 3.3Å; G84-C97 VanDerWaalsContact CA-SG 3.57Å; G84-C97 PolarHBondContact N-SG 2.89Å; G84-C97 VanDerWaalsContact N-SG 3.42Å; Y87-C97 HydrophobicContact CD2-CB 3.99Å; Y87-C97 HydrophobicContact CE2-CB 3.69Å; K93-C97 WeakPolarHBondContact O-CB 3.25Å; K93-C97 PolarHBondContact O-N 3.37Å; C97-G100 PolarHBondContact O-N 3.17Å; C97-A101 WeakPolarHBondContact O-CB 3.1Å; C97-A101 PolarHBondContact O-N 3.39Å; C97-P425 HydrophobicContact CB-CG 3.67Å; C97-P425 WeakPolarHBondContact SG-CG 3.45Å; C97-S429 WeakPolarHBondContact CA-OG 3.21Å
98	V	95.3	Very high	94.7	Very high	29 Å²	29	38.1 Å²	38.1	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-44.5	-177.4	173.5	0	0	0	0	110.6	A94 T102 N143 V145	A94-V98 WeakPolarHBondContact O-CG2 3.32Å; A94-V98 PolarHBondContact O-N 3.25Å; V98-T102 PolarHBondContact O-N 3.25Å; V98-T102 PolarHBondContact O-OG1 3.09Å; V98-N143 WeakPolarHBondContact CG2-O 3.36Å; V98-V145 HydrophobicContact CG2-CG2 4.5Å
99	R	95.9	Very high	95.1	Very high	118 Å²	118	39 Å²	39	45%	0.445	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-46.2	174.6	-176.1	168.5	176.9	-117.7	-11.4	111.5	R95 A101 T102 L103 E435	R95-R99 WeakPolarHBondContact O-CB 3.24Å; R95-R99 PolarHBondContact O-N 3.41Å; R95-R99 VanDerWaalsContact O-N 3.14Å; R99-A101 PolarHBondContact O-N 3.11Å; R99-T102 WeakPolarHBondContact O-CB 3.41Å; R99-T102 PolarHBondContact O-N 2.85Å; R99-T102 VanDerWaalsContact O-N 3.08Å; R99-L103 HydrophobicContact CG-CD1 4.15Å; R99-L103 HydrophobicContact CG-CG 4.42Å; R99-L103 WeakPolarHBondContact O-CG 3.5Å; R99-L103 PolarHBondContact O-N 2.68Å; R99-E435 IonicContact CZ-OE1 3.93Å; R99-E435 IonicContact CZ-OE2 2.64Å; R99-E435 IonicContact NH1-OE2 3.01Å; R99-E435 PolarHBondContact NH1-OE2 3.01Å; R99-E435 IonicContact NH2-OE1 3Å; R99-E435 PolarHBondContact NH2-OE1 3.05Å; R99-E435 IonicContact NH2-OE2 3.92Å; R99-E435 PolarHBondContact NH2-OE2 3.36Å
100	G	96.8	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-42.1	179.2	0	0	0	0	0	113.4	L96 C97 T102 L103 A104 T428	L96-G100 VanDerWaalsContact O-CA 3.22Å; L96-G100 WeakPolarHBondContact O-CA 3.47Å; L96-G100 PolarHBondContact O-N 2.7Å; C97-G100 PolarHBondContact O-N 3.17Å; G100-T102 VanDerWaalsContact C-N 3.29Å; G100-T102 PolarHBondContact O-N 3.33Å; G100-L103 PolarHBondContact O-N 3.36Å; G100-A104 VanDerWaalsContact O-CB 3.26Å; G100-A104 WeakPolarHBondContact O-CB 3.48Å; G100-A104 PolarHBondContact O-N 3.18Å; G100-T428 CarbonylContact C-O 3.52Å; G100-T428 WeakPolarHBondContact CA-O 3.44Å
101	A	97.2	Very high	95.7	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-42.3	174.2	0	0	0	0	0	112	I81 H82 C97 R99 A104 Y105 Y173 T428	I81-A101 HydrophobicContact CG2-CB 4.05Å; H82-A101 WeakPolarHBondContact O-CB 3.38Å; C97-A101 WeakPolarHBondContact O-CB 3.1Å; C97-A101 PolarHBondContact O-N 3.39Å; R99-A101 PolarHBondContact O-N 3.11Å; A101-A104 PolarHBondContact O-N 3.02Å; A101-Y105 WeakPolarHBondContact O-CD2 3.5Å; A101-Y105 PolarHBondContact O-N 3.28Å; A101-Y105 VanDerWaalsContact O-N 3.13Å; A101-Y173 HydrophobicContact CB-CE1 4.26Å; A101-T428 HydrophobicContact CB-CG2 3.97Å
102	T	97.3	Very high	96.1	Very high	25 Å²	25	45.9 Å²	45.9	15%	0.153	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-49.1	176.3	-58.2	0	0	0	0	111	V98 R99 G100 A104 Y105 Q106 R146	V98-T102 PolarHBondContact O-N 3.25Å; V98-T102 PolarHBondContact O-OG1 3.09Å; R99-T102 WeakPolarHBondContact O-CB 3.41Å; R99-T102 PolarHBondContact O-N 2.85Å; R99-T102 VanDerWaalsContact O-N 3.08Å; G100-T102 VanDerWaalsContact C-N 3.29Å; G100-T102 PolarHBondContact O-N 3.33Å; T102-A104 VanDerWaalsContact C-N 3.32Å; T102-A104 PolarHBondContact O-N 3.42Å; T102-Y105 PolarHBondContact O-N 3.16Å; T102-Q106 WeakPolarHBondContact O-CG 3.36Å; T102-Q106 PolarHBondContact O-N 2.88Å; T102-R146 PolarHBondContact OG1-NH2 3.29Å
103	L	98.3	Very high	96.5	Very high	35 Å²	35	44.6 Å²	44.6	18%	0.183	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-39.9	178.8	-66.6	175.5	0	0	0	111.8	R99 G100 Q106 Y107 L431 A432	R99-L103 HydrophobicContact CG-CD1 4.15Å; R99-L103 HydrophobicContact CG-CG 4.42Å; R99-L103 WeakPolarHBondContact O-CG 3.5Å; R99-L103 PolarHBondContact O-N 2.68Å; G100-L103 PolarHBondContact O-N 3.36Å; L103-Q106 PolarHBondContact O-N 3.3Å; L103-Y107 VanDerWaalsContact O-CB 3.23Å; L103-Y107 WeakPolarHBondContact O-CB 3.45Å; L103-Y107 PolarHBondContact O-N 2.84Å; L103-L431 HydrophobicContact CB-CB 4.09Å; L103-L431 HydrophobicContact CB-CD1 3.91Å; L103-L431 HydrophobicContact CD1-CB 3.98Å; L103-A432 HydrophobicContact CD1-CB 4.07Å
104	A	98.4	Very high	97	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-45.8	178.5	0	0	0	0	0	111.6	G100 A101 T102 Y107 C108 W179	G100-A104 VanDerWaalsContact O-CB 3.26Å; G100-A104 WeakPolarHBondContact O-CB 3.48Å; G100-A104 PolarHBondContact O-N 3.18Å; A101-A104 PolarHBondContact O-N 3.02Å; T102-A104 VanDerWaalsContact C-N 3.32Å; T102-A104 PolarHBondContact O-N 3.42Å; A104-Y107 PolarHBondContact O-N 3.37Å; A104-C108 WeakPolarHBondContact O-CB 3.49Å; A104-C108 PolarHBondContact O-N 3.09Å; A104-C108 PolarHBondContact O-SG 2.69Å; A104-W179 HydrophobicContact CB-CH2 3.85Å; A104-W179 HydrophobicContact CB-CZ3 4.38Å
105	Y	98.6	Very high	97.3	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-48.1	175.5	-75.3	-56.3	0	0	0	111.9	I81 A101 T102 Y107 C108 E109 Y115 R117 Y173 G175	I81-Y105 HydrophobicContact CD1-CD1 4.05Å; I81-Y105 HydrophobicContact CD1-CE1 3.41Å; I81-Y105 VanDerWaalsContact CD1-CE1 3.41Å; I81-Y105 HydrophobicContact CG2-CE2 3.89Å; A101-Y105 WeakPolarHBondContact O-CD2 3.5Å; A101-Y105 PolarHBondContact O-N 3.28Å; A101-Y105 VanDerWaalsContact O-N 3.13Å; T102-Y105 PolarHBondContact O-N 3.16Å; Y105-Y107 VanDerWaalsContact C-N 3.28Å; Y105-Y107 PolarHBondContact O-N 2.91Å; Y105-C108 PolarHBondContact O-N 2.83Å; Y105-E109 WeakPolarHBondContact O-CG 3.34Å; Y105-E109 PolarHBondContact O-N 2.93Å; Y105-Y115 HydrophobicContact CD1-CD1 4.44Å; Y105-Y115 AromaticContact CD1-CD2 3.55Å; Y105-Y115 HydrophobicContact CD1-CD2 3.55Å; Y105-Y115 HydrophobicContact CD1-CE1 4.3Å; Y105-Y115 AromaticContact CD1-CE2 3.42Å; Y105-Y115 HydrophobicContact CD1-CE2 3.42Å; Y105-Y115 VanDerWaalsContact CD1-CE2 3.42Å; Y105-Y115 HydrophobicContact CD1-CG 4.07Å; Y105-Y115 AromaticContact CD1-CZ 3.79Å; Y105-Y115 AromaticContact CE1-CD2 3.42Å; Y105-Y115 HydrophobicContact CE1-CD2 3.42Å; Y105-Y115 VanDerWaalsContact CE1-CD2 3.42Å; Y105-Y115 AromaticContact CE1-CE2 3.57Å; Y105-Y115 HydrophobicContact CE1-CE2 3.57Å; Y105-Y115 HydrophobicContact CE1-CG 4.18Å; Y105-R117 HydrophobicContact CD1-CG 4.47Å; Y105-R117 HydrophobicContact CE1-CG 3.62Å; Y105-R117 HydrophobicContact CE2-CG 4.35Å; Y105-R117 WeakPolarHBondContact OH-CG 3.24Å; Y105-Y173 AromaticContact CD2-CE1 3.82Å; Y105-Y173 HydrophobicContact CD2-CE1 3.82Å; Y105-Y173 HydrophobicContact CD2-CE2 4.35Å; Y105-Y173 AromaticContact CD2-CZ 3.61Å; Y105-Y173 WeakPolarHBondContact CD2-OH 3.4Å; Y105-Y173 HydrophobicContact CE2-CD1 4.13Å; Y105-Y173 AromaticContact CE2-CE1 3.68Å; Y105-Y173 HydrophobicContact CE2-CE1 3.68Å; Y105-Y173 HydrophobicContact CE2-CE2 4.34Å; Y105-Y173 AromaticContact CE2-CZ 3.78Å; Y105-Y173 PolarHBondContact OH-O 2.95Å; Y105-G175 WeakPolarHBondContact OH-CA 3.29Å; Y105-G175 PolarHBondContact OH-N 2.78Å
106	Q	98.6	Very high	97.6	Very high	107 Å²	107	47.6 Å²	47.6	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-58.8	-41.5	177.7	-72.1	173.6	-19.9	0	0	112	T102 L103 E109 K110	T102-Q106 WeakPolarHBondContact O-CG 3.36Å; T102-Q106 PolarHBondContact O-N 2.88Å; L103-Q106 PolarHBondContact O-N 3.3Å; Q106-E109 PolarHBondContact O-N 3.26Å; Q106-K110 VanDerWaalsContact O-CB 3.26Å; Q106-K110 WeakPolarHBondContact O-CB 3.25Å; Q106-K110 PolarHBondContact O-N 2.82Å
107	Y	98.8	Very high	97.7	Very high	12 Å²	12	53.3 Å²	53.3	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-44.6	177	-177.5	-96.5	0	0	0	111.7	L103 A104 Y105 E109 K110 K111 I113 V182 R185 Y186 D189 L431	L103-Y107 VanDerWaalsContact O-CB 3.23Å; L103-Y107 WeakPolarHBondContact O-CB 3.45Å; L103-Y107 PolarHBondContact O-N 2.84Å; A104-Y107 PolarHBondContact O-N 3.37Å; Y105-Y107 VanDerWaalsContact C-N 3.28Å; Y105-Y107 PolarHBondContact O-N 2.91Å; Y107-E109 VanDerWaalsContact C-N 3.35Å; Y107-E109 PolarHBondContact O-N 3.02Å; Y107-K110 PolarHBondContact O-N 3.11Å; Y107-K111 HydrophobicContact CD1-CG 4.4Å; Y107-K111 HydrophobicContact CD2-CG 4.14Å; Y107-K111 HydrophobicContact CE1-CB 4.46Å; Y107-K111 HydrophobicContact CE1-CG 4.02Å; Y107-K111 HydrophobicContact CE2-CD 4.44Å; Y107-K111 HydrophobicContact CE2-CG 3.72Å; Y107-K111 HydrophobicContact CG-CG 4.46Å; Y107-K111 WeakPolarHBondContact O-CB 3.45Å; Y107-K111 WeakPolarHBondContact O-CG 3.2Å; Y107-K111 PolarHBondContact O-N 2.91Å; Y107-I113 HydrophobicContact CD1-CD1 4.08Å; Y107-I113 HydrophobicContact CE1-CD1 3.68Å; Y107-V182 HydrophobicContact CD1-CG1 4.38Å; Y107-V182 HydrophobicContact CE1-CG1 4.26Å; Y107-R185 HydrophobicContact CE1-CB 4.43Å; Y107-R185 HydrophobicContact CE1-CG 4.29Å; Y107-R185 WeakPolarHBondContact OH-CG 3.47Å; Y107-Y186 AromaticContact CD1-CE1 3.74Å; Y107-Y186 HydrophobicContact CD1-CE1 3.74Å; Y107-Y186 HydrophobicContact CD2-CE1 4.16Å; Y107-Y186 AromaticContact CE1-CD1 3.76Å; Y107-Y186 HydrophobicContact CE1-CD1 3.76Å; Y107-Y186 AromaticContact CE1-CE1 3.31Å; Y107-Y186 HydrophobicContact CE1-CE1 3.31Å; Y107-Y186 HydrophobicContact CE2-CD1 4.02Å; Y107-Y186 AromaticContact CE2-CE1 3.79Å; Y107-Y186 HydrophobicContact CE2-CE1 3.79Å; Y107-Y186 HydrophobicContact CG-CE1 4.14Å; Y107-Y186 AromaticContact CZ-CD1 3.41Å; Y107-Y186 VanDerWaalsContact CZ-CD1 3.41Å; Y107-Y186 AromaticContact CZ-CE1 3.33Å; Y107-Y186 WeakPolarHBondContact OH-CD1 3.42Å; Y107-D189 PolarHBondContact OH-OD2 3.09Å; Y107-L431 HydrophobicContact CD2-CD1 4.34Å; Y107-L431 HydrophobicContact CG-CD1 4.1Å
108	C	98.7	Very high	97.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-42.6	177.6	-66.4	0	0	0	0	111.5	A104 Y105 K111 G112 I113 Y115	A104-C108 WeakPolarHBondContact O-CB 3.49Å; A104-C108 PolarHBondContact O-N 3.09Å; A104-C108 PolarHBondContact O-SG 2.69Å; Y105-C108 PolarHBondContact O-N 2.83Å; C108-K111 PolarHBondContact O-N 2.97Å; C108-G112 CarbonylContact O-C 3.48Å; C108-G112 WeakPolarHBondContact O-CA 3.33Å; C108-G112 PolarHBondContact O-N 3.36Å; C108-I113 HydrophobicContact CB-CB 4.02Å; C108-I113 PolarHBondContact O-N 3.02Å; C108-Y115 HydrophobicContact CB-CD1 3.56Å; C108-Y115 HydrophobicContact CB-CE1 4.13Å; C108-Y115 HydrophobicContact CB-CG 4.4Å
109	E	98.5	Very high	97.9	Very high	108 Å²	108	53.1 Å²	53.1	51%	0.505	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-51.3	174.1	-70.4	174.1	176.4	0	0	111.4	Y105 Q106 Y107 K111 G112 Y115 R117	Y105-E109 WeakPolarHBondContact O-CG 3.34Å; Y105-E109 PolarHBondContact O-N 2.93Å; Q106-E109 PolarHBondContact O-N 3.26Å; Y107-E109 VanDerWaalsContact C-N 3.35Å; Y107-E109 PolarHBondContact O-N 3.02Å; E109-K111 VanDerWaalsContact C-N 3.27Å; E109-K111 PolarHBondContact O-N 3.33Å; E109-G112 PolarHBondContact O-N 2.84Å; E109-Y115 HydrophobicContact CG-CE1 3.73Å; E109-Y115 PolarHBondContact OE1-OH 3.13Å; E109-R117 IonicContact OE1-NH2 3.15Å
110	K	98.4	Very high	98	Very high	169 Å²	169	47.7 Å²	47.7	74%	0.735	24%	0.24	S	C	*	.	H	α-helix	trans	-59.4	-36.2	-179.7	-179.1	176.5	179.8	177.3	0	112.9	Q106 Y107	Q106-K110 VanDerWaalsContact O-CB 3.26Å; Q106-K110 WeakPolarHBondContact O-CB 3.25Å; Q106-K110 PolarHBondContact O-N 2.82Å; Y107-K110 PolarHBondContact O-N 3.11Å
111	K	98.3	Very high	98	Very high	54 Å²	54	47.9 Å²	47.9	24%	0.235	24%	0.241	C	C	.	.	H	α-helix	trans	-99.8	1.1	-175.2	-63.1	-65	-172.4	157.8	0	113.7	Y107 C108 E109 I113 R185 D189	Y107-K111 HydrophobicContact CD1-CG 4.4Å; Y107-K111 HydrophobicContact CD2-CG 4.14Å; Y107-K111 HydrophobicContact CE1-CB 4.46Å; Y107-K111 HydrophobicContact CE1-CG 4.02Å; Y107-K111 HydrophobicContact CE2-CD 4.44Å; Y107-K111 HydrophobicContact CE2-CG 3.72Å; Y107-K111 HydrophobicContact CG-CG 4.46Å; Y107-K111 WeakPolarHBondContact O-CB 3.45Å; Y107-K111 WeakPolarHBondContact O-CG 3.2Å; Y107-K111 PolarHBondContact O-N 2.91Å; C108-K111 PolarHBondContact O-N 2.97Å; E109-K111 VanDerWaalsContact C-N 3.27Å; E109-K111 PolarHBondContact O-N 3.33Å; K111-I113 VanDerWaalsContact C-N 3.29Å; K111-I113 HydrophobicContact CB-CD1 4.18Å; K111-I113 HydrophobicContact CB-CG1 4.07Å; K111-I113 PolarHBondContact O-N 3.07Å; K111-R185 HydrophobicContact CB-CG 4.24Å; K111-R185 HydrophobicContact CD-CG 4.46Å; K111-R185 HydrophobicContact CG-CG 4.26Å; K111-D189 WeakPolarHBondContact CE-OD1 3.19Å; K111-D189 WeakPolarHBondContact CE-OD2 3.43Å; K111-D189 IonicContact NZ-OD1 3.42Å; K111-D189 PolarHBondContact NZ-OD1 3.21Å; K111-D189 IonicContact NZ-OD2 2.71Å; K111-D189 PolarHBondContact NZ-OD2 3.14Å
112	G	98.1	Very high	98	Very high	63 Å²	63	47.8 Å²	47.8	65%	0.649	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	30.2	-177.6	0	0	0	0	0	113.7	C108 E109 P114	C108-G112 CarbonylContact O-C 3.48Å; C108-G112 WeakPolarHBondContact O-CA 3.33Å; C108-G112 PolarHBondContact O-N 3.36Å; E109-G112 PolarHBondContact O-N 2.84Å; G112-P114 WeakPolarHBondContact O-CD 3.29Å
113	I	98.5	Very high	98	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.056	23%	0.233	C	C	.	.			trans	-81.9	123.4	177.2	-59.9	174.7	0	0	0	108.7	Y107 C108 K111 Y115 V177 M181 V182 R185	Y107-I113 HydrophobicContact CD1-CD1 4.08Å; Y107-I113 HydrophobicContact CE1-CD1 3.68Å; C108-I113 HydrophobicContact CB-CB 4.02Å; C108-I113 PolarHBondContact O-N 3.02Å; K111-I113 VanDerWaalsContact C-N 3.29Å; K111-I113 HydrophobicContact CB-CD1 4.18Å; K111-I113 HydrophobicContact CB-CG1 4.07Å; K111-I113 PolarHBondContact O-N 3.07Å; I113-Y115 PolarHBondContact O-N 3.15Å; I113-V177 HydrophobicContact CG2-CG2 3.96Å; I113-M181 HydrophobicContact CG2-CG 4.37Å; I113-M181 HydrophobicContact CG2-SD 3.99Å; I113-V182 HydrophobicContact CD1-CG2 4.1Å; I113-V182 HydrophobicContact CG2-CG2 4.09Å; I113-R185 HydrophobicContact CD1-CB 3.97Å; I113-R185 HydrophobicContact CD1-CG 4.18Å
114	P	98.3	Very high	97.9	Very high	81 Å²	81	45 Å²	45	53%	0.526	22%	0.224	S	C	.	.			trans	-62.4	132.2	177.5	-22.3	33.5	0	0	0	111.8	G112 M303	G112-P114 WeakPolarHBondContact O-CD 3.29Å; P114-M303 HydrophobicContact CB-CE 3.91Å
115	Y	98.4	Very high	97.7	Very high	55 Å²	55	45.9 Å²	45.9	22%	0.216	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.2	173.4	72.5	-96.6	0	0	0	109.9	Y105 C108 E109 I113 R117 I176	Y105-Y115 HydrophobicContact CD1-CD1 4.44Å; Y105-Y115 AromaticContact CD1-CD2 3.55Å; Y105-Y115 HydrophobicContact CD1-CD2 3.55Å; Y105-Y115 HydrophobicContact CD1-CE1 4.3Å; Y105-Y115 AromaticContact CD1-CE2 3.42Å; Y105-Y115 HydrophobicContact CD1-CE2 3.42Å; Y105-Y115 VanDerWaalsContact CD1-CE2 3.42Å; Y105-Y115 HydrophobicContact CD1-CG 4.07Å; Y105-Y115 AromaticContact CD1-CZ 3.79Å; Y105-Y115 AromaticContact CE1-CD2 3.42Å; Y105-Y115 HydrophobicContact CE1-CD2 3.42Å; Y105-Y115 VanDerWaalsContact CE1-CD2 3.42Å; Y105-Y115 AromaticContact CE1-CE2 3.57Å; Y105-Y115 HydrophobicContact CE1-CE2 3.57Å; Y105-Y115 HydrophobicContact CE1-CG 4.18Å; C108-Y115 HydrophobicContact CB-CD1 3.56Å; C108-Y115 HydrophobicContact CB-CE1 4.13Å; C108-Y115 HydrophobicContact CB-CG 4.4Å; E109-Y115 HydrophobicContact CG-CE1 3.73Å; E109-Y115 PolarHBondContact OE1-OH 3.13Å; I113-Y115 PolarHBondContact O-N 3.15Å; Y115-R117 HydrophobicContact CE2-CG 4.13Å; Y115-R117 PolarHBondContact OH-NH2 3.15Å; Y115-I176 WeakPolarHBondContact CA-O 3.35Å
116	K	97.8	Very high	97.5	Very high	109 Å²	109	49.4 Å²	49.4	47%	0.474	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.7	174.2	-170.7	-178.2	-179.7	-174.5	0	111.4	C118 G175 I176 M303	K116-C118 VanDerWaalsContact C-N 3.31Å; K116-C118 HydrophobicContact CD-CB 4.04Å; K116-C118 HydrophobicContact CG-CB 4.07Å; K116-C118 PolarHBondContact O-N 3.33Å; K116-C118 VanDerWaalsContact O-N 3.15Å; K116-G175 CarbonylContact O-C 3.54Å; K116-G175 WeakPolarHBondContact O-CA 3.36Å; K116-I176 HydrophobicContact CB-CD1 4.28Å; K116-I176 HydrophobicContact CB-CG1 3.83Å; K116-I176 PolarHBondContact N-O 3.2Å; K116-I176 PolarHBondContact O-N 3.39Å; K116-M303 HydrophobicContact CB-SD 4.25Å
117	R	96.7	Very high	97.3	Very high	133 Å²	133	50 Å²	50	50%	0.502	25%	0.249	S	C	.	.			trans	-83.9	74	167.7	-81.1	-176.8	-92.1	165.8	-9.1	109.7	Y105 E109 Y115 G119	Y105-R117 HydrophobicContact CD1-CG 4.47Å; Y105-R117 HydrophobicContact CE1-CG 3.62Å; Y105-R117 HydrophobicContact CE2-CG 4.35Å; Y105-R117 WeakPolarHBondContact OH-CG 3.24Å; E109-R117 IonicContact OE1-NH2 3.15Å; Y115-R117 HydrophobicContact CE2-CG 4.13Å; Y115-R117 PolarHBondContact OH-NH2 3.15Å; R117-G119 VanDerWaalsContact C-N 3.31Å
118	C	96.6	Very high	97.1	Very high	23 Å²	23	55.7 Å²	55.7	16%	0.155	28%	0.276	C	S	.	.			trans	-84.7	-2	-177.2	59	0	0	0	0	114.2	K116 G282 N283	K116-C118 VanDerWaalsContact C-N 3.31Å; K116-C118 HydrophobicContact CD-CB 4.04Å; K116-C118 HydrophobicContact CG-CB 4.07Å; K116-C118 PolarHBondContact O-N 3.33Å; K116-C118 VanDerWaalsContact O-N 3.15Å; C118-G282 WeakPolarHBondContact O-CA 2.98Å; C118-N283 PolarHBondContact SG-ND2 2.84Å
119	G	97.4	Very high	96.9	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.031	28%	0.282	C	S	.	.			trans	70.3	-178.9	-178.5	0	0	0	0	0	113.7	R117 S171 T174 N283	R117-G119 VanDerWaalsContact C-N 3.31Å; G119-S171 CarbonylContact C-O 3.53Å; G119-S171 WeakPolarHBondContact CA-O 3.07Å; G119-T174 VanDerWaalsContact CA-O 3.29Å; G119-T174 WeakPolarHBondContact CA-O 3.47Å; G119-T174 PolarHBondContact N-O 3.1Å; G119-N283 WeakPolarHBondContact O-CB 3.3Å; G119-N283 PolarHBondContact O-N 2.91Å; G119-N283 VanDerWaalsContact O-N 3.11Å; G119-N283 PolarHBondContact O-ND2 2.86Å
120	K	97.8	Very high	96.8	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	134.2	176.6	176.7	177.6	62.5	-164.5	0	110.8	I122 S171 T174 N283 Y285	K120-I122 HydrophobicContact CD-CG1 4.24Å; K120-I122 HydrophobicContact CG-CG1 4.32Å; K120-S171 PolarHBondContact N-O 3.27Å; K120-S171 PolarHBondContact O-N 2.97Å; K120-T174 HydrophobicContact CB-CG2 3.8Å; K120-T174 HydrophobicContact CD-CG2 4.26Å; K120-N283 CarbonylContact C-O 3.58Å; K120-N283 WeakPolarHBondContact CA-O 2.62Å; K120-N283 HydrophobicContact CB-CB 3.8Å; K120-N283 HydrophobicContact CD-CB 4.45Å; K120-N283 HydrophobicContact CG-CB 3.85Å; K120-Y285 HydrophobicContact CD-CD1 4.09Å; K120-Y285 HydrophobicContact CD-CD2 4.35Å; K120-Y285 HydrophobicContact CD-CE1 4.48Å; K120-Y285 HydrophobicContact CD-CG 4.06Å; K120-Y285 HydrophobicContact CG-CD1 4.21Å; K120-Y285 HydrophobicContact CG-CG 4.43Å
121	L	97.9	Very high	96.7	Very high	4 Å²	4	49 Å²	49	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	165.1	-62.4	-175.2	0	0	0	109.8	L123 I156 R159 E160 A168 D170 N283 Y285	L121-L123 HydrophobicContact CB-CD1 4.2Å; L121-L123 HydrophobicContact CB-CG 4.26Å; L121-I156 HydrophobicContact CD1-CG2 4.37Å; L121-R159 HydrophobicContact CD1-CB 4.04Å; L121-E160 HydrophobicContact CD1-CB 4.14Å; L121-E160 HydrophobicContact CD1-CG 3.67Å; L121-E160 HydrophobicContact CG-CG 4.44Å; L121-A168 HydrophobicContact CB-CB 4.38Å; L121-A168 HydrophobicContact CD2-CB 4.32Å; L121-D170 HydrophobicContact CD2-CB 3.73Å; L121-D170 WeakPolarHBondContact CD2-OD1 3.32Å; L121-N283 PolarHBondContact N-O 3.09Å; L121-Y285 PolarHBondContact O-N 2.66Å
122	I	97.1	Very high	96.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.1	166.3	-57.2	167.6	0	0	0	107	I85 Y86 K120 L133 L136 A168 L169 Y285 P286 V287	I85-I122 HydrophobicContact CD1-CD1 3.79Å; I85-I122 HydrophobicContact CG2-CD1 4.15Å; Y86-I122 HydrophobicContact CE1-CD1 4Å; Y86-I122 HydrophobicContact CE2-CD1 4.09Å; Y86-I122 WeakPolarHBondContact OH-CD1 3.43Å; Y86-I122 WeakPolarHBondContact OH-CG1 3.25Å; K120-I122 HydrophobicContact CD-CG1 4.24Å; K120-I122 HydrophobicContact CG-CG1 4.32Å; I122-L133 WeakPolarHBondContact O-CD1 3.33Å; I122-L136 HydrophobicContact CG2-CD1 4.42Å; I122-A168 CarbonylContact O-C 3.59Å; I122-A168 VanDerWaalsContact O-CA 3.23Å; I122-A168 WeakPolarHBondContact O-CA 3.29Å; I122-L169 HydrophobicContact CB-CB 4.19Å; I122-L169 HydrophobicContact CD1-CD2 4.08Å; I122-L169 PolarHBondContact N-O 3.14Å; I122-L169 PolarHBondContact O-N 2.76Å; I122-Y285 CarbonylContact C-O 3.49Å; I122-Y285 VanDerWaalsContact CA-O 3.3Å; I122-Y285 WeakPolarHBondContact CA-O 3.37Å; I122-P286 WeakPolarHBondContact CG2-O 3.33Å; I122-V287 HydrophobicContact CG2-CG2 4.05Å
123	L	95.8	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.5	-164.6	-75.6	141.7	0	0	0	112.9	L121 I156 C163 A168 I284 Y285 V287 Y372	L121-L123 HydrophobicContact CB-CD1 4.2Å; L121-L123 HydrophobicContact CB-CG 4.26Å; L123-I156 HydrophobicContact CD2-CD1 3.51Å; L123-I156 HydrophobicContact CD2-CG1 3.83Å; L123-I156 HydrophobicContact CD2-CG2 3.83Å; L123-C163 WeakPolarHBondContact CD1-SG 3.24Å; L123-A168 HydrophobicContact CD2-CB 3.8Å; L123-A168 HydrophobicContact CG-CB 4.1Å; L123-I284 HydrophobicContact CD1-CG2 3.38Å; L123-Y285 PolarHBondContact N-O 2.83Å; L123-V287 WeakPolarHBondContact O-CG2 3.23Å; L123-V287 PolarHBondContact O-N 3.25Å; L123-Y372 HydrophobicContact CB-CD1 3.82Å; L123-Y372 HydrophobicContact CB-CE1 3.82Å; L123-Y372 HydrophobicContact CD1-CD1 3.99Å
124	A	96.6	Very high	96.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.7	160.6	0	0	0	0	0	108.6	E129 I130 L133 I166 M167 V287	A124-E129 WeakPolarHBondContact CA-OE2 3.33Å; A124-E129 HydrophobicContact CB-CB 3.71Å; A124-I130 HydrophobicContact CB-CG1 4.19Å; A124-L133 HydrophobicContact CB-CD1 3.77Å; A124-I166 PolarHBondContact O-N 3.28Å; A124-M167 PolarHBondContact N-O 2.84Å; A124-M167 PolarHBondContact O-N 3.32Å; A124-V287 HydrophobicContact CB-CG2 4.22Å
125	V	94.8	Very high	96.3	Very high	21 Å²	21	50.6 Å²	50.6	13%	0.127	25%	0.245	C	C	.	.			trans	-104.4	-16.6	175.9	-64.5	0	0	0	0	112	E129 I166 K371 Y372	V125-E129 WeakPolarHBondContact CG2-OE2 3.32Å; V125-E129 PolarHBondContact N-OE2 3.41Å; V125-I166 WeakPolarHBondContact O-CD1 3.47Å; V125-K371 HydrophobicContact CG2-CB 4.2Å; V125-K371 HydrophobicContact CG2-CD 4.26Å; V125-Y372 HydrophobicContact CG1-CD1 3.62Å; V125-Y372 HydrophobicContact CG1-CE1 3.59Å; V125-Y372 HydrophobicContact CG1-CG 4.42Å; V125-Y372 HydrophobicContact CG2-CE1 4.2Å
126	E	93.9	Very high	96.2	Very high	80 Å²	80	48.8 Å²	48.8	37%	0.374	24%	0.239	S	C	.	.	S	Bend	trans	-118.7	155.6	172.8	-47.1	-68.9	174.8	0	0	111.3	E128 E129 I166 K371	E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 WeakPolarHBondContact CB-OE2 3.31Å; E126-E128 PolarHBondContact O-N 3.23Å; E126-E129 HydrophobicContact CB-CG 4.38Å; E126-E129 PolarHBondContact N-OE2 3.23Å; E126-E129 WeakPolarHBondContact O-CB 3.28Å; E126-E129 PolarHBondContact O-N 3.01Å; E126-I166 VanDerWaalsContact C-CD1 3.44Å; E126-K371 IonicContact OE1-NZ 2.87Å; E126-K371 PolarHBondContact OE1-NZ 3.22Å
127	Q	95.3	Very high	96.2	Very high	118 Å²	118	46.3 Å²	46.3	55%	0.551	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63.9	-33.9	-177.1	-71.5	-67.4	-23.1	0	0	112.5	E129 I130 I166	Q127-E129 PolarHBondContact O-N 3.2Å; Q127-I130 PolarHBondContact O-N 3.42Å; Q127-I166 HydrophobicContact CG-CD1 4.24Å
128	E	93.9	Very high	96.3	Very high	133 Å²	133	44.7 Å²	44.7	62%	0.621	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-70.8	-10.7	-179.2	-54.2	74	-159.8	0	0	112.7	E126 R132	E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 WeakPolarHBondContact CB-OE2 3.31Å; E126-E128 PolarHBondContact O-N 3.23Å; E128-R132 PolarHBondContact O-NE 3.45Å; E128-R132 PolarHBondContact O-NH2 3.48Å
129	E	94.9	Very high	96.2	Very high	25 Å²	25	48 Å²	48	12%	0.117	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-86.5	-22.5	176.2	-67.2	172.6	154.6	0	0	112.5	A124 V125 E126 Q127 R132 L133 V287	A124-E129 WeakPolarHBondContact CA-OE2 3.33Å; A124-E129 HydrophobicContact CB-CB 3.71Å; V125-E129 WeakPolarHBondContact CG2-OE2 3.32Å; V125-E129 PolarHBondContact N-OE2 3.41Å; E126-E129 HydrophobicContact CB-CG 4.38Å; E126-E129 PolarHBondContact N-OE2 3.23Å; E126-E129 WeakPolarHBondContact O-CB 3.28Å; E126-E129 PolarHBondContact O-N 3.01Å; Q127-E129 PolarHBondContact O-N 3.2Å; E129-R132 VanDerWaalsContact CG-NH2 3.28Å; E129-R132 WeakPolarHBondContact O-CB 3.44Å; E129-R132 PolarHBondContact O-N 3.22Å; E129-R132 VanDerWaalsContact O-N 3.15Å; E129-L133 PolarHBondContact O-N 3.39Å; E129-V287 HydrophobicContact CB-CB 4.23Å; E129-V287 HydrophobicContact CB-CG1 4.32Å; E129-V287 HydrophobicContact CB-CG2 4.31Å; E129-V287 HydrophobicContact CG-CB 4.47Å
130	I	96.4	Very high	96.2	Very high	23 Å²	23	47.8 Å²	47.8	12%	0.118	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-47	-175.1	-61.9	176	0	0	0	112.7	A124 Q127 R132 L133 K134 I166 M167	A124-I130 HydrophobicContact CB-CG1 4.19Å; Q127-I130 PolarHBondContact O-N 3.42Å; I130-R132 VanDerWaalsContact C-N 3.26Å; I130-R132 PolarHBondContact O-N 2.97Å; I130-L133 PolarHBondContact O-N 3.4Å; I130-K134 HydrophobicContact CG2-CD 4.29Å; I130-K134 HydrophobicContact CG2-CG 4.49Å; I130-K134 PolarHBondContact O-N 3.25Å; I130-I166 HydrophobicContact CD1-CG2 3.81Å; I130-M167 HydrophobicContact CG2-SD 4.09Å
131	P	96.4	Very high	96.2	Very high	88 Å²	88	51.1 Å²	51.1	57%	0.571	25%	0.25	S	S	*	.	H	α-helix	trans	-60.2	-37.7	178.1	-24.3	35.4	0	0	0	112.5	K134 A135	P131-K134 PolarHBondContact O-N 3.2Å; P131-A135 WeakPolarHBondContact O-CB 3.49Å; P131-A135 PolarHBondContact O-N 2.93Å
132	R	94.5	Very high	96.2	Very high	77 Å²	77	58 Å²	58	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-69.5	-39.3	177.5	-70.2	-179.5	-76.6	158.4	-8.3	111.9	E128 E129 I130 A135 L136 V287 P288	E128-R132 PolarHBondContact O-NE 3.45Å; E128-R132 PolarHBondContact O-NH2 3.48Å; E129-R132 VanDerWaalsContact CG-NH2 3.28Å; E129-R132 WeakPolarHBondContact O-CB 3.44Å; E129-R132 PolarHBondContact O-N 3.22Å; E129-R132 VanDerWaalsContact O-N 3.15Å; I130-R132 VanDerWaalsContact C-N 3.26Å; I130-R132 PolarHBondContact O-N 2.97Å; R132-A135 PolarHBondContact O-N 3.43Å; R132-L136 PolarHBondContact O-N 3.5Å; R132-V287 HydrophobicContact CB-CG1 3.7Å; R132-P288 PolarHBondContact NH1-O 2.91Å
133	L	96.6	Very high	96.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-45.1	174.1	-174	148.2	0	0	0	111.5	I122 A124 E129 I130 A135 L136 Y137 I150 M167 L169 V287	I122-L133 WeakPolarHBondContact O-CD1 3.33Å; A124-L133 HydrophobicContact CB-CD1 3.77Å; E129-L133 PolarHBondContact O-N 3.39Å; I130-L133 PolarHBondContact O-N 3.4Å; L133-A135 PolarHBondContact O-N 3.34Å; L133-L136 WeakPolarHBondContact O-CB 3.13Å; L133-L136 PolarHBondContact O-N 2.95Å; L133-L136 VanDerWaalsContact O-N 3.14Å; L133-Y137 PolarHBondContact O-N 3.38Å; L133-I150 HydrophobicContact CD2-CD1 4.49Å; L133-I150 HydrophobicContact CD2-CG1 4.46Å; L133-M167 HydrophobicContact CD2-CG 4.02Å; L133-M167 HydrophobicContact CD2-SD 4.11Å; L133-L169 HydrophobicContact CD1-CB 4.49Å; L133-L169 HydrophobicContact CD2-CB 4.13Å; L133-L169 HydrophobicContact CG-CB 4.14Å; L133-V287 HydrophobicContact CB-CG2 3.85Å; L133-V287 HydrophobicContact CD1-CG2 3.8Å; L133-V287 HydrophobicContact CG-CG2 4.23Å
134	K	97.6	Very high	96.2	Very high	107 Å²	107	66.8 Å²	66.8	47%	0.465	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.2	-70.9	-178.6	177.7	-177.6	0	111.8	I130 P131 L136 Y137 E138 I150	I130-K134 HydrophobicContact CG2-CD 4.29Å; I130-K134 HydrophobicContact CG2-CG 4.49Å; I130-K134 PolarHBondContact O-N 3.25Å; P131-K134 PolarHBondContact O-N 3.2Å; K134-L136 VanDerWaalsContact C-N 3.26Å; K134-L136 PolarHBondContact O-N 3.04Å; K134-Y137 WeakPolarHBondContact O-CB 3.14Å; K134-Y137 PolarHBondContact O-N 2.98Å; K134-Y137 VanDerWaalsContact O-N 3.11Å; K134-E138 PolarHBondContact O-N 2.86Å; K134-I150 HydrophobicContact CG-CD1 4.28Å
135	A	96.3	Very high	96.2	Very high	60 Å²	60	67.2 Å²	67.2	50%	0.496	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-34.3	174	0	0	0	0	0	112.6	P131 R132 L133 R139	P131-A135 WeakPolarHBondContact O-CB 3.49Å; P131-A135 PolarHBondContact O-N 2.93Å; R132-A135 PolarHBondContact O-N 3.43Å; L133-A135 PolarHBondContact O-N 3.34Å; A135-R139 WeakPolarHBondContact O-CB 3.17Å; A135-R139 PolarHBondContact O-N 3.03Å
136	L	95.7	Very high	96.2	Very high	16 Å²	16	71.6 Å²	71.6	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-69.5	-36.3	172.5	-76.6	178.4	0	0	0	113.1	I85 Y86 I122 R132 L133 K134 R139 G140 L169 P288	I85-L136 HydrophobicContact CG2-CB 4.37Å; Y86-L136 HydrophobicContact CD1-CD1 4.23Å; Y86-L136 HydrophobicContact CD1-CD2 3.92Å; Y86-L136 HydrophobicContact CE1-CD1 3.88Å; Y86-L136 HydrophobicContact CE1-CD2 4.41Å; I122-L136 HydrophobicContact CG2-CD1 4.42Å; R132-L136 PolarHBondContact O-N 3.5Å; L133-L136 WeakPolarHBondContact O-CB 3.13Å; L133-L136 PolarHBondContact O-N 2.95Å; L133-L136 VanDerWaalsContact O-N 3.14Å; K134-L136 VanDerWaalsContact C-N 3.26Å; K134-L136 PolarHBondContact O-N 3.04Å; L136-R139 PolarHBondContact O-N 3.48Å; L136-G140 PolarHBondContact O-N 3.2Å; L136-L169 HydrophobicContact CB-CD2 3.99Å; L136-P288 VanDerWaalsContact CD1-CD 3.48Å; L136-P288 HydrophobicContact CD1-CG 4.1Å
137	Y	97.9	Very high	96.2	Very high	58 Å²	58	73.4 Å²	73.4	23%	0.227	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-52.2	172.5	176.2	-112.5	0	0	0	110.7	L133 K134 R139 G140 L141 L148 I150 L169	L133-Y137 PolarHBondContact O-N 3.38Å; K134-Y137 WeakPolarHBondContact O-CB 3.14Å; K134-Y137 PolarHBondContact O-N 2.98Å; K134-Y137 VanDerWaalsContact O-N 3.11Å; Y137-R139 VanDerWaalsContact C-N 3.28Å; Y137-R139 PolarHBondContact O-N 2.88Å; Y137-G140 WeakPolarHBondContact O-CA 3.45Å; Y137-G140 PolarHBondContact O-N 2.93Å; Y137-L141 HydrophobicContact CD1-CD1 4.14Å; Y137-L141 HydrophobicContact CE1-CD1 3.58Å; Y137-L141 HydrophobicContact CE1-CG 4.21Å; Y137-L141 HydrophobicContact CE2-CD1 4.4Å; Y137-L141 HydrophobicContact CE2-CD2 4.05Å; Y137-L141 HydrophobicContact CE2-CG 4.22Å; Y137-L141 WeakPolarHBondContact O-CG 3.46Å; Y137-L141 PolarHBondContact O-N 3.39Å; Y137-L148 HydrophobicContact CD2-CD2 3.79Å; Y137-L148 HydrophobicContact CD2-CG 3.96Å; Y137-L148 HydrophobicContact CE2-CB 4.46Å; Y137-L148 HydrophobicContact CE2-CD2 4.29Å; Y137-L148 HydrophobicContact CE2-CG 4.22Å; Y137-L148 WeakPolarHBondContact CE2-O 3.3Å; Y137-I150 HydrophobicContact CD1-CD1 3.84Å; Y137-I150 HydrophobicContact CD1-CG1 4.27Å; Y137-I150 HydrophobicContact CD2-CD1 4.41Å; Y137-I150 HydrophobicContact CD2-CG1 3.98Å; Y137-I150 HydrophobicContact CE1-CD1 4.45Å; Y137-I150 HydrophobicContact CE2-CG1 4.45Å; Y137-I150 HydrophobicContact CG-CD1 3.81Å; Y137-I150 HydrophobicContact CG-CG1 3.87Å; Y137-L169 HydrophobicContact CD2-CD1 3.55Å; Y137-L169 HydrophobicContact CG-CD1 4.21Å
138	E	97.9	Very high	96.3	Very high	98 Å²	98	68.4 Å²	68.4	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-57.9	-40.3	176.9	-66.5	-53.6	137.8	0	0	112.6	K134 L141 K142	K134-E138 PolarHBondContact O-N 2.86Å; E138-L141 PolarHBondContact O-N 3.41Å; E138-K142 WeakPolarHBondContact O-CG 3.45Å; E138-K142 PolarHBondContact O-N 2.59Å
139	R	96.5	Very high	96.5	Very high	92 Å²	92	64.1 Å²	64.1	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174	-178.6	177.5	-67.1	-158.1	-1.5	111.6	I85 Y86 Y87 P89 A135 L136 Y137 L141 K142 N143	I85-R139 VanDerWaalsContact O-CD 3.27Å; I85-R139 WeakPolarHBondContact O-CD 3.21Å; I85-R139 WeakPolarHBondContact O-CG 3.07Å; Y86-R139 WeakPolarHBondContact O-CD 3.47Å; Y86-R139 PolarHBondContact O-NH1 3.11Å; Y87-R139 WeakPolarHBondContact O-CD 3.43Å; Y87-R139 WeakPolarHBondContact O-CG 3.41Å; P89-R139 HydrophobicContact CG-CG 3.99Å; A135-R139 WeakPolarHBondContact O-CB 3.17Å; A135-R139 PolarHBondContact O-N 3.03Å; L136-R139 PolarHBondContact O-N 3.48Å; Y137-R139 VanDerWaalsContact C-N 3.28Å; Y137-R139 PolarHBondContact O-N 2.88Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-L141 PolarHBondContact O-N 3.24Å; R139-K142 PolarHBondContact O-N 2.73Å; R139-N143 WeakPolarHBondContact O-CB 3.24Å; R139-N143 VanDerWaalsContact O-CG 3.29Å; R139-N143 PolarHBondContact O-N 3.14Å
140	G	96.8	Very high	96.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-41	177.2	0	0	0	0	0	112.7	L136 Y137 N143 K144 V145	L136-G140 PolarHBondContact O-N 3.2Å; Y137-G140 WeakPolarHBondContact O-CA 3.45Å; Y137-G140 PolarHBondContact O-N 2.93Å; G140-N143 CarbonylContact O-C 3.42Å; G140-N143 PolarHBondContact O-N 3.4Å; G140-K144 PolarHBondContact O-N 3.37Å; G140-K144 VanDerWaalsContact O-N 3.12Å; G140-V145 WeakPolarHBondContact O-CB 3.47Å; G140-V145 WeakPolarHBondContact O-CG2 3.3Å; G140-V145 PolarHBondContact O-N 2.99Å
141	L	97.7	Very high	96.8	Very high	74 Å²	74	66 Å²	66	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-47.4	173.8	-65.7	-175.5	0	0	0	111.7	Y137 E138 R139 N143 K144	Y137-L141 HydrophobicContact CD1-CD1 4.14Å; Y137-L141 HydrophobicContact CE1-CD1 3.58Å; Y137-L141 HydrophobicContact CE1-CG 4.21Å; Y137-L141 HydrophobicContact CE2-CD1 4.4Å; Y137-L141 HydrophobicContact CE2-CD2 4.05Å; Y137-L141 HydrophobicContact CE2-CG 4.22Å; Y137-L141 WeakPolarHBondContact O-CG 3.46Å; Y137-L141 PolarHBondContact O-N 3.39Å; E138-L141 PolarHBondContact O-N 3.41Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-L141 PolarHBondContact O-N 3.24Å; L141-N143 PolarHBondContact O-N 3.14Å; L141-K144 WeakPolarHBondContact O-CA 3.38Å; L141-K144 PolarHBondContact O-N 3.41Å
142	K	97.9	Very high	96.8	Very high	147 Å²	147	66.2 Å²	66.2	64%	0.639	32%	0.318	S	S	*	.	H	α-helix	trans	-61	-33.7	176	-70.8	175.5	-177.6	-179	0	112.7	P89 E138 R139 K144	P89-K142 HydrophobicContact CB-CB 3.98Å; P89-K142 HydrophobicContact CG-CB 3.91Å; P89-K142 HydrophobicContact CG-CD 4.19Å; E138-K142 WeakPolarHBondContact O-CG 3.45Å; E138-K142 PolarHBondContact O-N 2.59Å; R139-K142 PolarHBondContact O-N 2.73Å; K142-K144 PolarHBondContact O-N 3.42Å
143	N	96.6	Very high	96.9	Very high	14 Å²	14	64.5 Å²	64.5	8%	0.075	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.4	174.8	-70.1	-8.4	0	0	0	113.3	G84 Y87 P89 V98 R139 G140 L141 V145	G84-N143 PolarHBondContact O-ND2 3.08Å; Y87-N143 PolarHBondContact O-ND2 3.5Å; P89-N143 WeakPolarHBondContact CA-OD1 3.4Å; V98-N143 WeakPolarHBondContact CG2-O 3.36Å; R139-N143 WeakPolarHBondContact O-CB 3.24Å; R139-N143 VanDerWaalsContact O-CG 3.29Å; R139-N143 PolarHBondContact O-N 3.14Å; G140-N143 CarbonylContact O-C 3.42Å; G140-N143 PolarHBondContact O-N 3.4Å; L141-N143 PolarHBondContact O-N 3.14Å; N143-V145 VanDerWaalsContact C-N 3.3Å; N143-V145 HydrophobicContact CB-CG2 4.07Å; N143-V145 PolarHBondContact O-N 3.17Å
144	K	96.6	Very high	97	Very high	171 Å²	171	70.5 Å²	70.5	74%	0.743	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	37.5	-176	-49.8	-179.5	-179.8	-177.7	0	112.7	G140 L141 K142 R146	G140-K144 PolarHBondContact O-N 3.37Å; G140-K144 VanDerWaalsContact O-N 3.12Å; L141-K144 WeakPolarHBondContact O-CA 3.38Å; L141-K144 PolarHBondContact O-N 3.41Å; K142-K144 PolarHBondContact O-N 3.42Å; K144-R146 PolarHBondContact O-N 2.88Å
145	V	96.2	Very high	97	Very high	10 Å²	10	65.9 Å²	65.9	6%	0.061	33%	0.326	C	S	.	.			trans	-65.7	126.7	172.3	-179.1	0	0	0	0	109.1	S83 I85 V98 G140 N143 L148	S83-V145 WeakPolarHBondContact O-CG2 3.35Å; I85-V145 HydrophobicContact CG1-CG1 4.07Å; I85-V145 HydrophobicContact CG1-CG2 4.17Å; V98-V145 HydrophobicContact CG2-CG2 4.5Å; G140-V145 WeakPolarHBondContact O-CB 3.47Å; G140-V145 WeakPolarHBondContact O-CG2 3.3Å; G140-V145 PolarHBondContact O-N 2.99Å; N143-V145 VanDerWaalsContact C-N 3.3Å; N143-V145 HydrophobicContact CB-CG2 4.07Å; N143-V145 PolarHBondContact O-N 3.17Å; V145-L148 HydrophobicContact CB-CD2 4.45Å; V145-L148 HydrophobicContact CG1-CB 4.36Å; V145-L148 HydrophobicContact CG1-CD1 4.16Å
146	R	93.8	Very high	97	Very high	113 Å²	113	63 Å²	63	43%	0.426	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	140.7	-176.1	-62.4	-178.4	-176.9	170.3	3.7	112.1	T102 K144 L148 Y173	T102-R146 PolarHBondContact OG1-NH2 3.29Å; K144-R146 PolarHBondContact O-N 2.88Å; R146-L148 PolarHBondContact O-N 3.35Å; R146-Y173 HydrophobicContact CB-CD2 4.5Å; R146-Y173 HydrophobicContact CB-CG 4.25Å; R146-Y173 PolarHBondContact NH1-OH 2.6Å; R146-Y173 VanDerWaalsContact NH1-OH 3.14Å
147	D	95.3	Very high	97.1	Very high	117 Å²	117	67.8 Å²	67.8	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	27.3	168.3	-50	-35.6	0	0	0	114.4	P172	D147-P172 HydrophobicContact CB-CG 3.56Å; D147-P172 WeakPolarHBondContact O-CD 3.39Å; D147-P172 WeakPolarHBondContact O-CG 3.36Å
148	L	97.4	Very high	97	Very high	13 Å²	13	71.1 Å²	71.1	7%	0.068	34%	0.337	C	S	.	.			trans	-73.1	131.6	-179.5	-165.2	73.9	0	0	0	109.8	I85 Y137 V145 R146 L169 D170	I85-L148 HydrophobicContact CD1-CD1 3.79Å; I85-L148 HydrophobicContact CG1-CD1 4.09Å; Y137-L148 HydrophobicContact CD2-CD2 3.79Å; Y137-L148 HydrophobicContact CD2-CG 3.96Å; Y137-L148 HydrophobicContact CE2-CB 4.46Å; Y137-L148 HydrophobicContact CE2-CD2 4.29Å; Y137-L148 HydrophobicContact CE2-CG 4.22Å; Y137-L148 WeakPolarHBondContact CE2-O 3.3Å; V145-L148 HydrophobicContact CB-CD2 4.45Å; V145-L148 HydrophobicContact CG1-CB 4.36Å; V145-L148 HydrophobicContact CG1-CD1 4.16Å; R146-L148 PolarHBondContact O-N 3.35Å; L148-L169 HydrophobicContact CD1-CD1 3.6Å; L148-L169 HydrophobicContact CD1-CD2 4.31Å; L148-L169 HydrophobicContact CD1-CG 3.9Å; L148-L169 HydrophobicContact CD2-CD1 3.86Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; L148-L169 HydrophobicContact CG-CD1 3.49Å; L148-L169 VanDerWaalsContact CG-CD1 3.49Å; L148-L169 HydrophobicContact CG-CG 4.32Å; L148-D170 WeakPolarHBondContact CA-O 3.39Å; L148-D170 WeakPolarHBondContact CD1-O 3.26Å
149	S	98	Very high	96.9	Very high	43 Å²	43	71.2 Å²	71.2	30%	0.301	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.1	179.8	62.5	0	0	0	0	112.2	L169 D170	S149-L169 WeakPolarHBondContact O-CD1 3.46Å; S149-D170 PolarHBondContact N-O 3.01Å; S149-D170 PolarHBondContact O-N 2.93Å
150	I	98.3	Very high	96.9	Very high	60 Å²	60	67.2 Å²	67.2	31%	0.308	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.6	170.1	-65	178.3	0	0	0	108	L133 K134 Y137 M167 A168 L169	L133-I150 HydrophobicContact CD2-CD1 4.49Å; L133-I150 HydrophobicContact CD2-CG1 4.46Å; K134-I150 HydrophobicContact CG-CD1 4.28Å; Y137-I150 HydrophobicContact CD1-CD1 3.84Å; Y137-I150 HydrophobicContact CD1-CG1 4.27Å; Y137-I150 HydrophobicContact CD2-CD1 4.41Å; Y137-I150 HydrophobicContact CD2-CG1 3.98Å; Y137-I150 HydrophobicContact CE1-CD1 4.45Å; Y137-I150 HydrophobicContact CE2-CG1 4.45Å; Y137-I150 HydrophobicContact CG-CD1 3.81Å; Y137-I150 HydrophobicContact CG-CG1 3.87Å; I150-M167 HydrophobicContact CG2-CE 4.18Å; I150-M167 HydrophobicContact CG2-CG 3.56Å; I150-M167 HydrophobicContact CG2-SD 3.54Å; I150-M167 VanDerWaalsContact CG2-SD 3.54Å; I150-A168 CarbonylContact C-O 3.6Å; I150-A168 WeakPolarHBondContact CA-O 3.18Å; I150-L169 HydrophobicContact CG1-CD1 4.5Å
151	V	98.1	Very high	96.9	Very high	29 Å²	29	69.3 Å²	69.3	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.4	176.3	-61.5	0	0	0	0	110.7	I156 A168 D170	V151-I156 HydrophobicContact CG2-CG1 4.12Å; V151-A168 HydrophobicContact CG2-CB 3.78Å; V151-A168 PolarHBondContact N-O 3.46Å; V151-A168 PolarHBondContact O-N 3.23Å; V151-D170 HydrophobicContact CG1-CB 4.23Å; V151-D170 HydrophobicContact CG2-CB 4.36Å
152	D	97.8	Very high	96.8	Very high	92 Å²	92	69.1 Å²	69.1	49%	0.492	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-176.8	175.3	69.9	5.7	0	0	0	111.9	K154 G155 I156	D152-K154 PolarHBondContact O-N 3.04Å; D152-K154 WeakPolarHBondContact OD1-CA 3.46Å; D152-K154 WeakPolarHBondContact OD1-CB 3.5Å; D152-K154 PolarHBondContact OD1-N 3.11Å; D152-G155 PolarHBondContact O-N 3.26Å; D152-G155 PolarHBondContact OD1-N 2.97Å; D152-I156 VanDerWaalsContact O-CG1 3.3Å; D152-I156 WeakPolarHBondContact O-CG1 3.41Å; D152-I156 PolarHBondContact O-N 2.87Å
153	S	96.8	Very high	96.8	Very high	40 Å²	40	62.1 Å²	62.1	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-57.1	-28.2	176.3	-55.1	0	0	0	0	114.5	R157 G165 I166	S153-R157 WeakPolarHBondContact O-CG 3.37Å; S153-R157 VanDerWaalsContact O-CZ 3.28Å; S153-R157 PolarHBondContact O-N 3.26Å; S153-R157 PolarHBondContact O-NH1 2.66Å; S153-G165 WeakPolarHBondContact CB-O 3.46Å; S153-G165 PolarHBondContact OG-O 2.84Å; S153-I166 PolarHBondContact OG-O 3.26Å
154	K	97.3	Very high	96.7	Very high	126 Å²	126	65.9 Å²	65.9	55%	0.548	31%	0.309	S	S	.	.	H	α-helix	trans	-73.3	-49.2	176.7	-175.8	-173.4	174.6	-166	0	109.6	D152 I156 R157 E158	D152-K154 PolarHBondContact O-N 3.04Å; D152-K154 WeakPolarHBondContact OD1-CA 3.46Å; D152-K154 WeakPolarHBondContact OD1-CB 3.5Å; D152-K154 PolarHBondContact OD1-N 3.11Å; K154-I156 VanDerWaalsContact C-N 3.28Å; K154-I156 PolarHBondContact O-N 2.85Å; K154-R157 PolarHBondContact O-N 3.47Å; K154-R157 VanDerWaalsContact O-N 3.09Å; K154-E158 WeakPolarHBondContact CE-OE1 3.22Å; K154-E158 IonicContact NZ-OE1 3.96Å; K154-E158 WeakPolarHBondContact O-CG 3.42Å; K154-E158 PolarHBondContact O-N 2.77Å
155	G	97.3	Very high	96.7	Very high	10 Å²	10	58.5 Å²	58.5	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-34.4	176.1	0	0	0	0	0	113.3	D152 E158 R159	D152-G155 PolarHBondContact O-N 3.26Å; D152-G155 PolarHBondContact OD1-N 2.97Å; G155-E158 PolarHBondContact O-N 3.47Å; G155-R159 PolarHBondContact O-N 3.01Å; G155-R159 VanDerWaalsContact O-N 3.14Å
156	I	97.8	Very high	96.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-50.6	171	-69.9	162.9	0	0	0	110.6	L121 L123 V151 D152 K154 E158 R159 E160 C163 A168	L121-I156 HydrophobicContact CD1-CG2 4.37Å; L123-I156 HydrophobicContact CD2-CD1 3.51Å; L123-I156 HydrophobicContact CD2-CG1 3.83Å; L123-I156 HydrophobicContact CD2-CG2 3.83Å; V151-I156 HydrophobicContact CG2-CG1 4.12Å; D152-I156 VanDerWaalsContact O-CG1 3.3Å; D152-I156 WeakPolarHBondContact O-CG1 3.41Å; D152-I156 PolarHBondContact O-N 2.87Å; K154-I156 VanDerWaalsContact C-N 3.28Å; K154-I156 PolarHBondContact O-N 2.85Å; I156-E158 VanDerWaalsContact C-N 3.34Å; I156-E158 PolarHBondContact O-N 3.23Å; I156-R159 PolarHBondContact O-N 3.32Å; I156-E160 CarbonylContact O-C 3.55Å; I156-E160 PolarHBondContact O-N 2.93Å; I156-C163 HydrophobicContact CG2-CB 4.09Å; I156-A168 HydrophobicContact CD1-CB 3.79Å; I156-A168 HydrophobicContact CG1-CB 3.56Å
157	R	96.3	Very high	97	Very high	117 Å²	117	57 Å²	57	44%	0.442	28%	0.281	S	S	.	.	H	α-helix	trans	-68.8	-31.7	-178.1	-72	-175.1	-64.4	-95	1.9	113	S153 K154 R159 E160 P161	S153-R157 WeakPolarHBondContact O-CG 3.37Å; S153-R157 VanDerWaalsContact O-CZ 3.28Å; S153-R157 PolarHBondContact O-N 3.26Å; S153-R157 PolarHBondContact O-NH1 2.66Å; K154-R157 PolarHBondContact O-N 3.47Å; K154-R157 VanDerWaalsContact O-N 3.09Å; R157-R159 VanDerWaalsContact C-N 3.34Å; R157-E160 CarbonylContact O-C 3.47Å; R157-P161 WeakPolarHBondContact O-CA 3.09Å
158	E	96.3	Very high	97.1	Very high	127 Å²	127	51.5 Å²	51.5	59%	0.593	25%	0.251	S	S	*	.	H	α-helix	trans	-64.5	-40.9	174.6	-72	172.3	-179.3	0	0	111.3	K154 G155 I156	K154-E158 WeakPolarHBondContact CE-OE1 3.22Å; K154-E158 IonicContact NZ-OE1 3.96Å; K154-E158 WeakPolarHBondContact O-CG 3.42Å; K154-E158 PolarHBondContact O-N 2.77Å; G155-E158 PolarHBondContact O-N 3.47Å; I156-E158 VanDerWaalsContact C-N 3.34Å; I156-E158 PolarHBondContact O-N 3.23Å
159	R	95.4	Very high	97.1	Very high	100 Å²	100	50.9 Å²	50.9	38%	0.377	25%	0.248	S	C	.	.	H	α-helix	trans	-74.5	-52.6	176	-79.4	-90.8	178.4	139.1	-0.8	112.7	L121 G155 I156 R157 D170	L121-R159 HydrophobicContact CD1-CB 4.04Å; G155-R159 PolarHBondContact O-N 3.01Å; G155-R159 VanDerWaalsContact O-N 3.14Å; I156-R159 PolarHBondContact O-N 3.32Å; R157-R159 VanDerWaalsContact C-N 3.34Å; R159-D170 VanDerWaalsContact CZ-CG 3.45Å; R159-D170 IonicContact CZ-OD1 3.9Å; R159-D170 IonicContact CZ-OD2 3.01Å; R159-D170 IonicContact NE-OD1 2.87Å; R159-D170 IonicContact NE-OD2 3.41Å; R159-D170 IonicContact NH1-OD1 2.68Å; R159-D170 PolarHBondContact NH1-OD1 3.01Å; R159-D170 IonicContact NH1-OD2 2.64Å; R159-D170 PolarHBondContact NH1-OD2 2.98Å; R159-D170 IonicContact NH2-OD1 2.71Å; R159-D170 IonicContact NH2-OD2 2.79Å; R159-D170 PolarHBondContact NH2-OD2 2.85Å
160	E	97.3	Very high	97.1	Very high	9 Å²	9	49 Å²	49	4%	0.042	24%	0.235	C	C	.	.			trans	-128.1	89.1	-175.5	-66.1	-65.7	170.5	0	0	109.9	L121 I156 R157 Y162 C163 R281 G282 I284	L121-E160 HydrophobicContact CD1-CB 4.14Å; L121-E160 HydrophobicContact CD1-CG 3.67Å; L121-E160 HydrophobicContact CG-CG 4.44Å; I156-E160 CarbonylContact O-C 3.55Å; I156-E160 PolarHBondContact O-N 2.93Å; R157-E160 CarbonylContact O-C 3.47Å; E160-Y162 PolarHBondContact O-N 2.93Å; E160-Y162 VanDerWaalsContact O-N 3.09Å; E160-C163 HydrophobicContact CB-CB 3.48Å; E160-C163 VanDerWaalsContact CB-CB 3.48Å; E160-C163 HydrophobicContact CG-CB 4.49Å; E160-C163 WeakPolarHBondContact O-CB 3.37Å; E160-C163 PolarHBondContact O-N 3.34Å; E160-R281 PolarHBondContact OE1-N 3Å; E160-R281 WeakPolarHBondContact OE2-CB 3.35Å; E160-R281 PolarHBondContact OE2-N 3.18Å; E160-G282 VanDerWaalsContact OE1-CA 3.24Å; E160-G282 WeakPolarHBondContact OE1-CA 3.27Å; E160-G282 PolarHBondContact OE1-N 2.85Å; E160-I284 HydrophobicContact CB-CD1 4.43Å; E160-I284 HydrophobicContact CG-CD1 4.05Å; E160-I284 HydrophobicContact CG-CG1 4.2Å
161	P	96.8	Very high	97.1	Very high	43 Å²	43	46.2 Å²	46.2	28%	0.279	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.3	-170.6	-28.8	36	0	0	0	115.7	R157 R164	R157-P161 WeakPolarHBondContact O-CA 3.09Å; P161-R164 PolarHBondContact O-NH1 2.98Å
162	Y	96.7	Very high	97	Very high	70 Å²	70	46.4 Å²	46.4	28%	0.275	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.8	-179.5	-60.3	-79.8	0	0	0	113	E160 Y278 L279 E375	E160-Y162 PolarHBondContact O-N 2.93Å; E160-Y162 VanDerWaalsContact O-N 3.09Å; Y162-Y278 HydrophobicContact CD1-CE2 4.34Å; Y162-Y278 HydrophobicContact CD2-CD2 4.18Å; Y162-Y278 HydrophobicContact CD2-CE2 4.48Å; Y162-Y278 HydrophobicContact CE1-CD2 4.21Å; Y162-Y278 AromaticContact CE1-CE2 3.72Å; Y162-Y278 HydrophobicContact CE1-CE2 3.72Å; Y162-Y278 AromaticContact CE2-CD2 3.5Å; Y162-Y278 HydrophobicContact CE2-CD2 3.5Å; Y162-Y278 VanDerWaalsContact CE2-CD2 3.5Å; Y162-Y278 AromaticContact CE2-CE2 3.9Å; Y162-Y278 HydrophobicContact CE2-CE2 3.9Å; Y162-Y278 AromaticContact CZ-CD2 3.5Å; Y162-Y278 AromaticContact CZ-CE2 3.46Å; Y162-Y278 VanDerWaalsContact CZ-CE2 3.46Å; Y162-L279 HydrophobicContact CD1-CD2 3.67Å; Y162-L279 HydrophobicContact CD2-CD2 4.2Å; Y162-L279 HydrophobicContact CE1-CD2 4.25Å; Y162-L279 HydrophobicContact CG-CD2 3.63Å; Y162-E375 WeakPolarHBondContact CD1-OE1 3.44Å; Y162-E375 WeakPolarHBondContact CD1-OE2 3.44Å
163	C	96.2	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.204	C	C	.	.			trans	-86.3	147.9	-179.6	-165.2	0	0	0	0	111.8	L123 I156 E160 I284 Y372	L123-C163 WeakPolarHBondContact CD1-SG 3.24Å; I156-C163 HydrophobicContact CG2-CB 4.09Å; E160-C163 HydrophobicContact CB-CB 3.48Å; E160-C163 VanDerWaalsContact CB-CB 3.48Å; E160-C163 HydrophobicContact CG-CB 4.49Å; E160-C163 WeakPolarHBondContact O-CB 3.37Å; E160-C163 PolarHBondContact O-N 3.34Å; C163-I284 HydrophobicContact CB-CD1 4.36Å; C163-Y372 CarbonylContact C-O 3.54Å; C163-Y372 VanDerWaalsContact CA-O 3.24Å; C163-Y372 WeakPolarHBondContact CA-O 3.29Å; C163-Y372 PolarHBondContact SG-O 3.21Å; C163-Y372 VanDerWaalsContact SG-O 3.37Å
164	R	95.4	Very high	97	Very high	93 Å²	93	41.4 Å²	41.4	35%	0.351	19%	0.191	S	C	.	.			trans	-127.9	145.5	175.9	-59	-63.6	177.4	-95	-3.4	109.9	P161 Y372 P374	P161-R164 PolarHBondContact O-NH1 2.98Å; R164-Y372 PolarHBondContact N-O 3.07Å; R164-P374 HydrophobicContact CB-CG 4.4Å; R164-P374 HydrophobicContact CG-CG 3.76Å
165	G	96	Very high	97	Very high	17 Å²	17	35.4 Å²	35.4	18%	0.175	17%	0.165	C	C	.	.			trans	177.3	160.1	178.4	0	0	0	0	0	111	S153	S153-G165 WeakPolarHBondContact CB-O 3.46Å; S153-G165 PolarHBondContact OG-O 2.84Å
166	I	97.7	Very high	97.1	Very high	52 Å²	52	35 Å²	35	27%	0.267	16%	0.16	S	C	.	.	S	Bend	trans	-79	-42.6	178.3	-57.4	163.4	0	0	0	109.7	A124 V125 E126 Q127 I130 S153	A124-I166 PolarHBondContact O-N 3.28Å; V125-I166 WeakPolarHBondContact O-CD1 3.47Å; E126-I166 VanDerWaalsContact C-CD1 3.44Å; Q127-I166 HydrophobicContact CG-CD1 4.24Å; I130-I166 HydrophobicContact CD1-CG2 3.81Å; S153-I166 PolarHBondContact OG-O 3.26Å
167	M	98	Very high	97.1	Very high	40 Å²	40	35.1 Å²	35.1	20%	0.197	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.1	-178	-175.2	172.5	-76.5	0	0	109.3	A124 I130 L133 I150	A124-M167 PolarHBondContact N-O 2.84Å; A124-M167 PolarHBondContact O-N 3.32Å; I130-M167 HydrophobicContact CG2-SD 4.09Å; L133-M167 HydrophobicContact CD2-CG 4.02Å; L133-M167 HydrophobicContact CD2-SD 4.11Å; I150-M167 HydrophobicContact CG2-CE 4.18Å; I150-M167 HydrophobicContact CG2-CG 3.56Å; I150-M167 HydrophobicContact CG2-SD 3.54Å; I150-M167 VanDerWaalsContact CG2-SD 3.54Å
168	A	98.1	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.3	173.5	0	0	0	0	0	112.1	L121 I122 L123 I150 V151 I156	L121-A168 HydrophobicContact CB-CB 4.38Å; L121-A168 HydrophobicContact CD2-CB 4.32Å; I122-A168 CarbonylContact O-C 3.59Å; I122-A168 VanDerWaalsContact O-CA 3.23Å; I122-A168 WeakPolarHBondContact O-CA 3.29Å; L123-A168 HydrophobicContact CD2-CB 3.8Å; L123-A168 HydrophobicContact CG-CB 4.1Å; I150-A168 CarbonylContact C-O 3.6Å; I150-A168 WeakPolarHBondContact CA-O 3.18Å; V151-A168 HydrophobicContact CG2-CB 3.78Å; V151-A168 PolarHBondContact N-O 3.46Å; V151-A168 PolarHBondContact O-N 3.23Å; I156-A168 HydrophobicContact CD1-CB 3.79Å; I156-A168 HydrophobicContact CG1-CB 3.56Å
169	L	98.1	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.4	163.7	174.1	61.7	0	0	0	107.8	I85 I122 L133 L136 Y137 L148 S149 I150	I85-L169 HydrophobicContact CG2-CD2 3.84Å; I122-L169 HydrophobicContact CB-CB 4.19Å; I122-L169 HydrophobicContact CD1-CD2 4.08Å; I122-L169 PolarHBondContact N-O 3.14Å; I122-L169 PolarHBondContact O-N 2.76Å; L133-L169 HydrophobicContact CD1-CB 4.49Å; L133-L169 HydrophobicContact CD2-CB 4.13Å; L133-L169 HydrophobicContact CG-CB 4.14Å; L136-L169 HydrophobicContact CB-CD2 3.99Å; Y137-L169 HydrophobicContact CD2-CD1 3.55Å; Y137-L169 HydrophobicContact CG-CD1 4.21Å; L148-L169 HydrophobicContact CD1-CD1 3.6Å; L148-L169 HydrophobicContact CD1-CD2 4.31Å; L148-L169 HydrophobicContact CD1-CG 3.9Å; L148-L169 HydrophobicContact CD2-CD1 3.86Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; L148-L169 HydrophobicContact CG-CD1 3.49Å; L148-L169 VanDerWaalsContact CG-CD1 3.49Å; L148-L169 HydrophobicContact CG-CG 4.32Å; S149-L169 WeakPolarHBondContact O-CD1 3.46Å; I150-L169 HydrophobicContact CG1-CD1 4.5Å
170	D	98.3	Very high	97.4	Very high	5 Å²	5	25 Å²	25	3%	0.027	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.1	179.8	178.9	40.8	0	0	0	111.6	L121 L148 S149 V151 R159	L121-D170 HydrophobicContact CD2-CB 3.73Å; L121-D170 WeakPolarHBondContact CD2-OD1 3.32Å; L148-D170 WeakPolarHBondContact CA-O 3.39Å; L148-D170 WeakPolarHBondContact CD1-O 3.26Å; S149-D170 PolarHBondContact N-O 3.01Å; S149-D170 PolarHBondContact O-N 2.93Å; V151-D170 HydrophobicContact CG1-CB 4.23Å; V151-D170 HydrophobicContact CG2-CB 4.36Å; R159-D170 VanDerWaalsContact CZ-CG 3.45Å; R159-D170 IonicContact CZ-OD1 3.9Å; R159-D170 IonicContact CZ-OD2 3.01Å; R159-D170 IonicContact NE-OD1 2.87Å; R159-D170 IonicContact NE-OD2 3.41Å; R159-D170 IonicContact NH1-OD1 2.68Å; R159-D170 PolarHBondContact NH1-OD1 3.01Å; R159-D170 IonicContact NH1-OD2 2.64Å; R159-D170 PolarHBondContact NH1-OD2 2.98Å; R159-D170 IonicContact NH2-OD1 2.71Å; R159-D170 IonicContact NH2-OD2 2.79Å; R159-D170 PolarHBondContact NH2-OD2 2.85Å
171	S	97.9	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.			trans	-126.9	84.1	179.7	-174.9	0	0	0	0	110.5	S83 G119 K120 Y173 T174	S83-S171 WeakPolarHBondContact CB-OG 3.19Å; S83-S171 PolarHBondContact OG-OG 3.13Å; G119-S171 CarbonylContact C-O 3.53Å; G119-S171 WeakPolarHBondContact CA-O 3.07Å; K120-S171 PolarHBondContact N-O 3.27Å; K120-S171 PolarHBondContact O-N 2.97Å; S171-Y173 VanDerWaalsContact C-N 3.25Å; S171-Y173 PolarHBondContact O-N 2.78Å; S171-T174 WeakPolarHBondContact O-CB 3.38Å; S171-T174 PolarHBondContact O-N 3.49Å; S171-T174 PolarHBondContact O-OG1 2.97Å; S171-T174 PolarHBondContact OG-OG1 2.91Å; S171-T174 VanDerWaalsContact OG-OG1 3.09Å
172	P	96.8	Very high	97.5	Very high	34 Å²	34	26.7 Å²	26.7	22%	0.221	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.3	-175.8	27.6	-35.3	0	0	0	113.2	D147 T174	D147-P172 HydrophobicContact CB-CG 3.56Å; D147-P172 WeakPolarHBondContact O-CD 3.39Å; D147-P172 WeakPolarHBondContact O-CG 3.36Å; P172-T174 PolarHBondContact O-N 3.44Å
173	Y	95.8	Very high	97.6	Very high	27 Å²	27	23.4 Å²	23.4	11%	0.106	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.5	177.4	-157.1	-105.4	0	0	0	113.9	A101 Y105 R146 S171	A101-Y173 HydrophobicContact CB-CE1 4.26Å; Y105-Y173 AromaticContact CD2-CE1 3.82Å; Y105-Y173 HydrophobicContact CD2-CE1 3.82Å; Y105-Y173 HydrophobicContact CD2-CE2 4.35Å; Y105-Y173 AromaticContact CD2-CZ 3.61Å; Y105-Y173 WeakPolarHBondContact CD2-OH 3.4Å; Y105-Y173 HydrophobicContact CE2-CD1 4.13Å; Y105-Y173 AromaticContact CE2-CE1 3.68Å; Y105-Y173 HydrophobicContact CE2-CE1 3.68Å; Y105-Y173 HydrophobicContact CE2-CE2 4.34Å; Y105-Y173 AromaticContact CE2-CZ 3.78Å; Y105-Y173 PolarHBondContact OH-O 2.95Å; R146-Y173 HydrophobicContact CB-CD2 4.5Å; R146-Y173 HydrophobicContact CB-CG 4.25Å; R146-Y173 PolarHBondContact NH1-OH 2.6Å; R146-Y173 VanDerWaalsContact NH1-OH 3.14Å; S171-Y173 VanDerWaalsContact C-N 3.25Å; S171-Y173 PolarHBondContact O-N 2.78Å
174	T	97.6	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.			trans	-70.4	143	171.3	-55.2	0	0	0	0	109.6	V80 I81 S83 G119 K120 S171 P172	V80-T174 HydrophobicContact CG1-CG2 3.9Å; I81-T174 WeakPolarHBondContact O-CG2 3.46Å; S83-T174 PolarHBondContact OG-OG1 3.06Å; G119-T174 VanDerWaalsContact CA-O 3.29Å; G119-T174 WeakPolarHBondContact CA-O 3.47Å; G119-T174 PolarHBondContact N-O 3.1Å; K120-T174 HydrophobicContact CB-CG2 3.8Å; K120-T174 HydrophobicContact CD-CG2 4.26Å; S171-T174 WeakPolarHBondContact O-CB 3.38Å; S171-T174 PolarHBondContact O-N 3.49Å; S171-T174 PolarHBondContact O-OG1 2.97Å; S171-T174 PolarHBondContact OG-OG1 2.91Å; S171-T174 VanDerWaalsContact OG-OG1 3.09Å; P172-T174 PolarHBondContact O-N 3.44Å
175	G	97.7	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-166.3	176.3	0	0	0	0	0	113.6	V80 I81 Y105 K116	V80-G175 WeakPolarHBondContact CA-O 3.44Å; I81-G175 PolarHBondContact N-O 2.83Å; I81-G175 PolarHBondContact O-N 3.3Å; Y105-G175 WeakPolarHBondContact OH-CA 3.29Å; Y105-G175 PolarHBondContact OH-N 2.78Å; K116-G175 CarbonylContact O-C 3.54Å; K116-G175 WeakPolarHBondContact O-CA 3.36Å
176	I	98.2	Very high	98	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.1	-179.5	57.8	169.1	0	0	0	110.9	G79 V80 Y115 K116 T300 P301 M303	G79-I176 CarbonylContact O-C 3.59Å; G79-I176 VanDerWaalsContact O-CA 3.23Å; G79-I176 WeakPolarHBondContact O-CA 3.26Å; V80-I176 HydrophobicContact CG2-CG2 4.48Å; Y115-I176 WeakPolarHBondContact CA-O 3.35Å; K116-I176 HydrophobicContact CB-CD1 4.28Å; K116-I176 HydrophobicContact CB-CG1 3.83Å; K116-I176 PolarHBondContact N-O 3.2Å; K116-I176 PolarHBondContact O-N 3.39Å; I176-T300 HydrophobicContact CG2-CG2 4.45Å; I176-P301 HydrophobicContact CD1-CB 4.14Å; I176-P301 WeakPolarHBondContact CD1-O 3.4Å; I176-M303 HydrophobicContact CB-SD 4.48Å; I176-M303 HydrophobicContact CD1-SD 3.97Å; I176-M303 HydrophobicContact CG1-SD 3.77Å
177	V	98.5	Very high	98.1	Very high	2 Å²	2	21 Å²	21	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.2	176.4	65.4	0	0	0	0	109.3	G79 I81 I113 W179 V182	G79-V177 CarbonylContact C-O 3.52Å; G79-V177 WeakPolarHBondContact CA-O 3.41Å; G79-V177 PolarHBondContact O-N 2.97Å; G79-V177 VanDerWaalsContact O-O 3.1Å; I81-V177 HydrophobicContact CD1-CB 4.03Å; I81-V177 HydrophobicContact CD1-CG1 3.92Å; I81-V177 HydrophobicContact CG1-CB 4.3Å; I81-V177 HydrophobicContact CG1-CG1 3.72Å; I113-V177 HydrophobicContact CG2-CG2 3.96Å; V177-W179 HydrophobicContact CG1-CD2 3.56Å; V177-W179 VanDerWaalsContact CG1-CE2 3.45Å; V177-W179 HydrophobicContact CG1-CE3 3.85Å; V177-W179 HydrophobicContact CG1-CG 4.12Å; V177-W179 HydrophobicContact CG1-CH2 3.92Å; V177-W179 HydrophobicContact CG1-CZ2 3.66Å; V177-W179 HydrophobicContact CG1-CZ3 4.01Å; V177-W179 PolarHBondContact O-N 3.48Å; V177-V182 HydrophobicContact CG1-CG2 4.43Å; V177-V182 HydrophobicContact CG2-CG2 3.68Å
178	D	98.1	Very high	98.1	Very high	63 Å²	63	26.5 Å²	26.5	34%	0.337	12%	0.119	S	C	.	.			trans	-78.4	99.3	165.2	-174.6	-21.3	0	0	0	109.8	R180 M181 V182	D178-R180 PolarHBondContact O-N 2.82Å; D178-R180 WeakPolarHBondContact OD1-CA 3.47Å; D178-R180 VanDerWaalsContact OD1-CB 3.23Å; D178-R180 WeakPolarHBondContact OD1-CB 3.48Å; D178-R180 PolarHBondContact OD1-N 3.41Å; D178-M181 HydrophobicContact CB-CB 3.87Å; D178-M181 WeakPolarHBondContact O-CB 3.22Å; D178-M181 PolarHBondContact O-N 3.25Å; D178-M181 VanDerWaalsContact O-N 3.13Å; D178-M181 PolarHBondContact OD1-N 3.04Å; D178-V182 PolarHBondContact O-N 3.43Å
179	W	97.9	Very high	98.1	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.019	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-23	179.1	-73.5	121.4	0	0	0	113.7	I42 N77 V80 I81 A104 V177 V182 A183 A427	I42-W179 HydrophobicContact CD1-CB 4.48Å; I42-W179 HydrophobicContact CD1-CD2 4.4Å; I42-W179 HydrophobicContact CD1-CE3 3.69Å; I42-W179 HydrophobicContact CD1-CZ3 4.37Å; N77-W179 VanDerWaalsContact OD1-CD1 3.24Å; V80-W179 PolarHBondContact O-NE1 2.88Å; I81-W179 HydrophobicContact CB-CZ2 4.32Å; I81-W179 HydrophobicContact CG1-CH2 4.11Å; I81-W179 HydrophobicContact CG1-CZ2 3.64Å; A104-W179 HydrophobicContact CB-CH2 3.85Å; A104-W179 HydrophobicContact CB-CZ3 4.38Å; V177-W179 HydrophobicContact CG1-CD2 3.56Å; V177-W179 VanDerWaalsContact CG1-CE2 3.45Å; V177-W179 HydrophobicContact CG1-CE3 3.85Å; V177-W179 HydrophobicContact CG1-CG 4.12Å; V177-W179 HydrophobicContact CG1-CH2 3.92Å; V177-W179 HydrophobicContact CG1-CZ2 3.66Å; V177-W179 HydrophobicContact CG1-CZ3 4.01Å; V177-W179 PolarHBondContact O-N 3.48Å; W179-V182 HydrophobicContact CE3-CB 3.99Å; W179-V182 HydrophobicContact CE3-CG1 4.06Å; W179-V182 HydrophobicContact CE3-CG2 4.03Å; W179-V182 HydrophobicContact CZ3-CB 4.44Å; W179-V182 HydrophobicContact CZ3-CG1 4.11Å; W179-V182 HydrophobicContact CZ3-CG2 4.3Å; W179-A183 WeakPolarHBondContact O-CB 3.49Å; W179-A183 PolarHBondContact O-N 3.46Å; W179-A427 HydrophobicContact CB-CB 4.44Å; W179-A427 HydrophobicContact CD2-CB 3.69Å; W179-A427 HydrophobicContact CE3-CB 4.2Å; W179-A427 HydrophobicContact CG-CB 3.79Å; W179-A427 WeakPolarHBondContact CH2-O 3.45Å; W179-A427 HydrophobicContact CZ2-CB 4.44Å; W179-A427 WeakPolarHBondContact CZ3-O 3.28Å
180	R	97.6	Very high	98.1	Very high	64 Å²	64	26.8 Å²	26.8	24%	0.242	12%	0.121	C	C	.	.	H	α-helix	trans	-68.8	-45.2	171.7	-175.1	175.3	163.2	82.1	-1.5	109.6	E68 L69 A70 S74 D178 V182 A183 L184	E68-R180 IonicContact OE2-CZ 3.54Å; E68-R180 IonicContact OE2-NH2 2.75Å; E68-R180 PolarHBondContact OE2-NH2 3.23Å; L69-R180 PolarHBondContact O-NH1 2.94Å; A70-R180 HydrophobicContact CB-CG 4.23Å; A70-R180 PolarHBondContact O-NH1 2.86Å; S74-R180 PolarHBondContact O-N 3.19Å; D178-R180 PolarHBondContact O-N 2.82Å; D178-R180 WeakPolarHBondContact OD1-CA 3.47Å; D178-R180 VanDerWaalsContact OD1-CB 3.23Å; D178-R180 WeakPolarHBondContact OD1-CB 3.48Å; D178-R180 PolarHBondContact OD1-N 3.41Å; R180-V182 VanDerWaalsContact C-N 3.31Å; R180-V182 PolarHBondContact O-N 3.32Å; R180-A183 PolarHBondContact O-N 2.83Å; R180-L184 HydrophobicContact CG-CD1 4.18Å; R180-L184 HydrophobicContact CG-CG 4.41Å; R180-L184 WeakPolarHBondContact O-CB 3.4Å; R180-L184 VanDerWaalsContact O-CG 3.27Å; R180-L184 WeakPolarHBondContact O-CG 3.36Å; R180-L184 PolarHBondContact O-N 3.08Å
181	M	98.3	Very high	98.2	Very high	86 Å²	86	29.3 Å²	29.3	42%	0.424	13%	0.132	S	C	.	.	H	α-helix	trans	-58.7	-43.2	175.2	-173.5	-179.2	-65.7	0	0	111.8	I113 D178 L184 R185	I113-M181 HydrophobicContact CG2-CG 4.37Å; I113-M181 HydrophobicContact CG2-SD 3.99Å; D178-M181 HydrophobicContact CB-CB 3.87Å; D178-M181 WeakPolarHBondContact O-CB 3.22Å; D178-M181 PolarHBondContact O-N 3.25Å; D178-M181 VanDerWaalsContact O-N 3.13Å; D178-M181 PolarHBondContact OD1-N 3.04Å; M181-L184 PolarHBondContact O-N 3.16Å; M181-R185 PolarHBondContact O-N 2.77Å
182	V	98.8	Very high	98.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-48.8	175.5	175.8	0	0	0	0	111.3	I42 Y107 I113 V177 D178 W179 R180 L184 R185 Y186	I42-V182 HydrophobicContact CD1-CG1 4.45Å; Y107-V182 HydrophobicContact CD1-CG1 4.38Å; Y107-V182 HydrophobicContact CE1-CG1 4.26Å; I113-V182 HydrophobicContact CD1-CG2 4.1Å; I113-V182 HydrophobicContact CG2-CG2 4.09Å; V177-V182 HydrophobicContact CG1-CG2 4.43Å; V177-V182 HydrophobicContact CG2-CG2 3.68Å; D178-V182 PolarHBondContact O-N 3.43Å; W179-V182 HydrophobicContact CE3-CB 3.99Å; W179-V182 HydrophobicContact CE3-CG1 4.06Å; W179-V182 HydrophobicContact CE3-CG2 4.03Å; W179-V182 HydrophobicContact CZ3-CB 4.44Å; W179-V182 HydrophobicContact CZ3-CG1 4.11Å; W179-V182 HydrophobicContact CZ3-CG2 4.3Å; R180-V182 VanDerWaalsContact C-N 3.31Å; R180-V182 PolarHBondContact O-N 3.32Å; V182-L184 PolarHBondContact O-N 3.12Å; V182-R185 PolarHBondContact O-N 3.24Å; V182-R185 VanDerWaalsContact O-N 3.14Å; V182-Y186 HydrophobicContact CG1-CD2 4.46Å; V182-Y186 HydrophobicContact CG1-CE1 3.92Å; V182-Y186 HydrophobicContact CG1-CE2 3.75Å; V182-Y186 VanDerWaalsContact CG1-CZ 3.41Å; V182-Y186 WeakPolarHBondContact CG1-OH 3.5Å; V182-Y186 PolarHBondContact O-N 3.41Å
183	A	98.7	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-45	178.5	0	0	0	0	0	112	I42 L45 A70 W179 R180 R185 Y186 G187	I42-A183 HydrophobicContact CB-CB 4.02Å; I42-A183 HydrophobicContact CD1-CB 4.42Å; I42-A183 HydrophobicContact CG1-CB 4Å; L45-A183 HydrophobicContact CD1-CB 4Å; L45-A183 WeakPolarHBondContact CD1-O 3.48Å; A70-A183 HydrophobicContact CB-CB 3.76Å; W179-A183 WeakPolarHBondContact O-CB 3.49Å; W179-A183 PolarHBondContact O-N 3.46Å; R180-A183 PolarHBondContact O-N 2.83Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 3.06Å; A183-Y186 WeakPolarHBondContact O-CA 3.38Å; A183-Y186 WeakPolarHBondContact O-CB 3.31Å; A183-Y186 PolarHBondContact O-N 3.21Å; A183-G187 PolarHBondContact O-N 2.66Å
184	L	98.7	Very high	98.3	Very high	58 Å²	58	37.6 Å²	37.6	30%	0.304	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-35.8	175.6	-67.8	176.4	0	0	0	111.9	L69 R180 M181 V182 G187 R188	L69-L184 HydrophobicContact CB-CD2 3.81Å; R180-L184 HydrophobicContact CG-CD1 4.18Å; R180-L184 HydrophobicContact CG-CG 4.41Å; R180-L184 WeakPolarHBondContact O-CB 3.4Å; R180-L184 VanDerWaalsContact O-CG 3.27Å; R180-L184 WeakPolarHBondContact O-CG 3.36Å; R180-L184 PolarHBondContact O-N 3.08Å; M181-L184 PolarHBondContact O-N 3.16Å; V182-L184 PolarHBondContact O-N 3.12Å; L184-G187 PolarHBondContact O-N 3.42Å; L184-R188 PolarHBondContact O-N 2.84Å
185	R	98.8	Very high	98.3	Very high	54 Å²	54	37.9 Å²	37.9	20%	0.204	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-37.5	172.9	-169.6	65.6	178.6	123.4	-10.6	111.9	Y107 K111 I113 M181 V182 A183 G187 R188 D189 E192	Y107-R185 HydrophobicContact CE1-CB 4.43Å; Y107-R185 HydrophobicContact CE1-CG 4.29Å; Y107-R185 WeakPolarHBondContact OH-CG 3.47Å; K111-R185 HydrophobicContact CB-CG 4.24Å; K111-R185 HydrophobicContact CD-CG 4.46Å; K111-R185 HydrophobicContact CG-CG 4.26Å; I113-R185 HydrophobicContact CD1-CB 3.97Å; I113-R185 HydrophobicContact CD1-CG 4.18Å; M181-R185 PolarHBondContact O-N 2.77Å; V182-R185 PolarHBondContact O-N 3.24Å; V182-R185 VanDerWaalsContact O-N 3.14Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 3.06Å; R185-G187 VanDerWaalsContact C-N 3.3Å; R185-G187 PolarHBondContact O-N 2.71Å; R185-R188 PolarHBondContact O-N 3.48Å; R185-D189 IonicContact CZ-OD1 3.16Å; R185-D189 IonicContact NE-OD1 2.96Å; R185-D189 IonicContact NH1-OD1 3.94Å; R185-D189 PolarHBondContact NH1-OD1 3.36Å; R185-D189 VanDerWaalsContact NH1-OD1 3.14Å; R185-D189 IonicContact NH2-OD1 2.89Å; R185-D189 PolarHBondContact O-N 3.13Å; R185-E192 IonicContact CZ-OE1 2.95Å; R185-E192 IonicContact NH1-OE1 2.84Å; R185-E192 PolarHBondContact NH1-OE1 3.42Å; R185-E192 IonicContact NH1-OE2 2.87Å; R185-E192 PolarHBondContact NH1-OE2 3.34Å; R185-E192 IonicContact NH2-OE1 2.71Å; R185-E192 IonicContact NH2-OE2 3.82Å
186	Y	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-42	171.4	-61.7	-28.9	0	0	0	111.9	I42 A46 Y107 V182 A183 R188 D189 F190 S430 L431	I42-Y186 HydrophobicContact CD1-CE2 4.14Å; I42-Y186 HydrophobicContact CG1-CD2 4.01Å; I42-Y186 HydrophobicContact CG1-CE2 3.69Å; A46-Y186 HydrophobicContact CB-CD2 3.88Å; A46-Y186 HydrophobicContact CB-CE2 3.9Å; Y107-Y186 AromaticContact CD1-CE1 3.74Å; Y107-Y186 HydrophobicContact CD1-CE1 3.74Å; Y107-Y186 HydrophobicContact CD2-CE1 4.16Å; Y107-Y186 AromaticContact CE1-CD1 3.76Å; Y107-Y186 HydrophobicContact CE1-CD1 3.76Å; Y107-Y186 AromaticContact CE1-CE1 3.31Å; Y107-Y186 HydrophobicContact CE1-CE1 3.31Å; Y107-Y186 HydrophobicContact CE2-CD1 4.02Å; Y107-Y186 AromaticContact CE2-CE1 3.79Å; Y107-Y186 HydrophobicContact CE2-CE1 3.79Å; Y107-Y186 HydrophobicContact CG-CE1 4.14Å; Y107-Y186 AromaticContact CZ-CD1 3.41Å; Y107-Y186 VanDerWaalsContact CZ-CD1 3.41Å; Y107-Y186 AromaticContact CZ-CE1 3.33Å; Y107-Y186 WeakPolarHBondContact OH-CD1 3.42Å; V182-Y186 HydrophobicContact CG1-CD2 4.46Å; V182-Y186 HydrophobicContact CG1-CE1 3.92Å; V182-Y186 HydrophobicContact CG1-CE2 3.75Å; V182-Y186 VanDerWaalsContact CG1-CZ 3.41Å; V182-Y186 WeakPolarHBondContact CG1-OH 3.5Å; V182-Y186 PolarHBondContact O-N 3.41Å; A183-Y186 WeakPolarHBondContact O-CA 3.38Å; A183-Y186 WeakPolarHBondContact O-CB 3.31Å; A183-Y186 PolarHBondContact O-N 3.21Å; Y186-R188 PolarHBondContact O-N 2.78Å; Y186-D189 WeakPolarHBondContact O-CB 3.45Å; Y186-D189 PolarHBondContact O-N 3.19Å; Y186-F190 WeakPolarHBondContact O-CB 3.42Å; Y186-F190 PolarHBondContact O-N 2.97Å; Y186-S430 PolarHBondContact OH-OG 2.76Å; Y186-L431 HydrophobicContact CE1-CD2 3.75Å; Y186-L431 HydrophobicContact CE1-CG 4.25Å; Y186-L431 WeakPolarHBondContact OH-CG 2.99Å
187	G	98.7	Very high	98.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-45.1	174.1	0	0	0	0	0	112.5	A183 L184 R185 F190 E191	A183-G187 PolarHBondContact O-N 2.66Å; L184-G187 PolarHBondContact O-N 3.42Å; R185-G187 VanDerWaalsContact C-N 3.3Å; R185-G187 PolarHBondContact O-N 2.71Å; G187-F190 WeakPolarHBondContact O-CB 3.41Å; G187-F190 PolarHBondContact O-N 3.49Å; G187-E191 WeakPolarHBondContact O-CG 3.46Å; G187-E191 PolarHBondContact O-N 2.71Å
188	R	98.7	Very high	98.3	Very high	155 Å²	155	41.1 Å²	41.1	59%	0.585	21%	0.214	S	C	*	.	H	α-helix	trans	-63.2	-42.9	174.5	-68.5	-179.5	-174.5	174.8	2.3	112.6	L184 R185 Y186 F190 E191 E192	L184-R188 PolarHBondContact O-N 2.84Å; R185-R188 PolarHBondContact O-N 3.48Å; Y186-R188 PolarHBondContact O-N 2.78Å; R188-F190 VanDerWaalsContact C-N 3.26Å; R188-F190 PolarHBondContact O-N 2.85Å; R188-E191 PolarHBondContact O-N 3.25Å; R188-E192 VanDerWaalsContact O-CB 3.29Å; R188-E192 WeakPolarHBondContact O-CB 3.37Å; R188-E192 WeakPolarHBondContact O-CG 3.26Å; R188-E192 PolarHBondContact O-N 3.35Å
189	D	98.7	Very high	98.3	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.032	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-37.9	176.1	-81.3	19.2	0	0	0	111.6	R49 Y107 K111 R185 Y186 A193	R49-D189 HydrophobicContact CG-CB 3.93Å; R49-D189 IonicContact CZ-OD2 3.95Å; R49-D189 IonicContact NE-OD2 3.85Å; R49-D189 PolarHBondContact NE-OD2 3.31Å; R49-D189 IonicContact NH2-OD2 3.27Å; Y107-D189 PolarHBondContact OH-OD2 3.09Å; K111-D189 WeakPolarHBondContact CE-OD1 3.19Å; K111-D189 WeakPolarHBondContact CE-OD2 3.43Å; K111-D189 IonicContact NZ-OD1 3.42Å; K111-D189 PolarHBondContact NZ-OD1 3.21Å; K111-D189 IonicContact NZ-OD2 2.71Å; K111-D189 PolarHBondContact NZ-OD2 3.14Å; R185-D189 IonicContact CZ-OD1 3.16Å; R185-D189 IonicContact NE-OD1 2.96Å; R185-D189 IonicContact NH1-OD1 3.94Å; R185-D189 PolarHBondContact NH1-OD1 3.36Å; R185-D189 VanDerWaalsContact NH1-OD1 3.14Å; R185-D189 IonicContact NH2-OD1 2.89Å; R185-D189 PolarHBondContact O-N 3.13Å; Y186-D189 WeakPolarHBondContact O-CB 3.45Å; Y186-D189 PolarHBondContact O-N 3.19Å; D189-A193 WeakPolarHBondContact O-CB 3.09Å; D189-A193 PolarHBondContact O-N 2.9Å
190	F	98.8	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-45.2	175.5	170.4	-107.4	0	0	0	112	A48 R49 I52 F60 L62 Y186 G187 R188 A193 G194 G195 V197	A48-F190 HydrophobicContact CB-CD2 3.79Å; A48-F190 HydrophobicContact CB-CE2 3.87Å; A48-F190 HydrophobicContact CB-CG 4.23Å; A48-F190 HydrophobicContact CB-CZ 4.35Å; A48-F190 WeakPolarHBondContact O-CD2 3.39Å; R49-F190 HydrophobicContact CB-CB 4.45Å; I52-F190 HydrophobicContact CB-CD2 4.14Å; I52-F190 HydrophobicContact CB-CE2 4.21Å; I52-F190 HydrophobicContact CD1-CD2 4.12Å; I52-F190 HydrophobicContact CD1-CE2 3.95Å; I52-F190 HydrophobicContact CG2-CD2 3.72Å; I52-F190 HydrophobicContact CG2-CE2 4.3Å; F60-F190 HydrophobicContact CB-CE2 3.56Å; F60-F190 HydrophobicContact CB-CZ 3.63Å; F60-F190 HydrophobicContact CG-CE2 4.21Å; L62-F190 HydrophobicContact CB-CE1 3.91Å; L62-F190 HydrophobicContact CB-CZ 4.37Å; Y186-F190 WeakPolarHBondContact O-CB 3.42Å; Y186-F190 PolarHBondContact O-N 2.97Å; G187-F190 WeakPolarHBondContact O-CB 3.41Å; G187-F190 PolarHBondContact O-N 3.49Å; R188-F190 VanDerWaalsContact C-N 3.26Å; R188-F190 PolarHBondContact O-N 2.85Å; F190-A193 PolarHBondContact O-N 3.08Å; F190-G194 PolarHBondContact O-N 3.44Å; F190-G195 VanDerWaalsContact CZ-CA 3.44Å; F190-G195 WeakPolarHBondContact O-CA 3.43Å; F190-G195 PolarHBondContact O-N 3.39Å; F190-V197 HydrophobicContact CD1-CG2 3.91Å; F190-V197 HydrophobicContact CE1-CG2 4.01Å
191	E	98.4	Very high	98.3	Very high	58 Å²	58	42.4 Å²	42.4	27%	0.271	23%	0.225	S	C	.	.	H	α-helix	trans	-66.5	-40	176.3	-67.3	-179.6	141.2	0	0	112.5	R27 G187 R188 A193 G194 V197	R27-E191 IonicContact CZ-OE1 3.63Å; R27-E191 IonicContact CZ-OE2 2.94Å; R27-E191 IonicContact NH1-OE1 3.5Å; R27-E191 PolarHBondContact NH1-OE1 3.41Å; R27-E191 IonicContact NH2-OE1 3.22Å; R27-E191 PolarHBondContact NH2-OE1 2.86Å; R27-E191 IonicContact NH2-OE2 2.65Å; R27-E191 PolarHBondContact NH2-OE2 3.25Å; G187-E191 WeakPolarHBondContact O-CG 3.46Å; G187-E191 PolarHBondContact O-N 2.71Å; R188-E191 PolarHBondContact O-N 3.25Å; E191-A193 PolarHBondContact O-N 3.45Å; E191-G194 PolarHBondContact O-N 3.48Å; E191-V197 HydrophobicContact CG-CG2 3.79Å
192	E	98.2	Very high	98.3	Very high	128 Å²	128	42.3 Å²	42.3	60%	0.598	22%	0.223	S	C	*	.	H	α-helix	trans	-59.9	-29.3	173.6	-76.7	168	-164.9	0	0	111.7	R185 R188 G194	R185-E192 IonicContact CZ-OE1 2.95Å; R185-E192 IonicContact NH1-OE1 2.84Å; R185-E192 PolarHBondContact NH1-OE1 3.42Å; R185-E192 IonicContact NH1-OE2 2.87Å; R185-E192 PolarHBondContact NH1-OE2 3.34Å; R185-E192 IonicContact NH2-OE1 2.71Å; R185-E192 IonicContact NH2-OE2 3.82Å; R188-E192 VanDerWaalsContact O-CB 3.29Å; R188-E192 WeakPolarHBondContact O-CB 3.37Å; R188-E192 WeakPolarHBondContact O-CG 3.26Å; R188-E192 PolarHBondContact O-N 3.35Å; E192-G194 VanDerWaalsContact C-N 3.31Å
193	A	97.9	Very high	98.2	Very high	48 Å²	48	43 Å²	43	40%	0.397	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.5	175.2	0	0	0	0	0	113.9	I52 D189 F190 E191	I52-A193 HydrophobicContact CD1-CB 4.02Å; I52-A193 WeakPolarHBondContact CD1-O 3.46Å; I52-A193 HydrophobicContact CG1-CB 4.11Å; I52-A193 HydrophobicContact CG2-CB 3.7Å; D189-A193 WeakPolarHBondContact O-CB 3.09Å; D189-A193 PolarHBondContact O-N 2.9Å; F190-A193 PolarHBondContact O-N 3.08Å; E191-A193 PolarHBondContact O-N 3.45Å
194	G	97.6	Very high	98	Very high	59 Å²	59	45.1 Å²	45.1	61%	0.608	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.7	3.9	177.9	0	0	0	0	0	115.2	F190 E191 E192	F190-G194 PolarHBondContact O-N 3.44Å; E191-G194 PolarHBondContact O-N 3.48Å; E192-G194 VanDerWaalsContact C-N 3.31Å
195	G	98.1	Very high	97.8	Very high	5 Å²	5	45.3 Å²	45.3	5%	0.052	24%	0.244	C	C	.	.			trans	-70.9	146.7	177.6	0	0	0	0	0	112.9	I52 F190	I52-G195 VanDerWaalsContact CD1-N 3.25Å; F190-G195 VanDerWaalsContact CZ-CA 3.44Å; F190-G195 WeakPolarHBondContact O-CA 3.43Å; F190-G195 PolarHBondContact O-N 3.39Å
196	T	98.3	Very high	97.7	Very high	14 Å²	14	43 Å²	43	9%	0.086	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.6	174.6	-63.3	0	0	0	0	110.9	F60 V61 L62 L198	F60-T196 PolarHBondContact O-N 3.42Å; V61-T196 CarbonylContact C-O 3.5Å; V61-T196 VanDerWaalsContact CA-O 3.28Å; V61-T196 WeakPolarHBondContact CA-O 3.48Å; V61-T196 HydrophobicContact CG2-CG2 4.34Å; L62-T196 PolarHBondContact N-O 2.95Å; T196-L198 HydrophobicContact CG2-CD2 3.98Å; T196-L198 HydrophobicContact CG2-CG 4.23Å
197	V	98.3	Very high	97.4	Very high	19 Å²	19	44.6 Å²	44.6	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.8	172.3	177.3	0	0	0	0	109.4	L62 L69 F190 E191 T199	L62-V197 HydrophobicContact CB-CG2 4.38Å; L62-V197 HydrophobicContact CD2-CG1 4.09Å; L69-V197 HydrophobicContact CD1-CG1 4.33Å; L69-V197 HydrophobicContact CD2-CG1 3.96Å; L69-V197 HydrophobicContact CG-CG1 4.42Å; F190-V197 HydrophobicContact CD1-CG2 3.91Å; F190-V197 HydrophobicContact CE1-CG2 4.01Å; E191-V197 HydrophobicContact CG-CG2 3.79Å; V197-T199 HydrophobicContact CG1-CG2 4.31Å
198	L	97.7	Very high	97	Very high	39 Å²	39	47.7 Å²	47.7	20%	0.204	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109.5	172.9	-57.5	-178.7	0	0	0	109.3	L29 V61 L62 L63 E64 T196 V234	L29-L198 HydrophobicContact CD2-CD2 3.83Å; V61-L198 HydrophobicContact CG2-CD1 3.85Å; V61-L198 HydrophobicContact CG2-CG 3.94Å; L62-L198 PolarHBondContact O-N 2.8Å; L63-L198 HydrophobicContact CD2-CB 3.97Å; L63-L198 HydrophobicContact CD2-CD1 3.84Å; L63-L198 HydrophobicContact CD2-CG 4.28Å; E64-L198 PolarHBondContact N-O 3.12Å; T196-L198 HydrophobicContact CG2-CD2 3.98Å; T196-L198 HydrophobicContact CG2-CG 4.23Å; L198-V234 HydrophobicContact CD1-CG2 3.92Å
199	T	98.2	Very high	96.4	Very high	57 Å²	57	41.6 Å²	41.6	35%	0.35	25%	0.245	S	C	.	.			trans	-87.6	170	171.7	50.2	0	0	0	0	111	E64 E66 V197 F201	E64-T199 HydrophobicContact CB-CG2 4.38Å; E64-T199 HydrophobicContact CG-CG2 4.5Å; E64-T199 CarbonylContact O-C 3.47Å; E64-T199 VanDerWaalsContact O-C 3.23Å; E64-T199 VanDerWaalsContact O-CA 3.29Å; E64-T199 WeakPolarHBondContact O-CA 3.44Å; E66-T199 VanDerWaalsContact O-CB 3.25Å; E66-T199 WeakPolarHBondContact O-CB 3.33Å; V197-T199 HydrophobicContact CG1-CG2 4.31Å; T199-F201 PolarHBondContact O-N 3.12Å; T199-F201 VanDerWaalsContact O-N 3.13Å
200	E	97.6	Very high	95.1	Very high	91 Å²	91	51 Å²	51	43%	0.425	29%	0.285	S	S	.	.	S	Bend	trans	57.6	22.2	-177	-55.3	-170.8	92.9	0	0	114.8	E64 K65 E66 K67 K230	E64-E200 PolarHBondContact O-N 3.31Å; K65-E200 WeakPolarHBondContact O-CA 3.24Å; E66-E200 PolarHBondContact O-N 3.24Å; K67-E200 HydrophobicContact CB-CG 4.41Å; K67-E200 VanDerWaalsContact CE-OE1 3.24Å; K67-E200 WeakPolarHBondContact CE-OE1 3.14Å; K67-E200 HydrophobicContact CG-CG 3.72Å; E200-K230 PolarHBondContact O-NZ 3.03Å; E200-K230 VanDerWaalsContact O-NZ 3.09Å
201	F	97.4	Very high	93.2	Very high	11 Å²	11	52.7 Å²	52.7	5%	0.048	29%	0.293	C	S	.	.			trans	-109.5	89.9	178.3	-164.5	-74.5	0	0	0	109.8	L63 E64 T199 V203 I226 D228 N232 V234	L63-F201 HydrophobicContact CB-CD1 4.09Å; L63-F201 HydrophobicContact CD1-CD1 3.94Å; L63-F201 HydrophobicContact CD1-CE1 3.81Å; L63-F201 HydrophobicContact CD2-CD1 4.17Å; L63-F201 HydrophobicContact CD2-CG 4.23Å; L63-F201 HydrophobicContact CG-CD1 4.28Å; E64-F201 CarbonylContact C-O 3.48Å; E64-F201 PolarHBondContact O-N 2.88Å; T199-F201 PolarHBondContact O-N 3.12Å; T199-F201 VanDerWaalsContact O-N 3.13Å; F201-V203 HydrophobicContact CD1-CG2 3.96Å; F201-V203 HydrophobicContact CE1-CG2 3.95Å; F201-V203 PolarHBondContact O-N 3.32Å; F201-I226 HydrophobicContact CE1-CG2 4.05Å; F201-D228 HydrophobicContact CD1-CB 4.29Å; F201-D228 HydrophobicContact CD2-CB 4.48Å; F201-D228 HydrophobicContact CE1-CB 4.17Å; F201-D228 HydrophobicContact CE2-CB 4.39Å; F201-D228 HydrophobicContact CG-CB 4.44Å; F201-D228 HydrophobicContact CZ-CB 4.23Å; F201-N232 HydrophobicContact CD2-CB 4.14Å; F201-N232 HydrophobicContact CE2-CB 3.63Å; F201-V234 HydrophobicContact CE2-CG2 3.88Å; F201-V234 HydrophobicContact CZ-CG2 4.06Å
202	E	97.4	Very high	91	Very high	85 Å²	85	54.1 Å²	54.1	40%	0.397	31%	0.31	S	S	.	.			trans	-82.4	101.6	174.7	-171.4	-165.2	163.5	0	0	109.8	K65 S204 D228 K229	K65-E202 HydrophobicContact CB-CB 3.82Å; K65-E202 HydrophobicContact CB-CG 4.07Å; K65-E202 HydrophobicContact CD-CG 4.45Å; E202-S204 PolarHBondContact O-N 2.87Å; E202-S204 VanDerWaalsContact O-N 3.12Å; E202-D228 VanDerWaalsContact O-CA 3.3Å; E202-D228 WeakPolarHBondContact O-CA 3.42Å; E202-D228 VanDerWaalsContact O-CB 3.25Å; E202-D228 WeakPolarHBondContact O-CB 3.45Å; E202-K229 IonicContact OE1-NZ 3.2Å; E202-K229 PolarHBondContact OE1-NZ 3.2Å; E202-K229 IonicContact OE2-NZ 3.31Å; E202-K229 PolarHBondContact OE2-NZ 3.22Å
203	V	97.3	Very high	88.6	Confident	15 Å²	15	53.2 Å²	53.2	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	119.2	174.3	178.3	0	0	0	0	110	V38 L63 F201 M206 I226 L250	V38-V203 HydrophobicContact CB-CG2 4.44Å; V38-V203 HydrophobicContact CG1-CB 4.09Å; V38-V203 HydrophobicContact CG1-CG2 3.61Å; V38-V203 HydrophobicContact CG2-CG2 3.95Å; L63-V203 HydrophobicContact CB-CG2 4.28Å; L63-V203 HydrophobicContact CD1-CG2 3.94Å; F201-V203 HydrophobicContact CD1-CG2 3.96Å; F201-V203 HydrophobicContact CE1-CG2 3.95Å; F201-V203 PolarHBondContact O-N 3.32Å; V203-M206 HydrophobicContact CG1-CE 4.44Å; V203-M206 HydrophobicContact CG1-CG 4.12Å; V203-M206 HydrophobicContact CG1-SD 4.48Å; V203-I226 HydrophobicContact CB-CG2 4.17Å; V203-I226 HydrophobicContact CG1-CG2 3.57Å; V203-I226 HydrophobicContact CG2-CG2 3.63Å; V203-L250 HydrophobicContact CB-CD2 4.29Å; V203-L250 HydrophobicContact CG1-CD2 4.21Å
204	S	95.3	Very high	86	Confident	45 Å²	45	56.4 Å²	56.4	32%	0.315	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-22.6	-179.3	63.2	0	0	0	0	113.7	E202 R227 D228 K229	E202-S204 PolarHBondContact O-N 2.87Å; E202-S204 VanDerWaalsContact O-N 3.12Å; S204-R227 PolarHBondContact N-O 3.43Å; S204-R227 PolarHBondContact OG-O 3.14Å; S204-D228 VanDerWaalsContact OG-C 3.24Å; S204-K229 PolarHBondContact OG-N 2.84Å
205	D	94.8	Very high	83.8	Confident	62 Å²	62	57.3 Å²	57.3	33%	0.332	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148	177.8	-176.3	63.5	0	0	0	110.9	S207 R227	D205-S207 PolarHBondContact OD2-OG 3.15Å; D205-R227 HydrophobicContact CB-CB 4.32Å; D205-R227 PolarHBondContact N-O 2.77Å; D205-R227 PolarHBondContact O-N 2.8Å
206	M	94.7	Very high	81.7	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.025	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.8	170.5	-69.2	179	-83.7	0	0	107.3	V203 A225 I226 V239 T241 I253 L412	V203-M206 HydrophobicContact CG1-CE 4.44Å; V203-M206 HydrophobicContact CG1-CG 4.12Å; V203-M206 HydrophobicContact CG1-SD 4.48Å; M206-A225 WeakPolarHBondContact CA-O 3.5Å; M206-I226 HydrophobicContact CG-CG1 4.26Å; M206-I226 HydrophobicContact CG-CG2 4.2Å; M206-V239 HydrophobicContact SD-CG1 4.07Å; M206-T241 HydrophobicContact CE-CG2 4.46Å; M206-I253 HydrophobicContact CB-CG2 3.82Å; M206-I253 HydrophobicContact CE-CB 3.83Å; M206-I253 HydrophobicContact CE-CD1 4.11Å; M206-I253 HydrophobicContact CE-CG2 3.9Å; M206-I253 HydrophobicContact CG-CG2 4.27Å; M206-I253 VanDerWaalsContact N-CG2 3.27Å; M206-L412 HydrophobicContact CB-CD2 4.22Å; M206-L412 WeakPolarHBondContact O-CD2 3.47Å
207	S	92.5	Very high	79.4	Confident	34 Å²	34	65 Å²	65	24%	0.238	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.6	-175.7	44	0	0	0	0	111.7	D205 A225	D205-S207 PolarHBondContact OD2-OG 3.15Å; S207-A225 PolarHBondContact N-O 3.13Å; S207-A225 PolarHBondContact O-N 2.83Å
208	V	90.5	Very high	77.2	Confident	66 Å²	66	70.2 Å²	70.2	40%	0.4	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.5	172.4	179.7	0	0	0	0	108.5	P223 D411 L412	V208-P223 CarbonylContact C-O 3.59Å; V208-P223 VanDerWaalsContact CA-O 3.29Å; V208-P223 WeakPolarHBondContact CA-O 3.32Å; V208-P223 HydrophobicContact CG1-CB 4.36Å; V208-D411 HydrophobicContact CG2-CB 4.24Å; V208-L412 HydrophobicContact CG2-CB 3.97Å; V208-L412 HydrophobicContact CG2-CD1 4.34Å
209	V	86.3	Confident	75	Confident	26 Å²	26	70.6 Å²	70.6	16%	0.158	44%	0.441	C	S	.	.			trans	-112.3	144	177.4	-66	0	0	0	0	110.4	E211 P223 A225	V209-E211 PolarHBondContact O-N 3.35Å; V209-P223 PolarHBondContact N-O 3.09Å; V209-A225 HydrophobicContact CB-CB 4.48Å; V209-A225 HydrophobicContact CG1-CB 3.61Å; V209-A225 HydrophobicContact CG2-CB 3.99Å
210	K	70.9	Confident	73.3	Confident	203 Å²	203	72.3 Å²	72.3	88%	0.883	45%	0.448	S	S	*	.			trans	-78.7	117.9	170.6	-67.5	-175.5	179.7	-178.9	0	108.5
211	E	59.9	Low	72.4	Confident	36 Å²	36	73.4 Å²	73.4	17%	0.168	45%	0.451	C	S	.	.			trans	-81.9	114.2	170.6	-63.3	-163	124.8	0	0	109.2	V209 L220 K221 H222 R235	V209-E211 PolarHBondContact O-N 3.35Å; E211-L220 HydrophobicContact CB-CD2 4.4Å; E211-K221 PolarHBondContact OE2-N 2.96Å; E211-K221 VanDerWaalsContact OE2-N 3.13Å; E211-H222 PolarHBondContact OE2-N 3.47Å; E211-R235 IonicContact OE1-NH1 2.77Å
212	S	52.5	Low	72	Confident	88 Å²	88	73.5 Å²	73.5	62%	0.615	45%	0.452	S	S	*	.	S	Bend	trans	63.4	162.9	168.9	-60.4	0	0	0	0	116.9
213	P	46.9	Very low	71.7	Confident	110 Å²	110	69.6 Å²	69.6	71%	0.714	43%	0.434	S	S	*	.	S	Bend	trans	-61.6	156.5	178.8	-18.9	31.3	0	0	0	112.3	G215	P213-G215 PolarHBondContact O-N 3.21Å; P213-G215 VanDerWaalsContact O-N 3.11Å
214	A	44.6	Very low	71.5	Confident	114 Å²	114	68.9 Å²	68.9	94%	0.942	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	117.9	173.6	0	0	0	0	0	110.6
215	G	51	Low	71.4	Confident	78 Å²	78	66.7 Å²	66.7	80%	0.804	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	125	0.1	177.9	0	0	0	0	0	116.9	P213	P213-G215 PolarHBondContact O-N 3.21Å; P213-G215 VanDerWaalsContact O-N 3.11Å
216	S	53.3	Low	71.4	Confident	53 Å²	53	63.8 Å²	63.8	37%	0.371	40%	0.399	S	S	.	.			trans	-66.5	129	171.1	178.7	0	0	0	0	111.2	D218	S216-D218 PolarHBondContact O-N 3.12Å; S216-D218 PolarHBondContact OG-N 3.12Å
217	P	50.5	Low	71.5	Confident	129 Å²	129	67.3 Å²	67.3	84%	0.838	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.9	177.1	25	-31.6	0	0	0	113.8
218	D	51.1	Low	71.6	Confident	128 Å²	128	66.1 Å²	66.1	68%	0.684	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.5	-175.3	-70.9	-37	0	0	0	115.1	S216	S216-D218 PolarHBondContact O-N 3.12Å; S216-D218 PolarHBondContact OG-N 3.12Å
219	G	53	Low	71.7	Confident	46 Å²	46	70 Å²	70	47%	0.474	41%	0.414	S	S	.	.			trans	56.8	-171.4	-177.7	0	0	0	0	0	114.3	K221	G219-K221 VanDerWaalsContact C-N 3.25Å; G219-K221 PolarHBondContact O-N 3.09Å
220	L	61.4	Low	72	Confident	94 Å²	94	75.6 Å²	75.6	49%	0.492	44%	0.437	S	S	.	.	S	Bend	trans	-73.6	75.7	172.8	-75.4	157.4	0	0	0	109.3	E211 P223	E211-L220 HydrophobicContact CB-CD2 4.4Å; L220-P223 HydrophobicContact CB-CB 4.18Å; L220-P223 HydrophobicContact CD2-CB 4.04Å
221	K	79	Confident	72.8	Confident	113 Å²	113	68.7 Å²	68.7	49%	0.491	42%	0.423	S	S	.	.	S	Bend	trans	-66.8	-43.5	-178	-164	173.4	178.5	177.7	0	109.9	E211 G219 R237	E211-K221 PolarHBondContact OE2-N 2.96Å; E211-K221 VanDerWaalsContact OE2-N 3.13Å; G219-K221 VanDerWaalsContact C-N 3.25Å; G219-K221 PolarHBondContact O-N 3.09Å; K221-R237 VanDerWaalsContact O-CD 3.31Å; K221-R237 WeakPolarHBondContact O-CD 3.5Å; K221-R237 WeakPolarHBondContact O-CG 3.44Å; K221-R237 PolarHBondContact O-NE 2.99Å
222	H	88.1	Confident	74.4	Confident	14 Å²	14	70.9 Å²	70.9	7%	0.065	44%	0.436	C	S	.	.	S	Bend	trans	-129.8	68.9	-177.1	-51.9	98.1	0	0	0	112.7	T32 Y33 E211 I224 R235 C236 R237	T32-H222 HydrophobicContact CG2-CB 4.4Å; Y33-H222 PolarHBondContact O-CD2 3.36Å; E211-H222 PolarHBondContact OE2-N 3.47Å; H222-I224 PolarHBondContact O-N 3.15Å; H222-I224 VanDerWaalsContact O-N 3.14Å; H222-R235 HydrophobicContact CB-CB 4.24Å; H222-C236 CarbonylContact C-O 3.58Å; H222-C236 WeakPolarHBondContact CA-O 3.5Å; H222-R237 WeakPolarHBondContact CD2-CG 3.19Å
223	P	91.2	Very high	76.4	Confident	2 Å²	2	70 Å²	70	1%	0.013	42%	0.422	C	S	.	.			trans	-71	-8.1	-169.3	27.5	-35.6	0	0	0	115.6	V208 V209 L220	V208-P223 CarbonylContact C-O 3.59Å; V208-P223 VanDerWaalsContact CA-O 3.29Å; V208-P223 WeakPolarHBondContact CA-O 3.32Å; V208-P223 HydrophobicContact CG1-CB 4.36Å; V209-P223 PolarHBondContact N-O 3.09Å; L220-P223 HydrophobicContact CB-CB 4.18Å; L220-P223 HydrophobicContact CD2-CB 4.04Å
224	I	93.4	Very high	78.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.9	-176.4	-54.1	175.5	0	0	0	109.5	H222 I226 R235 C236 R237 V239 L412 R415	H222-I224 PolarHBondContact O-N 3.15Å; H222-I224 VanDerWaalsContact O-N 3.14Å; I224-I226 HydrophobicContact CG2-CG1 4.16Å; I224-R235 CarbonylContact O-C 3.23Å; I224-R235 VanDerWaalsContact O-CA 3.23Å; I224-R235 WeakPolarHBondContact O-CA 3.29Å; I224-C236 WeakPolarHBondContact CB-O 3.44Å; I224-C236 PolarHBondContact N-O 2.74Å; I224-C236 PolarHBondContact O-N 3.28Å; I224-R237 WeakPolarHBondContact CD1-O 3.26Å; I224-V239 HydrophobicContact CD1-CG2 3.79Å; I224-V239 HydrophobicContact CG2-CG2 3.95Å; I224-L412 HydrophobicContact CD1-CD1 4.33Å; I224-L412 HydrophobicContact CG1-CD1 4.3Å; I224-L412 HydrophobicContact CG2-CD1 4.11Å; I224-R415 HydrophobicContact CD1-CB 3.56Å; I224-R415 HydrophobicContact CD1-CG 4.49Å; I224-R415 HydrophobicContact CG1-CB 4.44Å
225	A	93.7	Very high	81	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.5	164.8	0	0	0	0	0	109.8	M206 S207 V209 E233	M206-A225 WeakPolarHBondContact CA-O 3.5Å; S207-A225 PolarHBondContact N-O 3.13Å; S207-A225 PolarHBondContact O-N 2.83Å; V209-A225 HydrophobicContact CB-CB 4.48Å; V209-A225 HydrophobicContact CG1-CB 3.61Å; V209-A225 HydrophobicContact CG2-CB 3.99Å; A225-E233 HydrophobicContact CB-CG 4.16Å
226	I	95.7	Very high	83.1	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.1	170.7	-50.6	-178	0	0	0	107.8	A36 L63 F201 V203 M206 I224 E233 V234 V239	A36-I226 HydrophobicContact CB-CD1 3.52Å; L63-I226 HydrophobicContact CD1-CB 4.32Å; L63-I226 HydrophobicContact CD1-CD1 3.95Å; L63-I226 HydrophobicContact CD1-CG2 3.85Å; F201-I226 HydrophobicContact CE1-CG2 4.05Å; V203-I226 HydrophobicContact CB-CG2 4.17Å; V203-I226 HydrophobicContact CG1-CG2 3.57Å; V203-I226 HydrophobicContact CG2-CG2 3.63Å; M206-I226 HydrophobicContact CG-CG1 4.26Å; M206-I226 HydrophobicContact CG-CG2 4.2Å; I224-I226 HydrophobicContact CG2-CG1 4.16Å; I226-E233 WeakPolarHBondContact O-CA 3.47Å; I226-V234 PolarHBondContact N-O 2.8Å; I226-V234 PolarHBondContact O-N 3.24Å; I226-V239 HydrophobicContact CD1-CG1 4.03Å; I226-V239 HydrophobicContact CD1-CG2 3.78Å; I226-V239 HydrophobicContact CG1-CG2 4.33Å
227	R	95.6	Very high	85.1	Confident	79 Å²	79	61 Å²	61	30%	0.298	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.3	-175.5	-56.3	174.5	-175.3	-75.3	-10.9	112.8	S204 D205 N232 E233	S204-R227 PolarHBondContact N-O 3.43Å; S204-R227 PolarHBondContact OG-O 3.14Å; D205-R227 HydrophobicContact CB-CB 4.32Å; D205-R227 PolarHBondContact N-O 2.77Å; D205-R227 PolarHBondContact O-N 2.8Å; R227-N232 WeakPolarHBondContact CA-O 3.28Å; R227-E233 HydrophobicContact CG-CG 4.48Å; R227-E233 IonicContact CZ-OE2 2.97Å; R227-E233 IonicContact NH1-OE2 2.63Å; R227-E233 PolarHBondContact NH1-OE2 2.96Å; R227-E233 IonicContact NH2-OE2 2.68Å; R227-E233 PolarHBondContact NH2-OE2 3.23Å
228	D	94.9	Very high	87.3	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	173.1	165.5	80.2	3.6	0	0	0	111.8	F201 E202 S204 K230 G231 N232	F201-D228 HydrophobicContact CD1-CB 4.29Å; F201-D228 HydrophobicContact CD2-CB 4.48Å; F201-D228 HydrophobicContact CE1-CB 4.17Å; F201-D228 HydrophobicContact CE2-CB 4.39Å; F201-D228 HydrophobicContact CG-CB 4.44Å; F201-D228 HydrophobicContact CZ-CB 4.23Å; E202-D228 VanDerWaalsContact O-CA 3.3Å; E202-D228 WeakPolarHBondContact O-CA 3.42Å; E202-D228 VanDerWaalsContact O-CB 3.25Å; E202-D228 WeakPolarHBondContact O-CB 3.45Å; S204-D228 VanDerWaalsContact OG-C 3.24Å; D228-K230 PolarHBondContact O-N 3.29Å; D228-K230 WeakPolarHBondContact OD1-CA 3.39Å; D228-K230 WeakPolarHBondContact OD1-CB 3.33Å; D228-K230 PolarHBondContact OD1-N 2.86Å; D228-G231 PolarHBondContact O-N 2.81Å; D228-G231 PolarHBondContact OD1-N 2.92Å; D228-N232 PolarHBondContact N-O 3.48Å; D228-N232 WeakPolarHBondContact OD1-CB 3.47Å; D228-N232 PolarHBondContact OD1-N 3.22Å; D228-N232 PolarHBondContact OD2-ND2 2.87Å
229	K	92.5	Very high	89.5	Confident	147 Å²	147	50.4 Å²	50.4	64%	0.639	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.5	178.3	-64.5	177.5	-171.9	135.6	0	113.8	E202 S204 G231	E202-K229 IonicContact OE1-NZ 3.2Å; E202-K229 PolarHBondContact OE1-NZ 3.2Å; E202-K229 IonicContact OE2-NZ 3.31Å; E202-K229 PolarHBondContact OE2-NZ 3.22Å; S204-K229 PolarHBondContact OG-N 2.84Å; K229-G231 VanDerWaalsContact C-N 3.29Å
230	K	92.4	Very high	91.7	Very high	144 Å²	144	48.2 Å²	48.2	63%	0.626	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-6	179.1	-58.5	170.7	-175.3	163.7	0	111.4	E200 D228	E200-K230 PolarHBondContact O-NZ 3.03Å; E200-K230 VanDerWaalsContact O-NZ 3.09Å; D228-K230 PolarHBondContact O-N 3.29Å; D228-K230 WeakPolarHBondContact OD1-CA 3.39Å; D228-K230 WeakPolarHBondContact OD1-CB 3.33Å; D228-K230 PolarHBondContact OD1-N 2.86Å
231	G	88.8	Confident	93.5	Very high	59 Å²	59	43.7 Å²	43.7	61%	0.608	21%	0.206	S	C	*	.	S	Bend	trans	90.3	8.1	-178.9	0	0	0	0	0	113.8	D228 K229	D228-G231 PolarHBondContact O-N 2.81Å; D228-G231 PolarHBondContact OD1-N 2.92Å; K229-G231 VanDerWaalsContact C-N 3.29Å
232	N	93.3	Very high	94.3	Very high	81 Å²	81	38.9 Å²	38.9	43%	0.433	19%	0.187	S	C	.	.			trans	-70.5	142	172.6	-59	-53.7	0	0	0	109.7	F201 R227 D228	F201-N232 HydrophobicContact CD2-CB 4.14Å; F201-N232 HydrophobicContact CE2-CB 3.63Å; R227-N232 WeakPolarHBondContact CA-O 3.28Å; D228-N232 PolarHBondContact N-O 3.48Å; D228-N232 WeakPolarHBondContact OD1-CB 3.47Å; D228-N232 PolarHBondContact OD1-N 3.22Å; D228-N232 PolarHBondContact OD2-ND2 2.87Å
233	E	93.9	Very high	94.7	Very high	70 Å²	70	39 Å²	39	33%	0.327	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.8	-178.7	-177.5	-176.8	131.3	0	0	110.2	A225 I226 R227 R235	A225-E233 HydrophobicContact CB-CG 4.16Å; I226-E233 WeakPolarHBondContact O-CA 3.47Å; R227-E233 HydrophobicContact CG-CG 4.48Å; R227-E233 IonicContact CZ-OE2 2.97Å; R227-E233 IonicContact NH1-OE2 2.63Å; R227-E233 PolarHBondContact NH1-OE2 2.96Å; R227-E233 IonicContact NH2-OE2 2.68Å; R227-E233 PolarHBondContact NH2-OE2 3.23Å; E233-R235 WeakPolarHBondContact OE1-CG 3.45Å; E233-R235 IonicContact OE1-CZ 3.77Å; E233-R235 IonicContact OE1-NE 3.45Å; E233-R235 PolarHBondContact OE1-NE 2.88Å; E233-R235 IonicContact OE1-NH2 3.73Å; E233-R235 PolarHBondContact OE1-NH2 2.65Å
234	V	94.4	Very high	94.9	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.1	169.4	172.9	0	0	0	0	108.2	Y33 V61 L63 L198 F201 I226	Y33-V234 HydrophobicContact CD2-CG1 3.78Å; Y33-V234 HydrophobicContact CE2-CG1 4.06Å; V61-V234 HydrophobicContact CG1-CG1 3.85Å; L63-V234 HydrophobicContact CD2-CG2 4.14Å; L198-V234 HydrophobicContact CD1-CG2 3.92Å; F201-V234 HydrophobicContact CE2-CG2 3.88Å; F201-V234 HydrophobicContact CZ-CG2 4.06Å; I226-V234 PolarHBondContact N-O 2.8Å; I226-V234 PolarHBondContact O-N 3.24Å
235	R	94.4	Very high	95	Very high	83 Å²	83	40.3 Å²	40.3	31%	0.313	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.1	176.9	-70.4	-170.7	-174.6	-174.8	3	112.1	T32 Y33 E211 H222 I224 E233	T32-R235 CarbonylContact C-O 3.12Å; T32-R235 WeakPolarHBondContact CA-O 3.23Å; T32-R235 HydrophobicContact CG2-CB 4Å; Y33-R235 PolarHBondContact N-O 2.8Å; E211-R235 IonicContact OE1-NH1 2.77Å; H222-R235 HydrophobicContact CB-CB 4.24Å; I224-R235 CarbonylContact O-C 3.23Å; I224-R235 VanDerWaalsContact O-CA 3.23Å; I224-R235 WeakPolarHBondContact O-CA 3.29Å; E233-R235 WeakPolarHBondContact OE1-CG 3.45Å; E233-R235 IonicContact OE1-CZ 3.77Å; E233-R235 IonicContact OE1-NE 3.45Å; E233-R235 PolarHBondContact OE1-NE 2.88Å; E233-R235 IonicContact OE1-NH2 3.73Å; E233-R235 PolarHBondContact OE1-NH2 2.65Å
236	C	94.9	Very high	95.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	172.3	177	61.3	0	0	0	0	115.4	Y33 A36 H222 I224	Y33-C236 CarbonylContact O-C 3.53Å; Y33-C236 WeakPolarHBondContact O-CA 3.04Å; Y33-C236 WeakPolarHBondContact O-CB 3.35Å; A36-C236 HydrophobicContact CB-CB 4.08Å; H222-C236 CarbonylContact C-O 3.58Å; H222-C236 WeakPolarHBondContact CA-O 3.5Å; I224-C236 WeakPolarHBondContact CB-O 3.44Å; I224-C236 PolarHBondContact N-O 2.74Å; I224-C236 PolarHBondContact O-N 3.28Å
237	R	94.7	Very high	95	Very high	75 Å²	75	42.7 Å²	42.7	28%	0.283	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-41.2	176.9	-39.6	-176.2	62.3	-156.4	-5.5	111.7	Y33 D34 K221 H222 I224	Y33-R237 PolarHBondContact O-N 2.85Å; D34-R237 VanDerWaalsContact O-CB 3.26Å; D34-R237 WeakPolarHBondContact O-CB 3.48Å; D34-R237 PolarHBondContact O-N 2.87Å; D34-R237 WeakPolarHBondContact OD1-CD 3.38Å; D34-R237 IonicContact OD1-NE 3.98Å; D34-R237 IonicContact OD1-NH1 3.39Å; D34-R237 PolarHBondContact OD1-NH1 3.03Å; K221-R237 VanDerWaalsContact O-CD 3.31Å; K221-R237 WeakPolarHBondContact O-CD 3.5Å; K221-R237 WeakPolarHBondContact O-CG 3.44Å; K221-R237 PolarHBondContact O-NE 2.99Å; H222-R237 WeakPolarHBondContact CD2-CG 3.19Å; I224-R237 WeakPolarHBondContact CD1-O 3.26Å
238	Y	96.9	Very high	95	Very high	33 Å²	33	39 Å²	39	13%	0.129	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.8	-175.8	-55.4	-64	0	0	0	111.7	D34 V35 A36 R415 F445 L447	D34-Y238 PolarHBondContact O-N 3.1Å; V35-Y238 WeakPolarHBondContact CA-O 3.46Å; V35-Y238 HydrophobicContact CG2-CD2 4.5Å; A36-Y238 PolarHBondContact N-O 3.46Å; Y238-R415 CarbonylContact C-O 3.55Å; Y238-R415 VanDerWaalsContact CA-O 3.29Å; Y238-R415 WeakPolarHBondContact CA-O 3.33Å; Y238-R415 HydrophobicContact CD1-CB 3.99Å; Y238-R415 HydrophobicContact CD1-CG 4.37Å; Y238-R415 HydrophobicContact CE1-CB 4.48Å; Y238-R415 HydrophobicContact CE1-CG 4.38Å; Y238-F445 HydrophobicContact CD1-CB 3.87Å; Y238-F445 AromaticContact CD1-CD1 3.52Å; Y238-F445 HydrophobicContact CD1-CD1 3.52Å; Y238-F445 AromaticContact CD1-CD2 3.86Å; Y238-F445 HydrophobicContact CD1-CD2 3.86Å; Y238-F445 AromaticContact CD1-CE1 3.99Å; Y238-F445 HydrophobicContact CD1-CE1 3.99Å; Y238-F445 HydrophobicContact CD1-CE2 4.3Å; Y238-F445 AromaticContact CD1-CG 3.46Å; Y238-F445 HydrophobicContact CD1-CG 3.46Å; Y238-F445 VanDerWaalsContact CD1-CG 3.46Å; Y238-F445 HydrophobicContact CD1-CZ 4.36Å; Y238-F445 HydrophobicContact CD2-CB 4.13Å; Y238-F445 HydrophobicContact CD2-CD2 4.24Å; Y238-F445 HydrophobicContact CD2-CG 4.26Å; Y238-F445 HydrophobicContact CE1-CB 3.78Å; Y238-F445 AromaticContact CE1-CD1 3.86Å; Y238-F445 HydrophobicContact CE1-CD1 3.86Å; Y238-F445 AromaticContact CE1-CG 3.84Å; Y238-F445 HydrophobicContact CE1-CG 3.84Å; Y238-F445 HydrophobicContact CE2-CB 4Å; Y238-F445 HydrophobicContact CG-CB 4.05Å; Y238-F445 HydrophobicContact CG-CD1 4.2Å; Y238-F445 AromaticContact CG-CD2 3.65Å; Y238-F445 HydrophobicContact CG-CD2 3.65Å; Y238-F445 HydrophobicContact CG-CE2 4.14Å; Y238-F445 AromaticContact CG-CG 3.71Å; Y238-F445 HydrophobicContact CG-CG 3.71Å; Y238-F445 PolarHBondContact OH-O 3.35Å; Y238-L447 HydrophobicContact CD2-CD2 3.87Å; Y238-L447 HydrophobicContact CE2-CD2 3.57Å
239	V	98	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.9	177.6	-168.6	0	0	0	0	110.7	A36 V38 M206 I224 I226 T241 R415 V416 L417	A36-V239 CarbonylContact O-C 3.51Å; A36-V239 VanDerWaalsContact O-CA 3.31Å; A36-V239 WeakPolarHBondContact O-CA 3.5Å; V38-V239 HydrophobicContact CG2-CG1 3.84Å; M206-V239 HydrophobicContact SD-CG1 4.07Å; I224-V239 HydrophobicContact CD1-CG2 3.79Å; I224-V239 HydrophobicContact CG2-CG2 3.95Å; I226-V239 HydrophobicContact CD1-CG1 4.03Å; I226-V239 HydrophobicContact CD1-CG2 3.78Å; I226-V239 HydrophobicContact CG1-CG2 4.33Å; V239-T241 HydrophobicContact CG1-CG2 3.97Å; V239-R415 PolarHBondContact N-O 2.98Å; V239-V416 HydrophobicContact CB-CB 4.46Å; V239-V416 HydrophobicContact CB-CG1 4.12Å; V239-V416 HydrophobicContact CB-CG2 4.01Å; V239-V416 HydrophobicContact CG2-CG2 4.18Å; V239-V416 CarbonylContact O-C 3.58Å; V239-V416 WeakPolarHBondContact O-CA 3.05Å; V239-L417 PolarHBondContact O-N 3.18Å
240	L	98.5	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.3	165.9	170.6	64.9	0	0	0	108.8	A36 V37 V38 L51 L417 V419 I437 V441	A36-L240 PolarHBondContact O-N 3.42Å; V37-L240 CarbonylContact C-O 3.59Å; V37-L240 VanDerWaalsContact CA-O 3.27Å; V37-L240 WeakPolarHBondContact CA-O 3.5Å; V37-L240 HydrophobicContact CG1-CD2 4.33Å; V37-L240 HydrophobicContact CG1-CG 4.5Å; V37-L240 HydrophobicContact CG2-CB 4.41Å; V37-L240 HydrophobicContact CG2-CD2 4.38Å; V38-L240 PolarHBondContact N-O 2.87Å; L51-L240 HydrophobicContact CD1-CD2 3.86Å; L240-L417 CarbonylContact C-O 3.09Å; L240-L417 WeakPolarHBondContact CA-O 3.35Å; L240-L417 HydrophobicContact CD1-CB 4.27Å; L240-L417 HydrophobicContact CD1-CD2 4.03Å; L240-L417 HydrophobicContact CD1-CG 4.23Å; L240-V419 HydrophobicContact CD1-CG2 3.87Å; L240-I437 HydrophobicContact CD1-CG2 3.73Å; L240-I437 HydrophobicContact CD2-CG2 3.67Å; L240-I437 HydrophobicContact CG-CG2 4.37Å; L240-V441 HydrophobicContact CD1-CG2 4.17Å; L240-V441 HydrophobicContact CD2-CG2 4.37Å
241	T	98.2	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.4	175.5	83.7	0	0	0	0	112	V38 M206 V239 V416 L417 H418 V419	V38-T241 HydrophobicContact CB-CG2 4.14Å; V38-T241 HydrophobicContact CG2-CG2 4.28Å; M206-T241 HydrophobicContact CE-CG2 4.46Å; V239-T241 HydrophobicContact CG1-CG2 3.97Å; T241-V416 HydrophobicContact CG2-CG1 4.36Å; T241-L417 PolarHBondContact N-O 3.08Å; T241-H418 WeakPolarHBondContact CG2-ND1 3.37Å; T241-H418 WeakPolarHBondContact OG1-CA 3.27Å; T241-H418 PolarHBondContact OG1-ND1 3.39Å; T241-V419 WeakPolarHBondContact O-CB 3.21Å; T241-V419 PolarHBondContact O-N 2.86Å
242	C	97.6	Very high	95.4	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.081	14%	0.14	C	C	.	.			trans	-123.9	51.7	174.7	-66.4	0	0	0	0	110.3	V38 V43 G244	V38-C242 CarbonylContact O-C 3.52Å; V38-C242 PolarHBondContact O-N 2.75Å; V43-C242 HydrophobicContact CG1-CB 4.36Å; C242-G244 PolarHBondContact O-N 2.85Å; C242-G244 VanDerWaalsContact O-N 3.1Å
243	G	95.9	Very high	95.2	Very high	17 Å²	17	27.4 Å²	27.4	18%	0.175	13%	0.131	C	C	.	.			trans	-73.3	2.6	-167.3	0	0	0	0	0	117.4	L245 Y246	G243-L245 PolarHBondContact O-N 3.02Å; G243-Y246 PolarHBondContact O-N 3.02Å
244	G	94.8	Very high	94.8	Very high	25 Å²	25	24.4 Å²	24.4	26%	0.258	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	49.4	-114.8	178.3	0	0	0	0	0	112.8	C242 Y246 S247	C242-G244 PolarHBondContact O-N 2.85Å; C242-G244 VanDerWaalsContact O-N 3.1Å; G244-Y246 PolarHBondContact O-N 3.26Å; G244-S247 WeakPolarHBondContact O-CB 3.38Å; G244-S247 PolarHBondContact O-N 2.74Å; G244-S247 VanDerWaalsContact O-N 3.09Å; G244-S247 PolarHBondContact O-OG 2.77Å
245	L	94.8	Very high	94.3	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-56.6	-13.2	175.8	-75.1	163.4	0	0	0	115.4	Q73 G243 P264 R319 E320 V388 A390	Q73-L245 HydrophobicContact CG-CD1 4.2Å; Q73-L245 HydrophobicContact CG-CG 4.32Å; G243-L245 PolarHBondContact O-N 3.02Å; L245-P264 HydrophobicContact CD2-CB 4.2Å; L245-R319 HydrophobicContact CB-CB 4.45Å; L245-R319 WeakPolarHBondContact CD1-O 3.19Å; L245-R319 WeakPolarHBondContact CD2-O 3.07Å; L245-R319 WeakPolarHBondContact O-CD 3.5Å; L245-R319 PolarHBondContact O-NH1 3.06Å; L245-E320 HydrophobicContact CD1-CG 4.23Å; L245-V388 HydrophobicContact CD1-CB 4.41Å; L245-V388 HydrophobicContact CD1-CG1 4.48Å; L245-V388 HydrophobicContact CD2-CG1 3.89Å; L245-A390 HydrophobicContact CD2-CB 3.73Å; L245-A390 HydrophobicContact CG-CB 4.07Å
246	Y	95.8	Very high	94.1	Very high	47 Å²	47	22.6 Å²	22.6	18%	0.184	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-120.1	9.7	179.6	-66.8	-97.3	0	0	0	113	G243 G244 D248 R249 L250 R319 E320	G243-Y246 PolarHBondContact O-N 3.02Å; G244-Y246 PolarHBondContact O-N 3.26Å; Y246-D248 VanDerWaalsContact C-N 3.33Å; Y246-D248 PolarHBondContact O-N 2.77Å; Y246-R249 PolarHBondContact O-N 3.42Å; Y246-L250 PolarHBondContact O-N 2.79Å; Y246-R319 HydrophobicContact CE2-CB 4.26Å; Y246-E320 HydrophobicContact CE2-CG 3.96Å; Y246-E320 WeakPolarHBondContact CE2-OE1 3.49Å; Y246-E320 VanDerWaalsContact OH-CD 3.29Å; Y246-E320 PolarHBondContact OH-OE2 3.03Å
247	S	95.3	Very high	93.8	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-38	-173.7	54.4	0	0	0	0	114.1	G244 S251 I262 R420	G244-S247 WeakPolarHBondContact O-CB 3.38Å; G244-S247 PolarHBondContact O-N 2.74Å; G244-S247 VanDerWaalsContact O-N 3.09Å; G244-S247 PolarHBondContact O-OG 2.77Å; S247-S251 WeakPolarHBondContact O-CB 3.43Å; S247-S251 PolarHBondContact O-N 2.98Å; S247-S251 PolarHBondContact O-OG 2.84Å; S247-I262 WeakPolarHBondContact OG-CG1 3.44Å; S247-R420 PolarHBondContact OG-O 2.99Å
248	D	94.6	Very high	93.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-69.9	-28.6	173.7	61.6	-18.7	0	0	0	114	Y246 S251 Q252 I262 R319	Y246-D248 VanDerWaalsContact C-N 3.33Å; Y246-D248 PolarHBondContact O-N 2.77Å; D248-S251 WeakPolarHBondContact CA-OG 3.36Å; D248-S251 PolarHBondContact O-OG 3.05Å; D248-Q252 WeakPolarHBondContact O-CG 3.24Å; D248-Q252 PolarHBondContact O-N 2.66Å; D248-Q252 PolarHBondContact O-NE2 3.29Å; D248-I262 HydrophobicContact CB-CG1 4.03Å; D248-I262 PolarHBondContact OD2-N 3.49Å; D248-R319 IonicContact OD1-CZ 3.14Å; D248-R319 IonicContact OD1-NH1 3.44Å; D248-R319 PolarHBondContact OD1-NH1 3.45Å; D248-R319 IonicContact OD1-NH2 3.64Å; D248-R319 PolarHBondContact OD1-NH2 3.16Å; D248-R319 IonicContact OD2-CZ 2.56Å; D248-R319 IonicContact OD2-NH1 3.04Å; D248-R319 PolarHBondContact OD2-NH1 3.33Å; D248-R319 IonicContact OD2-NH2 3.13Å; D248-R319 PolarHBondContact OD2-NH2 2.74Å
249	R	94.3	Very high	93.1	Very high	46 Å²	46	24.2 Å²	24.2	17%	0.174	15%	0.148	C	C	.	.	H	α-helix	trans	-76.6	-43.5	174.7	-71.6	-176.3	172.3	168.3	2.3	110.9	Y246 S251 Q252 I253 D331	Y246-R249 PolarHBondContact O-N 3.42Å; R249-S251 VanDerWaalsContact C-N 3.3Å; R249-S251 PolarHBondContact O-N 3.26Å; R249-Q252 PolarHBondContact O-N 3.27Å; R249-I253 PolarHBondContact O-N 3.45Å; R249-D331 IonicContact CZ-OD1 3.86Å; R249-D331 IonicContact NH1-OD1 3.51Å; R249-D331 PolarHBondContact NH1-OD1 2.94Å; R249-D331 IonicContact NH2-OD1 2.78Å; R249-D331 PolarHBondContact NH2-OD1 3.39Å
250	L	94.6	Very high	92.8	Very high	16 Å²	16	24.9 Å²	24.9	8%	0.084	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-40.1	175.4	-71.9	177.3	0	0	0	111.6	V38 V203 Y246 Q252 I253 H418	V38-L250 HydrophobicContact CG1-CD1 3.91Å; V38-L250 HydrophobicContact CG1-CD2 4.43Å; V203-L250 HydrophobicContact CB-CD2 4.29Å; V203-L250 HydrophobicContact CG1-CD2 4.21Å; Y246-L250 PolarHBondContact O-N 2.79Å; L250-Q252 VanDerWaalsContact C-N 3.29Å; L250-Q252 PolarHBondContact O-N 2.87Å; L250-I253 HydrophobicContact CD2-CD1 4.01Å; L250-I253 WeakPolarHBondContact O-CB 3.41Å; L250-I253 PolarHBondContact O-N 3.47Å; L250-H418 PolarHBondContact O-CE1 2.91Å
251	S	94.4	Very high	92.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-32.4	177.4	68.4	0	0	0	0	112.8	S247 D248 R249 I253 S254 C256 R420	S247-S251 WeakPolarHBondContact O-CB 3.43Å; S247-S251 PolarHBondContact O-N 2.98Å; S247-S251 PolarHBondContact O-OG 2.84Å; D248-S251 WeakPolarHBondContact CA-OG 3.36Å; D248-S251 PolarHBondContact O-OG 3.05Å; R249-S251 VanDerWaalsContact C-N 3.3Å; R249-S251 PolarHBondContact O-N 3.26Å; S251-I253 VanDerWaalsContact C-N 3.26Å; S251-I253 PolarHBondContact O-N 2.96Å; S251-S254 PolarHBondContact O-N 3.33Å; S251-S254 PolarHBondContact O-OG 2.91Å; S251-C256 WeakPolarHBondContact O-CB 3.39Å; S251-C256 PolarHBondContact O-N 3.48Å; S251-C256 PolarHBondContact O-SG 3.48Å; S251-R420 PolarHBondContact OG-NE 3.45Å; S251-R420 PolarHBondContact OG-NH2 2.97Å
252	Q	93.1	Very high	92.3	Very high	84 Å²	84	27.6 Å²	27.6	39%	0.393	16%	0.162	S	C	.	.	H	α-helix	trans	-68.5	-25	176.8	-77.7	170.9	72.3	0	0	113.1	D248 R249 L250 S254 G255	D248-Q252 WeakPolarHBondContact O-CG 3.24Å; D248-Q252 PolarHBondContact O-N 2.66Å; D248-Q252 PolarHBondContact O-NE2 3.29Å; R249-Q252 PolarHBondContact O-N 3.27Å; L250-Q252 VanDerWaalsContact C-N 3.29Å; L250-Q252 PolarHBondContact O-N 2.87Å; Q252-S254 VanDerWaalsContact C-N 3.25Å; Q252-S254 PolarHBondContact O-N 2.78Å; Q252-G255 PolarHBondContact O-N 3.31Å; Q252-G255 VanDerWaalsContact O-N 3.1Å
253	I	90.1	Very high	92	Very high	50 Å²	50	27.2 Å²	27.2	26%	0.256	16%	0.16	S	C	.	.	H	α-helix	trans	-61.7	-37.1	175.6	-59.7	173	0	0	0	110.4	M206 R249 L250 S251 G255	M206-I253 HydrophobicContact CB-CG2 3.82Å; M206-I253 HydrophobicContact CE-CB 3.83Å; M206-I253 HydrophobicContact CE-CD1 4.11Å; M206-I253 HydrophobicContact CE-CG2 3.9Å; M206-I253 HydrophobicContact CG-CG2 4.27Å; M206-I253 VanDerWaalsContact N-CG2 3.27Å; R249-I253 PolarHBondContact O-N 3.45Å; L250-I253 HydrophobicContact CD2-CD1 4.01Å; L250-I253 WeakPolarHBondContact O-CB 3.41Å; L250-I253 PolarHBondContact O-N 3.47Å; S251-I253 VanDerWaalsContact C-N 3.26Å; S251-I253 PolarHBondContact O-N 2.96Å; I253-G255 VanDerWaalsContact C-N 3.28Å; I253-G255 PolarHBondContact O-N 2.91Å
254	S	85.3	Confident	91.7	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.049	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	7.9	176.9	65.6	0	0	0	0	114.3	S251 Q252 C256 H418	S251-S254 PolarHBondContact O-N 3.33Å; S251-S254 PolarHBondContact O-OG 2.91Å; Q252-S254 VanDerWaalsContact C-N 3.25Å; Q252-S254 PolarHBondContact O-N 2.78Å; S254-C256 PolarHBondContact OG-SG 2.98Å; S254-H418 WeakPolarHBondContact CB-NE2 3.26Å; S254-H418 PolarHBondContact OG-CD2 3.26Å; S254-H418 PolarHBondContact OG-NE2 3.19Å
255	G	84.9	Confident	91.5	Very high	45 Å²	45	27.6 Å²	27.6	46%	0.464	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	14.7	-179	0	0	0	0	0	115	Q252 I253	Q252-G255 PolarHBondContact O-N 3.31Å; Q252-G255 VanDerWaalsContact O-N 3.1Å; I253-G255 VanDerWaalsContact C-N 3.28Å; I253-G255 PolarHBondContact O-N 2.91Å
256	C	89.1	Confident	91.2	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.061	15%	0.153	C	C	.	.			trans	-63	160.1	172.2	-58.4	0	0	0	0	112	S251 S254 D406 G407 G408 H418	S251-C256 WeakPolarHBondContact O-CB 3.39Å; S251-C256 PolarHBondContact O-N 3.48Å; S251-C256 PolarHBondContact O-SG 3.48Å; S254-C256 PolarHBondContact OG-SG 2.98Å; C256-D406 WeakPolarHBondContact CB-OD2 3.26Å; C256-D406 VanDerWaalsContact SG-CG 3.56Å; C256-G407 VanDerWaalsContact SG-C 3.51Å; C256-G408 WeakPolarHBondContact SG-CA 3.39Å; C256-G408 PolarHBondContact SG-N 2.86Å; C256-H418 PolarHBondContact SG-CD2 3.16Å
257	S	88.9	Confident	90.9	Very high	55 Å²	55	26.4 Å²	26.4	39%	0.385	15%	0.147	S	C	.	.			trans	-53.4	141.5	168.7	175.6	0	0	0	0	111	E259 R420	S257-E259 PolarHBondContact O-N 2.83Å; S257-E259 PolarHBondContact OG-N 3.35Å; S257-E259 VanDerWaalsContact OG-N 3.14Å; S257-R420 PolarHBondContact O-NH1 3.29Å; S257-R420 PolarHBondContact O-NH2 3.41Å
258	P	87.2	Confident	90.6	Very high	44 Å²	44	26.9 Å²	26.9	29%	0.286	15%	0.15	S	C	.	.	S	Bend	trans	-59.3	-11.6	169.6	-24.3	34.4	0	0	0	114	P260 R261 R420	P258-P260 CarbonylContact O-C 3.56Å; P258-R261 WeakPolarHBondContact O-CG 3.37Å; P258-R420 PolarHBondContact O-NH2 2.81Å
259	E	89	Confident	90.4	Very high	44 Å²	44	27.5 Å²	27.5	21%	0.206	15%	0.152	C	C	.	.			trans	-106.3	144.8	179.5	-78.6	138.7	-134.6	0	0	114.4	S257 R395 R420	S257-E259 PolarHBondContact O-N 2.83Å; S257-E259 PolarHBondContact OG-N 3.35Å; S257-E259 VanDerWaalsContact OG-N 3.14Å; E259-R395 HydrophobicContact CG-CG 4.17Å; E259-R395 WeakPolarHBondContact OE1-CD 3.11Å; E259-R395 VanDerWaalsContact OE1-CG 3.3Å; E259-R395 WeakPolarHBondContact OE1-CG 3.23Å; E259-R395 IonicContact OE1-CZ 3.34Å; E259-R395 IonicContact OE1-NE 2.69Å; E259-R395 PolarHBondContact OE1-NE 3.25Å; E259-R395 IonicContact OE1-NH2 2.7Å; E259-R395 PolarHBondContact OE1-NH2 2.99Å; E259-R395 WeakPolarHBondContact OE2-CD 3.21Å; E259-R395 WeakPolarHBondContact OE2-CG 3.27Å; E259-R395 IonicContact OE2-CZ 3.57Å; E259-R395 VanDerWaalsContact OE2-CZ 3.3Å; E259-R395 IonicContact OE2-NE 3.95Å; E259-R395 PolarHBondContact OE2-NE 3.03Å; E259-R395 IonicContact OE2-NH2 3.87Å; E259-R395 PolarHBondContact OE2-NH2 3.47Å; E259-R420 PolarHBondContact O-NH1 3.22Å; E259-R420 PolarHBondContact O-NH2 3.28Å; E259-R420 VanDerWaalsContact O-NH2 3.1Å
260	P	92.4	Very high	90.4	Very high	13 Å²	13	25.3 Å²	25.3	8%	0.084	14%	0.144	C	C	.	.	S	Bend	cis	-70	150.3	-2.1	31.5	-37.7	0	0	0	112.1	P258 A392 L393 V400 V404 R420	P258-P260 CarbonylContact O-C 3.56Å; P260-A392 HydrophobicContact CB-CB 4.16Å; P260-A392 HydrophobicContact CG-CB 4.35Å; P260-L393 WeakPolarHBondContact CA-O 3.4Å; P260-V400 HydrophobicContact CB-CG2 3.86Å; P260-V404 HydrophobicContact CG-CB 4.38Å; P260-V404 HydrophobicContact CG-CG1 4.15Å; P260-V404 HydrophobicContact CG-CG2 4.18Å; P260-R420 PolarHBondContact O-NH2 2.79Å
261	R	92.7	Very high	90.4	Very high	50 Å²	50	26 Å²	26	19%	0.189	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145.6	176.4	-75.8	-165.9	-178	-141.1	-9.2	110.7	P258 D334 F338 A392 L393	P258-R261 WeakPolarHBondContact O-CG 3.37Å; R261-D334 IonicContact CZ-OD1 2.66Å; R261-D334 IonicContact NH1-OD1 2.83Å; R261-D334 PolarHBondContact NH1-OD1 2.9Å; R261-D334 IonicContact NH1-OD2 3.43Å; R261-F338 HydrophobicContact CB-CD1 4.27Å; R261-F338 HydrophobicContact CB-CE1 3.87Å; R261-F338 HydrophobicContact CB-CE2 4.35Å; R261-F338 HydrophobicContact CB-CZ 3.9Å; R261-F338 VanDerWaalsContact CD-CD2 3.47Å; R261-F338 HydrophobicContact CG-CD2 4.4Å; R261-F338 HydrophobicContact CG-CE2 4.15Å; R261-F338 HydrophobicContact CG-CZ 4.19Å; R261-A392 CarbonylContact O-C 3.56Å; R261-A392 WeakPolarHBondContact O-CA 3.36Å; R261-L393 PolarHBondContact N-O 3.43Å; R261-L393 PolarHBondContact O-N 2.76Å
262	I	92.8	Very high	90.5	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.2	175	-60.2	-57.1	0	0	0	109.9	S247 D248 R319 A390 Q391 A392	S247-I262 WeakPolarHBondContact OG-CG1 3.44Å; D248-I262 HydrophobicContact CB-CG1 4.03Å; D248-I262 PolarHBondContact OD2-N 3.49Å; I262-R319 PolarHBondContact O-NH2 3.4Å; I262-A390 HydrophobicContact CG2-CB 3.71Å; I262-Q391 WeakPolarHBondContact CA-O 3.4Å; I262-A392 HydrophobicContact CD1-CB 3.98Å
263	V	91.3	Very high	90.7	Very high	4 Å²	4	25 Å²	25	2%	0.024	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.7	171.4	-178.6	0	0	0	0	109.2	F265 L315 F338 L341 Q391 L393	V263-F265 HydrophobicContact CB-CE2 4.12Å; V263-F265 HydrophobicContact CG1-CD2 4.23Å; V263-F265 HydrophobicContact CG1-CE2 3.69Å; V263-F265 HydrophobicContact CG1-CZ 4.31Å; V263-L315 HydrophobicContact CG1-CD1 3.43Å; V263-L315 VanDerWaalsContact CG1-CD1 3.43Å; V263-F338 HydrophobicContact CG2-CD1 4.24Å; V263-F338 HydrophobicContact CG2-CE1 4.4Å; V263-L341 HydrophobicContact CG1-CD1 4.01Å; V263-L341 HydrophobicContact CG1-CD2 4.07Å; V263-Q391 PolarHBondContact N-O 2.86Å; V263-Q391 WeakPolarHBondContact O-CB 3.33Å; V263-Q391 PolarHBondContact O-N 3.2Å; V263-L393 HydrophobicContact CB-CD1 3.58Å; V263-L393 HydrophobicContact CG2-CD1 3.53Å
264	P	91.4	Very high	91	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.9	-178.5	32.9	-34.8	0	0	0	111.4	L245 A316 R319 V388 R389	L245-P264 HydrophobicContact CD2-CB 4.2Å; P264-A316 HydrophobicContact CB-CB 4.01Å; P264-A316 HydrophobicContact CG-CB 4.09Å; P264-A316 PolarHBondContact O-N 3.5Å; P264-R319 HydrophobicContact CG-CG 4.3Å; P264-V388 HydrophobicContact CB-CG1 3.58Å; P264-R389 WeakPolarHBondContact CA-O 3.37Å
265	F	88.7	Confident	91.6	Very high	45 Å²	45	32.4 Å²	32.4	20%	0.197	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.1	170.6	-76.3	-93.3	0	0	0	109.8	V263 V314 L315 L344 V388 R389 Q391 L393	V263-F265 HydrophobicContact CB-CE2 4.12Å; V263-F265 HydrophobicContact CG1-CD2 4.23Å; V263-F265 HydrophobicContact CG1-CE2 3.69Å; V263-F265 HydrophobicContact CG1-CZ 4.31Å; F265-V314 CarbonylContact C-O 3.58Å; F265-V314 WeakPolarHBondContact CA-O 3.07Å; F265-L315 HydrophobicContact CZ-CD1 4.44Å; F265-L344 HydrophobicContact CZ-CD2 3.89Å; F265-V388 CarbonylContact O-C 3.51Å; F265-V388 WeakPolarHBondContact O-CA 3.17Å; F265-R389 PolarHBondContact N-O 2.93Å; F265-R389 PolarHBondContact O-N 3.27Å; F265-Q391 HydrophobicContact CD2-CB 3.73Å; F265-Q391 HydrophobicContact CD2-CG 4.32Å; F265-Q391 HydrophobicContact CE2-CB 4.06Å; F265-Q391 HydrophobicContact CE2-CG 4.32Å; F265-L393 HydrophobicContact CE2-CD1 4.43Å
266	R	90.3	Very high	92.1	Very high	18 Å²	18	32.7 Å²	32.7	7%	0.068	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.7	174	-168.1	-177.4	80.9	-139.2	-4.7	109.7	D268 V314 A316 G321 H323 L324 G387 V388	R266-D268 IonicContact CZ-OD1 3.6Å; R266-D268 IonicContact CZ-OD2 3.48Å; R266-D268 IonicContact NE-OD1 3.8Å; R266-D268 PolarHBondContact NE-OD1 3.45Å; R266-D268 IonicContact NE-OD2 3.84Å; R266-D268 PolarHBondContact NE-OD2 2.87Å; R266-D268 IonicContact NH2-OD1 3.66Å; R266-D268 IonicContact NH2-OD2 2.8Å; R266-D268 PolarHBondContact NH2-OD2 3.01Å; R266-V314 HydrophobicContact CB-CG2 3.98Å; R266-V314 PolarHBondContact N-O 2.9Å; R266-V314 WeakPolarHBondContact O-CG2 3.45Å; R266-V314 PolarHBondContact O-N 3.48Å; R266-A316 HydrophobicContact CB-CB 4.12Å; R266-G321 WeakPolarHBondContact CD-O 3.44Å; R266-H323 PolarHBondContact NH1-O 3.02Å; R266-L324 VanDerWaalsContact NH1-CA 3.28Å; R266-G387 CarbonylContact C-O 3.48Å; R266-G387 WeakPolarHBondContact CA-O 3.44Å; R266-V388 HydrophobicContact CB-CG2 4.34Å; R266-V388 HydrophobicContact CG-CG2 4.22Å
267	G	88.6	Confident	92.5	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.6	170.1	0	0	0	0	0	110.1	N312 T386 G387	G267-N312 WeakPolarHBondContact CA-O 2.99Å; G267-T386 VanDerWaalsContact O-CA 3.3Å; G267-T386 WeakPolarHBondContact O-CA 3.44Å; G267-G387 PolarHBondContact N-O 3.19Å; G267-G387 PolarHBondContact O-N 3.39Å
268	D	88.3	Confident	92.8	Very high	14 Å²	14	36.8 Å²	36.8	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.8	176.3	-58.3	-39.2	0	0	0	109.4	R266 P311 N312 T386	R266-D268 IonicContact CZ-OD1 3.6Å; R266-D268 IonicContact CZ-OD2 3.48Å; R266-D268 IonicContact NE-OD1 3.8Å; R266-D268 PolarHBondContact NE-OD1 3.45Å; R266-D268 IonicContact NE-OD2 3.84Å; R266-D268 PolarHBondContact NE-OD2 2.87Å; R266-D268 IonicContact NH2-OD1 3.66Å; R266-D268 IonicContact NH2-OD2 2.8Å; R266-D268 PolarHBondContact NH2-OD2 3.01Å; D268-P311 WeakPolarHBondContact O-CA 3.41Å; D268-N312 WeakPolarHBondContact CB-OD1 3.31Å; D268-N312 PolarHBondContact N-OD1 2.69Å; D268-N312 PolarHBondContact O-N 3.12Å; D268-T386 HydrophobicContact CB-CG2 4.5Å; D268-T386 WeakPolarHBondContact OD1-CG2 3.27Å
269	Y	91.2	Very high	93.3	Very high	14 Å²	14	34.8 Å²	34.8	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	153.3	172.2	-64	-93.9	0	0	0	110.5	W308 L309 P311 G384 P385	Y269-W308 HydrophobicContact CD1-CB 4.03Å; Y269-W308 AromaticContact CD1-CE3 3.85Å; Y269-W308 HydrophobicContact CD1-CE3 3.85Å; Y269-W308 AromaticContact CD2-CE3 3.94Å; Y269-W308 HydrophobicContact CD2-CE3 3.94Å; Y269-W308 HydrophobicContact CD2-CZ3 4.14Å; Y269-W308 HydrophobicContact CE1-CE3 4.12Å; Y269-W308 HydrophobicContact CE2-CE3 4.21Å; Y269-W308 HydrophobicContact CE2-CZ3 4.25Å; Y269-W308 HydrophobicContact CG-CD2 4.48Å; Y269-W308 AromaticContact CG-CE3 3.75Å; Y269-W308 HydrophobicContact CG-CE3 3.75Å; Y269-W308 HydrophobicContact CG-CZ3 4.4Å; Y269-L309 CarbonylContact C-O 3.5Å; Y269-L309 WeakPolarHBondContact CA-O 3.36Å; Y269-P311 HydrophobicContact CD1-CB 4.21Å; Y269-P311 HydrophobicContact CD2-CB 4.18Å; Y269-P311 HydrophobicContact CE1-CB 3.81Å; Y269-P311 HydrophobicContact CE1-CG 3.95Å; Y269-P311 VanDerWaalsContact CE1-N 3.32Å; Y269-P311 HydrophobicContact CE2-CB 3.76Å; Y269-P311 HydrophobicContact CE2-CG 4.25Å; Y269-P311 HydrophobicContact CG-CB 4.39Å; Y269-P311 WeakPolarHBondContact OH-CG 3.2Å; Y269-G384 CarbonylContact O-C 3.47Å; Y269-G384 WeakPolarHBondContact O-CA 3.42Å; Y269-G384 PolarHBondContact O-N 3.22Å; Y269-P385 WeakPolarHBondContact CB-O 3.42Å; Y269-P385 WeakPolarHBondContact CD2-O 3.44Å; Y269-P385 PolarHBondContact N-O 2.69Å
270	L	93.4	Very high	93.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	163.2	157	-46	178.8	0	0	0	108.6	W308 L309 L362 I366 V381 L382	L270-W308 CarbonylContact O-C 3.58Å; L270-W308 WeakPolarHBondContact O-CA 3.27Å; L270-L309 HydrophobicContact CB-CB 4.09Å; L270-L309 HydrophobicContact CB-CD1 4.32Å; L270-L309 HydrophobicContact CB-CG 4.43Å; L270-L309 PolarHBondContact N-O 3.35Å; L270-L309 PolarHBondContact O-N 3.19Å; L270-L362 HydrophobicContact CD1-CD2 3.86Å; L270-L362 HydrophobicContact CD2-CD2 3.29Å; L270-L362 HydrophobicContact CG-CD2 4.21Å; L270-I366 HydrophobicContact CD1-CD1 4.16Å; L270-V381 HydrophobicContact CB-CB 4.46Å; L270-V381 HydrophobicContact CD1-CB 4.41Å; L270-V381 HydrophobicContact CD1-CG2 4.38Å; L270-L382 CarbonylContact C-O 3.54Å; L270-L382 VanDerWaalsContact CA-O 3.24Å; L270-L382 WeakPolarHBondContact CA-O 3.37Å; L270-L382 WeakPolarHBondContact CB-O 3.43Å
271	V	95.8	Very high	93.8	Very high	31 Å²	31	39.1 Å²	39.1	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.4	171.5	-61.9	0	0	0	0	109.8	V307 W308 V381 L382	V271-V307 WeakPolarHBondContact CA-O 3.48Å; V271-W308 HydrophobicContact CG1-CG 4.29Å; V271-V381 CarbonylContact O-C 3.54Å; V271-V381 WeakPolarHBondContact O-CA 3.46Å; V271-L382 HydrophobicContact CG2-CB 3.78Å; V271-L382 PolarHBondContact N-O 2.79Å; V271-L382 PolarHBondContact O-N 3.11Å
272	L	96.8	Very high	94	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.4	169.1	-71.8	179.4	0	0	0	109.9	H277 V280 V307 L309 L376 V381	L272-H277 PolarHBondContact O-CD2 2.91Å; L272-H277 PolarHBondContact O-NE2 3.4Å; L272-V280 HydrophobicContact CD1-CG2 4.09Å; L272-V307 HydrophobicContact CB-CB 4.18Å; L272-V307 HydrophobicContact CD1-CB 3.81Å; L272-V307 HydrophobicContact CD1-CG1 3.8Å; L272-V307 HydrophobicContact CD1-CG2 4.32Å; L272-V307 HydrophobicContact CG-CB 4.18Å; L272-V307 HydrophobicContact CG-CG1 4.34Å; L272-V307 PolarHBondContact N-O 3.12Å; L272-L309 HydrophobicContact CD1-CD2 4.36Å; L272-L309 HydrophobicContact CD2-CD1 3.85Å; L272-L309 HydrophobicContact CD2-CD2 4.46Å; L272-L309 HydrophobicContact CG-CD1 4.16Å; L272-L309 HydrophobicContact CG-CD2 4.06Å; L272-L309 HydrophobicContact CG-CG 4.32Å; L272-L376 HydrophobicContact CD2-CD1 3.42Å; L272-L376 VanDerWaalsContact CD2-CD1 3.42Å; L272-V381 HydrophobicContact CD2-CG1 3.95Å
273	K	97.2	Very high	94.2	Very high	57 Å²	57	36.4 Å²	36.4	25%	0.248	17%	0.171	C	C	.	.			trans	-61.5	147.8	170.1	-71.5	-175.7	176.5	174.5	0	111.1	E275 K276 H277 S379 D380 L382	K273-E275 VanDerWaalsContact C-N 3.27Å; K273-E275 VanDerWaalsContact CD-OE1 3.31Å; K273-E275 WeakPolarHBondContact CD-OE1 3.3Å; K273-E275 PolarHBondContact O-N 2.94Å; K273-K276 WeakPolarHBondContact O-CA 3.41Å; K273-K276 PolarHBondContact O-N 3.41Å; K273-H277 PolarHBondContact O-CD2 3.48Å; K273-H277 PolarHBondContact O-N 2.86Å; K273-H277 PolarHBondContact O-NE2 2.84Å; K273-S379 WeakPolarHBondContact CD-O 3.26Å; K273-S379 WeakPolarHBondContact CE-O 3.36Å; K273-S379 PolarHBondContact NZ-O 2.56Å; K273-D380 PolarHBondContact N-O 3.29Å; K273-L382 HydrophobicContact CG-CD1 4.09Å; K273-L382 HydrophobicContact CG-CD2 4.5Å; K273-L382 HydrophobicContact CG-CG 3.96Å
274	P	96.8	Very high	94.5	Very high	95 Å²	95	36.2 Å²	36.2	62%	0.617	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-49.1	-44.1	-177.2	-29.6	36.9	0	0	0	114.8	K276 H277	P274-K276 PolarHBondContact O-N 3.35Å; P274-H277 VanDerWaalsContact CA-CE1 3.48Å; P274-H277 WeakPolarHBondContact CA-CE1 3.05Å; P274-H277 WeakPolarHBondContact CA-NE2 3.33Å; P274-H277 PolarHBondContact O-N 2.92Å
275	E	96.3	Very high	94.7	Very high	117 Å²	117	36.8 Å²	36.8	55%	0.547	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-65.8	-9.9	179.8	64.9	-86.5	-159.6	0	0	113.9	K273 Y278	K273-E275 VanDerWaalsContact C-N 3.27Å; K273-E275 VanDerWaalsContact CD-OE1 3.31Å; K273-E275 WeakPolarHBondContact CD-OE1 3.3Å; K273-E275 PolarHBondContact O-N 2.94Å; E275-Y278 WeakPolarHBondContact O-CD1 3.46Å; E275-Y278 WeakPolarHBondContact O-CE1 3.49Å
276	K	97.2	Very high	94.9	Very high	52 Å²	52	35.5 Å²	35.5	23%	0.226	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-112.7	2.3	179.5	-62.8	-58.8	-170.8	174.2	0	114.2	K273 P274 Y278 L279 D380	K273-K276 WeakPolarHBondContact O-CA 3.41Å; K273-K276 PolarHBondContact O-N 3.41Å; P274-K276 PolarHBondContact O-N 3.35Å; K276-Y278 HydrophobicContact CD-CE1 3.99Å; K276-Y278 PolarHBondContact O-N 3.19Å; K276-Y278 VanDerWaalsContact O-N 3.13Å; K276-L279 HydrophobicContact CB-CD1 4.14Å; K276-L279 HydrophobicContact CD-CD1 4.39Å; K276-L279 WeakPolarHBondContact O-CB 3.3Å; K276-L279 WeakPolarHBondContact O-CG 3.26Å; K276-L279 PolarHBondContact O-N 2.9Å; K276-L279 VanDerWaalsContact O-N 3.15Å; K276-D380 HydrophobicContact CB-CB 4.49Å; K276-D380 WeakPolarHBondContact CE-OD1 3.39Å; K276-D380 HydrophobicContact CG-CB 3.88Å
277	H	96.5	Very high	95	Very high	48 Å²	48	35 Å²	35	22%	0.222	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-59.5	-26.2	179	-66.9	174	0	0	0	113	L272 K273 P274 L279 V280 G305 V307	L272-H277 PolarHBondContact O-CD2 2.91Å; L272-H277 PolarHBondContact O-NE2 3.4Å; K273-H277 PolarHBondContact O-CD2 3.48Å; K273-H277 PolarHBondContact O-N 2.86Å; K273-H277 PolarHBondContact O-NE2 2.84Å; P274-H277 VanDerWaalsContact CA-CE1 3.48Å; P274-H277 WeakPolarHBondContact CA-CE1 3.05Å; P274-H277 WeakPolarHBondContact CA-NE2 3.33Å; P274-H277 PolarHBondContact O-N 2.92Å; H277-L279 PolarHBondContact O-N 2.71Å; H277-L279 VanDerWaalsContact O-N 3.09Å; H277-V280 PolarHBondContact O-N 2.86Å; H277-G305 PolarHBondContact ND1-O 3.44Å; H277-V307 HydrophobicContact CB-CG2 4.47Å
278	Y	95.6	Very high	94.9	Very high	102 Å²	102	35.7 Å²	35.7	40%	0.4	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-60.5	-18.8	178	72.5	-96.8	0	0	0	114.5	Y162 E275 K276 V280	Y162-Y278 HydrophobicContact CD1-CE2 4.34Å; Y162-Y278 HydrophobicContact CD2-CD2 4.18Å; Y162-Y278 HydrophobicContact CD2-CE2 4.48Å; Y162-Y278 HydrophobicContact CE1-CD2 4.21Å; Y162-Y278 AromaticContact CE1-CE2 3.72Å; Y162-Y278 HydrophobicContact CE1-CE2 3.72Å; Y162-Y278 AromaticContact CE2-CD2 3.5Å; Y162-Y278 HydrophobicContact CE2-CD2 3.5Å; Y162-Y278 VanDerWaalsContact CE2-CD2 3.5Å; Y162-Y278 AromaticContact CE2-CE2 3.9Å; Y162-Y278 HydrophobicContact CE2-CE2 3.9Å; Y162-Y278 AromaticContact CZ-CD2 3.5Å; Y162-Y278 AromaticContact CZ-CE2 3.46Å; Y162-Y278 VanDerWaalsContact CZ-CE2 3.46Å; E275-Y278 WeakPolarHBondContact O-CD1 3.46Å; E275-Y278 WeakPolarHBondContact O-CE1 3.49Å; K276-Y278 HydrophobicContact CD-CE1 3.99Å; K276-Y278 PolarHBondContact O-N 3.19Å; K276-Y278 VanDerWaalsContact O-N 3.13Å; Y278-V280 PolarHBondContact O-N 2.89Å
279	L	96.8	Very high	94.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-67	-20.7	179.9	-67.6	175.2	0	0	0	113.2	Y162 K276 H277 I373 E375	Y162-L279 HydrophobicContact CD1-CD2 3.67Å; Y162-L279 HydrophobicContact CD2-CD2 4.2Å; Y162-L279 HydrophobicContact CE1-CD2 4.25Å; Y162-L279 HydrophobicContact CG-CD2 3.63Å; K276-L279 HydrophobicContact CB-CD1 4.14Å; K276-L279 HydrophobicContact CD-CD1 4.39Å; K276-L279 WeakPolarHBondContact O-CB 3.3Å; K276-L279 WeakPolarHBondContact O-CG 3.26Å; K276-L279 PolarHBondContact O-N 2.9Å; K276-L279 VanDerWaalsContact O-N 3.15Å; H277-L279 PolarHBondContact O-N 2.71Å; H277-L279 VanDerWaalsContact O-N 3.09Å; L279-I373 HydrophobicContact CB-CG2 4.45Å; L279-I373 HydrophobicContact CD1-CG2 4.41Å; L279-I373 HydrophobicContact CD2-CG2 4.33Å; L279-E375 HydrophobicContact CD2-CB 4.36Å
280	V	97.1	Very high	93.4	Very high	10 Å²	10	41 Å²	41	6%	0.061	21%	0.205	C	C	.	.			trans	-135.2	119.2	-171.9	-175.4	0	0	0	0	110.2	L272 H277 Y278 G282 I284 F299 P301 V307 I373	L272-V280 HydrophobicContact CD1-CG2 4.09Å; H277-V280 PolarHBondContact O-N 2.86Å; Y278-V280 PolarHBondContact O-N 2.89Å; V280-G282 WeakPolarHBondContact CG1-O 3.32Å; V280-I284 HydrophobicContact CG1-CD1 4.03Å; V280-I284 HydrophobicContact CG1-CG1 4.41Å; V280-I284 HydrophobicContact CG2-CD1 4.37Å; V280-F299 HydrophobicContact CG1-CB 3.89Å; V280-F299 HydrophobicContact CG2-CB 4.05Å; V280-F299 HydrophobicContact CG2-CD1 3.7Å; V280-F299 HydrophobicContact CG2-CG 4.15Å; V280-P301 HydrophobicContact CG1-CG 3.96Å; V280-V307 HydrophobicContact CB-CG1 4.01Å; V280-V307 HydrophobicContact CB-CG2 4.2Å; V280-V307 HydrophobicContact CG1-CG1 4.08Å; V280-V307 HydrophobicContact CG2-CG1 4.03Å; V280-I373 HydrophobicContact CG2-CD1 3.6Å
281	R	95.5	Very high	92.1	Very high	138 Å²	138	49.8 Å²	49.8	52%	0.521	24%	0.238	S	C	.	.	S	Bend	trans	-98.1	-33.3	178.8	-63.7	178.3	170.9	-178.4	-4.2	113	E160	E160-R281 PolarHBondContact OE1-N 3Å; E160-R281 WeakPolarHBondContact OE2-CB 3.35Å; E160-R281 PolarHBondContact OE2-N 3.18Å
282	G	96.4	Very high	90.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-138.8	-171.8	-175.3	0	0	0	0	0	112.3	C118 E160 V280 P301	C118-G282 WeakPolarHBondContact O-CA 2.98Å; E160-G282 VanDerWaalsContact OE1-CA 3.24Å; E160-G282 WeakPolarHBondContact OE1-CA 3.27Å; E160-G282 PolarHBondContact OE1-N 2.85Å; V280-G282 WeakPolarHBondContact CG1-O 3.32Å; G282-P301 VanDerWaalsContact O-CD 3.26Å; G282-P301 WeakPolarHBondContact O-CD 3.43Å; G282-P301 VanDerWaalsContact O-CG 3.32Å; G282-P301 WeakPolarHBondContact O-CG 3.41Å
283	N	97.5	Very high	88.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.5	-179	-65.9	-81.7	0	0	0	110.8	C118 G119 K120 L121 Y285 F299	C118-N283 PolarHBondContact SG-ND2 2.84Å; G119-N283 WeakPolarHBondContact O-CB 3.3Å; G119-N283 PolarHBondContact O-N 2.91Å; G119-N283 VanDerWaalsContact O-N 3.11Å; G119-N283 PolarHBondContact O-ND2 2.86Å; K120-N283 CarbonylContact C-O 3.58Å; K120-N283 WeakPolarHBondContact CA-O 2.62Å; K120-N283 HydrophobicContact CB-CB 3.8Å; K120-N283 HydrophobicContact CD-CB 4.45Å; K120-N283 HydrophobicContact CG-CB 3.85Å; L121-N283 PolarHBondContact N-O 3.09Å; N283-Y285 HydrophobicContact CB-CD1 4.06Å; N283-Y285 HydrophobicContact CB-CE1 3.85Å; N283-F299 WeakPolarHBondContact CA-O 3.2Å
284	I	97.1	Very high	86.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.3	-179.2	-60.2	175.4	0	0	0	108.5	L123 E160 C163 V280 H298 F299 I373	L123-I284 HydrophobicContact CD1-CG2 3.38Å; E160-I284 HydrophobicContact CB-CD1 4.43Å; E160-I284 HydrophobicContact CG-CD1 4.05Å; E160-I284 HydrophobicContact CG-CG1 4.2Å; C163-I284 HydrophobicContact CB-CD1 4.36Å; V280-I284 HydrophobicContact CG1-CD1 4.03Å; V280-I284 HydrophobicContact CG1-CG1 4.41Å; V280-I284 HydrophobicContact CG2-CD1 4.37Å; I284-H298 WeakPolarHBondContact O-CA 3.42Å; I284-H298 VanDerWaalsContact O-CB 3.25Å; I284-H298 WeakPolarHBondContact O-CB 3.34Å; I284-F299 HydrophobicContact CB-CB 4.03Å; I284-F299 HydrophobicContact CB-CD2 3.79Å; I284-F299 HydrophobicContact CB-CG 4.24Å; I284-F299 HydrophobicContact CG2-CD2 3.79Å; I284-F299 HydrophobicContact CG2-CE2 4.27Å; I284-F299 PolarHBondContact N-O 3.41Å; I284-F299 PolarHBondContact O-N 3.14Å; I284-I373 HydrophobicContact CD1-CD1 4Å
285	Y	95.3	Very high	84.8	Confident	18 Å²	18	51.7 Å²	51.7	7%	0.071	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.4	-170.2	-83.4	51.3	0	0	0	110.8	K120 L121 I122 L123 N283 H298	K120-Y285 HydrophobicContact CD-CD1 4.09Å; K120-Y285 HydrophobicContact CD-CD2 4.35Å; K120-Y285 HydrophobicContact CD-CE1 4.48Å; K120-Y285 HydrophobicContact CD-CG 4.06Å; K120-Y285 HydrophobicContact CG-CD1 4.21Å; K120-Y285 HydrophobicContact CG-CG 4.43Å; L121-Y285 PolarHBondContact O-N 2.66Å; I122-Y285 CarbonylContact C-O 3.49Å; I122-Y285 VanDerWaalsContact CA-O 3.3Å; I122-Y285 WeakPolarHBondContact CA-O 3.37Å; L123-Y285 PolarHBondContact N-O 2.83Å; N283-Y285 HydrophobicContact CB-CD1 4.06Å; N283-Y285 HydrophobicContact CB-CE1 3.85Å; Y285-H298 HydrophobicContact CD1-CB 3.65Å; Y285-H298 HydrophobicContact CD2-CB 4.25Å; Y285-H298 HydrophobicContact CE1-CB 3.73Å; Y285-H298 AromaticContact CE1-CD2 3.53Å; Y285-H298 AromaticContact CE1-CG 3.69Å; Y285-H298 HydrophobicContact CE2-CB 4.36Å; Y285-H298 AromaticContact CE2-CG 3.95Å; Y285-H298 HydrophobicContact CG-CB 3.89Å; Y285-H298 AromaticContact CZ-CD2 3.4Å; Y285-H298 AromaticContact CZ-CG 3.61Å; Y285-H298 AromaticContact CZ-NE2 3.68Å; Y285-H298 PolarHBondContact OH-CD2 2.97Å; Y285-H298 PolarHBondContact OH-NE2 2.76Å
286	P	93.3	Very high	83.3	Confident	18 Å²	18	47.3 Å²	47.3	12%	0.117	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	156.3	171.4	32.8	-36.7	0	0	0	111.2	I122 Y372	I122-P286 WeakPolarHBondContact CG2-O 3.33Å; P286-Y372 HydrophobicContact CB-CE1 4.42Å; P286-Y372 HydrophobicContact CB-CE2 4.45Å; P286-Y372 WeakPolarHBondContact CB-OH 3.32Å
287	V	92.4	Very high	82.4	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.042	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-62.6	124.4	159.6	172.9	0	0	0	0	108.1	I122 L123 A124 E129 R132 L133	I122-V287 HydrophobicContact CG2-CG2 4.05Å; L123-V287 WeakPolarHBondContact O-CG2 3.23Å; L123-V287 PolarHBondContact O-N 3.25Å; A124-V287 HydrophobicContact CB-CG2 4.22Å; E129-V287 HydrophobicContact CB-CB 4.23Å; E129-V287 HydrophobicContact CB-CG1 4.32Å; E129-V287 HydrophobicContact CB-CG2 4.31Å; E129-V287 HydrophobicContact CG-CB 4.47Å; R132-V287 HydrophobicContact CB-CG1 3.7Å; L133-V287 HydrophobicContact CB-CG2 3.85Å; L133-V287 HydrophobicContact CD1-CG2 3.8Å; L133-V287 HydrophobicContact CG-CG2 4.23Å
288	P	86.4	Confident	82	Confident	22 Å²	22	44 Å²	44	14%	0.143	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-59.8	143.6	-178.1	-20.8	30.9	0	0	0	112.5	Y86 R132 L136 P290	Y86-P288 HydrophobicContact CD1-CG 3.6Å; Y86-P288 HydrophobicContact CE1-CG 3.2Å; R132-P288 PolarHBondContact NH1-O 2.91Å; L136-P288 VanDerWaalsContact CD1-CD 3.48Å; L136-P288 HydrophobicContact CD1-CG 4.1Å; P288-P290 WeakPolarHBondContact O-CD 3.44Å
289	D	79.1	Confident	82	Confident	42 Å²	42	39.2 Å²	39.2	23%	0.225	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-77.5	121.8	162.4	-168.6	-35.2	0	0	0	108.5	R291 F292 P293	D289-R291 PolarHBondContact O-N 3.39Å; D289-R291 VanDerWaalsContact O-N 3.11Å; D289-R291 VanDerWaalsContact OD1-CB 3.3Å; D289-R291 WeakPolarHBondContact OD1-CB 3.44Å; D289-R291 WeakPolarHBondContact OD1-CG 3.21Å; D289-R291 IonicContact OD1-CZ 2.79Å; D289-R291 PolarHBondContact OD1-N 3.33Å; D289-R291 IonicContact OD1-NE 3.38Å; D289-R291 PolarHBondContact OD1-NE 3.09Å; D289-R291 IonicContact OD1-NH2 3.8Å; D289-R291 IonicContact OD2-CZ 3.93Å; D289-R291 IonicContact OD2-NE 3.06Å; D289-R291 PolarHBondContact OD2-NE 2.76Å; D289-R291 IonicContact OD2-NH2 3.22Å; D289-R291 PolarHBondContact OD2-NH2 2.93Å; D289-F292 CarbonylContact O-C 3.55Å; D289-F292 PolarHBondContact O-N 2.98Å; D289-P293 WeakPolarHBondContact O-CA 3.37Å; D289-P293 VanDerWaalsContact O-N 3.12Å
290	P	69.4	Low	82	Confident	98 Å²	98	39.1 Å²	39.1	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.2	177.2	-25.5	34.8	0	0	0	114	P288 F292	P288-P290 WeakPolarHBondContact O-CD 3.44Å; P290-F292 VanDerWaalsContact C-N 3.28Å
291	R	66.1	Low	82	Confident	184 Å²	184	39.1 Å²	39.1	69%	0.694	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.5	176.1	-59.5	172.2	-67.2	-177.3	1.8	112	D289	D289-R291 PolarHBondContact O-N 3.39Å; D289-R291 VanDerWaalsContact O-N 3.11Å; D289-R291 VanDerWaalsContact OD1-CB 3.3Å; D289-R291 WeakPolarHBondContact OD1-CB 3.44Å; D289-R291 WeakPolarHBondContact OD1-CG 3.21Å; D289-R291 IonicContact OD1-CZ 2.79Å; D289-R291 PolarHBondContact OD1-N 3.33Å; D289-R291 IonicContact OD1-NE 3.38Å; D289-R291 PolarHBondContact OD1-NE 3.09Å; D289-R291 IonicContact OD1-NH2 3.8Å; D289-R291 IonicContact OD2-CZ 3.93Å; D289-R291 IonicContact OD2-NE 3.06Å; D289-R291 PolarHBondContact OD2-NE 2.76Å; D289-R291 IonicContact OD2-NH2 3.22Å; D289-R291 PolarHBondContact OD2-NH2 2.93Å
292	F	63.2	Low	82	Confident	29 Å²	29	34.6 Å²	34.6	13%	0.127	18%	0.179	C	C	.	.			trans	-144.4	60.5	-171.7	-57.9	-69.9	0	0	0	111.9	D289 P290 F294 L295 N348 Y351	D289-F292 CarbonylContact O-C 3.55Å; D289-F292 PolarHBondContact O-N 2.98Å; P290-F292 VanDerWaalsContact C-N 3.28Å; F292-F294 PolarHBondContact O-N 3.21Å; F292-L295 HydrophobicContact CB-CB 4.18Å; F292-L295 HydrophobicContact CB-CD1 3.76Å; F292-L295 HydrophobicContact CD1-CD1 3.98Å; F292-L295 HydrophobicContact CG-CD1 4.24Å; F292-L295 PolarHBondContact O-N 3.48Å; F292-L295 VanDerWaalsContact O-N 3.13Å; F292-N348 HydrophobicContact CE1-CB 4.33Å; F292-N348 VanDerWaalsContact CE1-OD1 3.24Å; F292-N348 WeakPolarHBondContact CE1-OD1 3.48Å; F292-Y351 HydrophobicContact CB-CE1 4.49Å; F292-Y351 HydrophobicContact CB-CE2 4.27Å; F292-Y351 AromaticContact CD1-CD1 3.79Å; F292-Y351 HydrophobicContact CD1-CD1 3.79Å; F292-Y351 HydrophobicContact CD1-CD2 4.19Å; F292-Y351 AromaticContact CD1-CE1 3.86Å; F292-Y351 HydrophobicContact CD1-CE1 3.86Å; F292-Y351 HydrophobicContact CD1-CE2 4.23Å; F292-Y351 AromaticContact CD1-CG 3.96Å; F292-Y351 HydrophobicContact CD1-CG 3.96Å; F292-Y351 AromaticContact CD2-CD2 3.49Å; F292-Y351 HydrophobicContact CD2-CD2 3.49Å; F292-Y351 VanDerWaalsContact CD2-CD2 3.49Å; F292-Y351 AromaticContact CD2-CE2 3.41Å; F292-Y351 HydrophobicContact CD2-CE2 3.41Å; F292-Y351 VanDerWaalsContact CD2-CE2 3.41Å; F292-Y351 HydrophobicContact CD2-CG 4.07Å; F292-Y351 AromaticContact CD2-CZ 3.95Å; F292-Y351 AromaticContact CE1-CD1 3.69Å; F292-Y351 HydrophobicContact CE1-CD1 3.69Å; F292-Y351 HydrophobicContact CE1-CD2 4.01Å; F292-Y351 HydrophobicContact CE1-CE1 4.24Å; F292-Y351 AromaticContact CE1-CG 3.55Å; F292-Y351 HydrophobicContact CE1-CG 3.55Å; F292-Y351 HydrophobicContact CE2-CD1 4.47Å; F292-Y351 AromaticContact CE2-CD2 3.28Å; F292-Y351 HydrophobicContact CE2-CD2 3.28Å; F292-Y351 AromaticContact CE2-CE2 3.75Å; F292-Y351 HydrophobicContact CE2-CE2 3.75Å; F292-Y351 AromaticContact CE2-CG 3.68Å; F292-Y351 HydrophobicContact CE2-CG 3.68Å; F292-Y351 HydrophobicContact CG-CD1 4.24Å; F292-Y351 AromaticContact CG-CD2 3.96Å; F292-Y351 HydrophobicContact CG-CD2 3.96Å; F292-Y351 HydrophobicContact CG-CE1 4.02Å; F292-Y351 AromaticContact CG-CE2 3.69Å; F292-Y351 HydrophobicContact CG-CE2 3.69Å; F292-Y351 HydrophobicContact CG-CG 4.21Å; F292-Y351 AromaticContact CG-CZ 3.71Å; F292-Y351 VanDerWaalsContact CZ-CB 3.49Å; F292-Y351 HydrophobicContact CZ-CD1 4.06Å; F292-Y351 AromaticContact CZ-CD2 3.57Å; F292-Y351 HydrophobicContact CZ-CD2 3.57Å; F292-Y351 HydrophobicContact CZ-CE2 4.3Å; F292-Y351 AromaticContact CZ-CG 3.41Å; F292-Y351 HydrophobicContact CZ-CG 3.41Å; F292-Y351 VanDerWaalsContact CZ-CG 3.41Å
293	P	54.9	Low	82	Confident	71 Å²	71	37.9 Å²	37.9	46%	0.461	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.8	-167.8	26.7	-35.3	0	0	0	114.5	D289	D289-P293 WeakPolarHBondContact O-CA 3.37Å; D289-P293 VanDerWaalsContact O-N 3.12Å
294	F	55.7	Low	81.8	Confident	88 Å²	88	44 Å²	44	39%	0.386	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-1.6	-179.5	-54.2	-71.8	0	0	0	114	F292 R389 L399	F292-F294 PolarHBondContact O-N 3.21Å; F294-R389 PolarHBondContact O-NH1 3.14Å; F294-L399 HydrophobicContact CD2-CD1 3.89Å; F294-L399 HydrophobicContact CE2-CD1 3.61Å
295	L	59	Low	81.7	Confident	40 Å²	40	46.2 Å²	46.2	21%	0.209	25%	0.25	C	S	.	.			trans	-116.1	131.4	-173.2	-74.1	133.5	0	0	0	110.2	F292 A313 Y351 E355	F292-L295 HydrophobicContact CB-CB 4.18Å; F292-L295 HydrophobicContact CB-CD1 3.76Å; F292-L295 HydrophobicContact CD1-CD1 3.98Å; F292-L295 HydrophobicContact CG-CD1 4.24Å; F292-L295 PolarHBondContact O-N 3.48Å; F292-L295 VanDerWaalsContact O-N 3.13Å; L295-A313 HydrophobicContact CD2-CB 3.44Å; L295-A313 VanDerWaalsContact CD2-CB 3.44Å; L295-A313 HydrophobicContact CG-CB 4.33Å; L295-Y351 HydrophobicContact CB-CE1 4.48Å; L295-Y351 WeakPolarHBondContact CB-OH 3.37Å; L295-Y351 HydrophobicContact CD1-CD1 4.46Å; L295-Y351 HydrophobicContact CD1-CE1 3.51Å; L295-Y351 HydrophobicContact CD2-CE1 3.85Å; L295-Y351 HydrophobicContact CG-CE1 4.14Å; L295-E355 HydrophobicContact CD2-CG 3.91Å
296	G	64.9	Low	81.7	Confident	24 Å²	24	45.9 Å²	45.9	25%	0.247	25%	0.253	C	S	.	.			trans	164.1	119.1	-178.1	0	0	0	0	0	109.9	H298	G296-H298 PolarHBondContact O-N 3.16Å; G296-H298 PolarHBondContact O-ND1 2.82Å
297	V	77.4	Confident	81.9	Confident	14 Å²	14	45.1 Å²	45.1	9%	0.085	25%	0.248	C	C	.	.			trans	-71.6	119.7	176.9	-167.5	0	0	0	0	107.2	Q365 L369	V297-Q365 HydrophobicContact CG1-CG 4.03Å; V297-Q365 HydrophobicContact CG2-CG 3.98Å; V297-L369 HydrophobicContact CB-CD2 4.04Å; V297-L369 HydrophobicContact CB-CG 4.37Å; V297-L369 HydrophobicContact CG1-CD1 3.73Å; V297-L369 HydrophobicContact CG1-CD2 3.51Å; V297-L369 HydrophobicContact CG1-CG 3.73Å
298	H	89.4	Confident	82.1	Confident	16 Å²	16	46.2 Å²	46.2	7%	0.074	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.4	-177.7	50.3	-97.4	0	0	0	110.7	I284 Y285 G296 T300 L309 G310 P311	I284-H298 WeakPolarHBondContact O-CA 3.42Å; I284-H298 VanDerWaalsContact O-CB 3.25Å; I284-H298 WeakPolarHBondContact O-CB 3.34Å; Y285-H298 HydrophobicContact CD1-CB 3.65Å; Y285-H298 HydrophobicContact CD2-CB 4.25Å; Y285-H298 HydrophobicContact CE1-CB 3.73Å; Y285-H298 AromaticContact CE1-CD2 3.53Å; Y285-H298 AromaticContact CE1-CG 3.69Å; Y285-H298 HydrophobicContact CE2-CB 4.36Å; Y285-H298 AromaticContact CE2-CG 3.95Å; Y285-H298 HydrophobicContact CG-CB 3.89Å; Y285-H298 AromaticContact CZ-CD2 3.4Å; Y285-H298 AromaticContact CZ-CG 3.61Å; Y285-H298 AromaticContact CZ-NE2 3.68Å; Y285-H298 PolarHBondContact OH-CD2 2.97Å; Y285-H298 PolarHBondContact OH-NE2 2.76Å; G296-H298 PolarHBondContact O-N 3.16Å; G296-H298 PolarHBondContact O-ND1 2.82Å; H298-T300 PolarHBondContact CD2-OG1 3.4Å; H298-L309 CarbonylContact O-C 3.54Å; H298-L309 VanDerWaalsContact O-CA 3.26Å; H298-L309 WeakPolarHBondContact O-CA 3.5Å; H298-G310 PolarHBondContact CD2-O 2.69Å; H298-G310 PolarHBondContact CE1-O 2.86Å; H298-G310 PolarHBondContact N-O 3.09Å; H298-G310 PolarHBondContact ND1-O 2.82Å; H298-G310 PolarHBondContact NE2-O 2.96Å; H298-G310 PolarHBondContact O-N 3.24Å; H298-P311 WeakPolarHBondContact CE1-CD 3.35Å
299	F	95.8	Very high	82.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.1	174.5	-50.8	-109.5	0	0	0	108.6	V280 N283 I284 V307 W308 L309 L369 I373 L376	V280-F299 HydrophobicContact CG1-CB 3.89Å; V280-F299 HydrophobicContact CG2-CB 4.05Å; V280-F299 HydrophobicContact CG2-CD1 3.7Å; V280-F299 HydrophobicContact CG2-CG 4.15Å; N283-F299 WeakPolarHBondContact CA-O 3.2Å; I284-F299 HydrophobicContact CB-CB 4.03Å; I284-F299 HydrophobicContact CB-CD2 3.79Å; I284-F299 HydrophobicContact CB-CG 4.24Å; I284-F299 HydrophobicContact CG2-CD2 3.79Å; I284-F299 HydrophobicContact CG2-CE2 4.27Å; I284-F299 PolarHBondContact N-O 3.41Å; I284-F299 PolarHBondContact O-N 3.14Å; F299-V307 HydrophobicContact CB-CG1 4.34Å; F299-W308 CarbonylContact C-O 3.5Å; F299-W308 WeakPolarHBondContact CA-O 3.26Å; F299-L309 HydrophobicContact CB-CD2 4.2Å; F299-L309 HydrophobicContact CD1-CD2 3.11Å; F299-L309 HydrophobicContact CE1-CD2 3.6Å; F299-L309 HydrophobicContact CG-CD2 3.85Å; F299-L369 HydrophobicContact CD2-CD2 4.05Å; F299-L369 HydrophobicContact CE1-CD2 4.08Å; F299-L369 HydrophobicContact CE2-CB 4.44Å; F299-L369 HydrophobicContact CE2-CD2 3.37Å; F299-L369 HydrophobicContact CZ-CB 3.79Å; F299-L369 HydrophobicContact CZ-CD2 3.39Å; F299-L369 HydrophobicContact CZ-CG 4.14Å; F299-I373 HydrophobicContact CD1-CD1 3.79Å; F299-I373 HydrophobicContact CD2-CD1 4.48Å; F299-I373 HydrophobicContact CE1-CB 4.45Å; F299-I373 HydrophobicContact CE1-CD1 3.53Å; F299-I373 HydrophobicContact CE1-CG1 4.12Å; F299-I373 HydrophobicContact CE2-CD1 4.22Å; F299-I373 HydrophobicContact CE2-CG1 4.26Å; F299-I373 HydrophobicContact CG-CD1 4.3Å; F299-I373 HydrophobicContact CZ-CB 4.16Å; F299-I373 HydrophobicContact CZ-CD1 3.74Å; F299-I373 HydrophobicContact CZ-CG1 3.83Å; F299-L376 HydrophobicContact CE1-CD2 4.19Å; F299-L376 HydrophobicContact CZ-CD2 4.41Å
300	T	95.8	Very high	82.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	110.2	180	-65.7	0	0	0	0	110.1	S78 V80 I176 H298 V307 W308	S78-T300 VanDerWaalsContact O-CG2 3.26Å; S78-T300 WeakPolarHBondContact O-CG2 3.33Å; V80-T300 HydrophobicContact CG2-CG2 3.7Å; I176-T300 HydrophobicContact CG2-CG2 4.45Å; H298-T300 PolarHBondContact CD2-OG1 3.4Å; T300-V307 WeakPolarHBondContact O-CA 3.38Å; T300-W308 PolarHBondContact N-O 2.88Å; T300-W308 PolarHBondContact O-N 3.06Å
301	P	96.6	Very high	83.6	Confident	9 Å²	9	39 Å²	39	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	154.1	168.7	-20	31.9	0	0	0	111.3	I176 V280 G282 G306	I176-P301 HydrophobicContact CD1-CB 4.14Å; I176-P301 WeakPolarHBondContact CD1-O 3.4Å; V280-P301 HydrophobicContact CG1-CG 3.96Å; G282-P301 VanDerWaalsContact O-CD 3.26Å; G282-P301 WeakPolarHBondContact O-CD 3.43Å; G282-P301 VanDerWaalsContact O-CG 3.32Å; G282-P301 WeakPolarHBondContact O-CG 3.41Å; P301-G306 CarbonylContact C-O 3.57Å; P301-G306 WeakPolarHBondContact CA-O 3.4Å
302	R	96.2	Very high	84.3	Confident	44 Å²	44	30.4 Å²	30.4	17%	0.166	17%	0.174	C	C	.	.			trans	-120.8	160.1	-176.6	-61.4	-64.6	-62.5	-147.3	-3.6	110.6	N77 S78 D304 G305 G306 W308	N77-R302 PolarHBondContact O-NH1 2.84Å; S78-R302 PolarHBondContact O-NH1 3.15Å; R302-D304 WeakPolarHBondContact CB-OD1 3.19Å; R302-D304 PolarHBondContact O-N 3.05Å; R302-G305 PolarHBondContact O-N 2.78Å; R302-G305 VanDerWaalsContact O-N 3.09Å; R302-G306 VanDerWaalsContact CB-O 3.31Å; R302-G306 WeakPolarHBondContact CB-O 3.13Å; R302-G306 WeakPolarHBondContact CG-O 3.38Å; R302-G306 PolarHBondContact N-O 3.39Å; R302-W308 HydrophobicContact CG-CD2 4.39Å; R302-W308 HydrophobicContact CG-CG 4.02Å; R302-W308 VanDerWaalsContact NH2-CZ2 3.34Å
303	M	96.5	Very high	84.9	Confident	69 Å²	69	30.2 Å²	30.2	34%	0.34	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.7	179	-68.8	-54.8	-58	0	0	113	P114 K116 I176 G305	P114-M303 HydrophobicContact CB-CE 3.91Å; K116-M303 HydrophobicContact CB-SD 4.25Å; I176-M303 HydrophobicContact CB-SD 4.48Å; I176-M303 HydrophobicContact CD1-SD 3.97Å; I176-M303 HydrophobicContact CG1-SD 3.77Å; M303-G305 VanDerWaalsContact C-N 3.25Å; M303-G305 PolarHBondContact O-N 2.89Å
304	D	94.3	Very high	86.2	Confident	129 Å²	129	27.8 Å²	27.8	69%	0.69	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	3.5	174.6	63.1	0.7	0	0	0	113.5	R302 G306	R302-D304 WeakPolarHBondContact CB-OD1 3.19Å; R302-D304 PolarHBondContact O-N 3.05Å; D304-G306 VanDerWaalsContact C-N 3.31Å; D304-G306 PolarHBondContact OD1-N 3.46Å
305	G	94.3	Very high	87.6	Confident	46 Å²	46	26.2 Å²	26.2	47%	0.474	16%	0.157	S	C	.	.	S	Bend	trans	88.2	-11.8	-176.5	0	0	0	0	0	114.5	H277 R302 M303	H277-G305 PolarHBondContact ND1-O 3.44Å; R302-G305 PolarHBondContact O-N 2.78Å; R302-G305 VanDerWaalsContact O-N 3.09Å; M303-G305 VanDerWaalsContact C-N 3.25Å; M303-G305 PolarHBondContact O-N 2.89Å
306	G	95.9	Very high	88.9	Confident	12 Å²	12	24.5 Å²	24.5	12%	0.124	15%	0.149	C	C	.	.			trans	-64.5	166.1	176.1	0	0	0	0	0	113.6	P301 R302 D304	P301-G306 CarbonylContact C-O 3.57Å; P301-G306 WeakPolarHBondContact CA-O 3.4Å; R302-G306 VanDerWaalsContact CB-O 3.31Å; R302-G306 WeakPolarHBondContact CB-O 3.13Å; R302-G306 WeakPolarHBondContact CG-O 3.38Å; R302-G306 PolarHBondContact N-O 3.39Å; D304-G306 VanDerWaalsContact C-N 3.31Å; D304-G306 PolarHBondContact OD1-N 3.46Å
307	V	97.1	Very high	90	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.3	173.7	-176.9	0	0	0	0	109.2	V271 L272 H277 V280 F299 T300 L309	V271-V307 WeakPolarHBondContact CA-O 3.48Å; L272-V307 HydrophobicContact CB-CB 4.18Å; L272-V307 HydrophobicContact CD1-CB 3.81Å; L272-V307 HydrophobicContact CD1-CG1 3.8Å; L272-V307 HydrophobicContact CD1-CG2 4.32Å; L272-V307 HydrophobicContact CG-CB 4.18Å; L272-V307 HydrophobicContact CG-CG1 4.34Å; L272-V307 PolarHBondContact N-O 3.12Å; H277-V307 HydrophobicContact CB-CG2 4.47Å; V280-V307 HydrophobicContact CB-CG1 4.01Å; V280-V307 HydrophobicContact CB-CG2 4.2Å; V280-V307 HydrophobicContact CG1-CG1 4.08Å; V280-V307 HydrophobicContact CG2-CG1 4.03Å; F299-V307 HydrophobicContact CB-CG1 4.34Å; T300-V307 WeakPolarHBondContact O-CA 3.38Å; V307-L309 HydrophobicContact CG1-CD2 4.2Å
308	W	95.6	Very high	90.7	Very high	30 Å²	30	30 Å²	30	11%	0.114	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.1	177.4	-68.4	14.7	0	0	0	110.4	N77 Y269 L270 V271 F299 T300 R302 P385	N77-W308 WeakPolarHBondContact O-CZ3 3.45Å; Y269-W308 HydrophobicContact CD1-CB 4.03Å; Y269-W308 AromaticContact CD1-CE3 3.85Å; Y269-W308 HydrophobicContact CD1-CE3 3.85Å; Y269-W308 AromaticContact CD2-CE3 3.94Å; Y269-W308 HydrophobicContact CD2-CE3 3.94Å; Y269-W308 HydrophobicContact CD2-CZ3 4.14Å; Y269-W308 HydrophobicContact CE1-CE3 4.12Å; Y269-W308 HydrophobicContact CE2-CE3 4.21Å; Y269-W308 HydrophobicContact CE2-CZ3 4.25Å; Y269-W308 HydrophobicContact CG-CD2 4.48Å; Y269-W308 AromaticContact CG-CE3 3.75Å; Y269-W308 HydrophobicContact CG-CE3 3.75Å; Y269-W308 HydrophobicContact CG-CZ3 4.4Å; L270-W308 CarbonylContact O-C 3.58Å; L270-W308 WeakPolarHBondContact O-CA 3.27Å; V271-W308 HydrophobicContact CG1-CG 4.29Å; F299-W308 CarbonylContact C-O 3.5Å; F299-W308 WeakPolarHBondContact CA-O 3.26Å; T300-W308 PolarHBondContact N-O 2.88Å; T300-W308 PolarHBondContact O-N 3.06Å; R302-W308 HydrophobicContact CG-CD2 4.39Å; R302-W308 HydrophobicContact CG-CG 4.02Å; R302-W308 VanDerWaalsContact NH2-CZ2 3.34Å; W308-P385 HydrophobicContact CD2-CG 4.09Å; W308-P385 HydrophobicContact CE3-CG 4.05Å; W308-P385 HydrophobicContact CH2-CB 4.11Å; W308-P385 HydrophobicContact CH2-CG 3.16Å; W308-P385 HydrophobicContact CZ2-CB 4.41Å; W308-P385 HydrophobicContact CZ2-CG 3.2Å; W308-P385 HydrophobicContact CZ3-CG 3.6Å
309	L	93.8	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.1	178	-41	177.5	0	0	0	109.1	Y269 L270 L272 H298 F299 V307 L369 L376 V381	Y269-L309 CarbonylContact C-O 3.5Å; Y269-L309 WeakPolarHBondContact CA-O 3.36Å; L270-L309 HydrophobicContact CB-CB 4.09Å; L270-L309 HydrophobicContact CB-CD1 4.32Å; L270-L309 HydrophobicContact CB-CG 4.43Å; L270-L309 PolarHBondContact N-O 3.35Å; L270-L309 PolarHBondContact O-N 3.19Å; L272-L309 HydrophobicContact CD1-CD2 4.36Å; L272-L309 HydrophobicContact CD2-CD1 3.85Å; L272-L309 HydrophobicContact CD2-CD2 4.46Å; L272-L309 HydrophobicContact CG-CD1 4.16Å; L272-L309 HydrophobicContact CG-CD2 4.06Å; L272-L309 HydrophobicContact CG-CG 4.32Å; H298-L309 CarbonylContact O-C 3.54Å; H298-L309 VanDerWaalsContact O-CA 3.26Å; H298-L309 WeakPolarHBondContact O-CA 3.5Å; F299-L309 HydrophobicContact CB-CD2 4.2Å; F299-L309 HydrophobicContact CD1-CD2 3.11Å; F299-L309 HydrophobicContact CE1-CD2 3.6Å; F299-L309 HydrophobicContact CG-CD2 3.85Å; V307-L309 HydrophobicContact CG1-CD2 4.2Å; L309-L369 HydrophobicContact CB-CD1 4Å; L309-L369 HydrophobicContact CD1-CD1 3.96Å; L309-L376 HydrophobicContact CD1-CD2 4.39Å; L309-V381 HydrophobicContact CD1-CG1 3.43Å; L309-V381 VanDerWaalsContact CD1-CG1 3.43Å
310	G	87.7	Confident	90.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.7	-153.5	-175.3	0	0	0	0	0	111.8	H298	H298-G310 PolarHBondContact CD2-O 2.69Å; H298-G310 PolarHBondContact CE1-O 2.86Å; H298-G310 PolarHBondContact N-O 3.09Å; H298-G310 PolarHBondContact ND1-O 2.82Å; H298-G310 PolarHBondContact NE2-O 2.96Å; H298-G310 PolarHBondContact O-N 3.24Å
311	P	84.6	Confident	90.6	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.058	17%	0.167	C	C	.	.			cis	-77.7	160.7	-5.8	34	-30.8	0	0	0	111.5	D268 Y269 H298	D268-P311 WeakPolarHBondContact O-CA 3.41Å; Y269-P311 HydrophobicContact CD1-CB 4.21Å; Y269-P311 HydrophobicContact CD2-CB 4.18Å; Y269-P311 HydrophobicContact CE1-CB 3.81Å; Y269-P311 HydrophobicContact CE1-CG 3.95Å; Y269-P311 VanDerWaalsContact CE1-N 3.32Å; Y269-P311 HydrophobicContact CE2-CB 3.76Å; Y269-P311 HydrophobicContact CE2-CG 4.25Å; Y269-P311 HydrophobicContact CG-CB 4.39Å; Y269-P311 WeakPolarHBondContact OH-CG 3.2Å; H298-P311 WeakPolarHBondContact CE1-CD 3.35Å
312	N	80.7	Confident	90.3	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.027	17%	0.169	C	C	.	.			trans	-72.1	-178.5	154.1	66.9	4.1	0	0	0	109.8	G267 D268 E355 G359	G267-N312 WeakPolarHBondContact CA-O 2.99Å; D268-N312 WeakPolarHBondContact CB-OD1 3.31Å; D268-N312 PolarHBondContact N-OD1 2.69Å; D268-N312 PolarHBondContact O-N 3.12Å; N312-E355 WeakPolarHBondContact CB-OE2 3.32Å; N312-G359 VanDerWaalsContact ND2-CA 3.31Å; N312-G359 WeakPolarHBondContact ND2-CA 3.1Å
313	A	77.8	Confident	89.9	Confident	25 Å²	25	35.3 Å²	35.3	21%	0.207	19%	0.19	C	C	.	.			trans	-133.7	120.8	163.7	0	0	0	0	0	112	L295 E355	L295-A313 HydrophobicContact CD2-CB 3.44Å; L295-A313 VanDerWaalsContact CD2-CB 3.44Å; L295-A313 HydrophobicContact CG-CB 4.33Å; A313-E355 PolarHBondContact N-OE2 3.37Å
314	V	82.2	Confident	89.1	Confident	19 Å²	19	37.3 Å²	37.3	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.3	177.1	-60	0	0	0	0	109.9	F265 R266 A316	F265-V314 CarbonylContact C-O 3.58Å; F265-V314 WeakPolarHBondContact CA-O 3.07Å; R266-V314 HydrophobicContact CB-CG2 3.98Å; R266-V314 PolarHBondContact N-O 2.9Å; R266-V314 WeakPolarHBondContact O-CG2 3.45Å; R266-V314 PolarHBondContact O-N 3.48Å; V314-A316 PolarHBondContact O-N 3.48Å
315	L	84	Confident	88.6	Confident	56 Å²	56	41.5 Å²	41.5	29%	0.293	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	129.4	174.9	-177.4	65.6	0	0	0	109.3	V263 F265 F317 L341	V263-L315 HydrophobicContact CG1-CD1 3.43Å; V263-L315 VanDerWaalsContact CG1-CD1 3.43Å; F265-L315 HydrophobicContact CZ-CD1 4.44Å; L315-F317 HydrophobicContact CD2-CE1 4.15Å; L315-F317 HydrophobicContact CG-CE1 4.38Å; L315-L341 HydrophobicContact CD1-CD1 4.45Å; L315-L341 HydrophobicContact CD1-CD2 4.23Å; L315-L341 HydrophobicContact CD2-CD2 4.12Å
316	A	86.9	Confident	88.4	Confident	4 Å²	4	41.2 Å²	41.2	3%	0.033	20%	0.197	C	C	.	.			trans	-91.3	140.5	174.3	0	0	0	0	0	110.4	P264 R266 V314 K318	P264-A316 HydrophobicContact CB-CB 4.01Å; P264-A316 HydrophobicContact CG-CB 4.09Å; P264-A316 PolarHBondContact O-N 3.5Å; R266-A316 HydrophobicContact CB-CB 4.12Å; V314-A316 PolarHBondContact O-N 3.48Å; A316-K318 VanDerWaalsContact C-N 3.28Å; A316-K318 WeakPolarHBondContact CB-O 3.35Å
317	F	87.5	Confident	88.3	Confident	93 Å²	93	46.1 Å²	46.1	41%	0.408	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-93.2	13.5	177.2	-55.2	-40.2	0	0	0	113.5	L315 F327 N328 F332	L315-F317 HydrophobicContact CD2-CE1 4.15Å; L315-F317 HydrophobicContact CG-CE1 4.38Å; F317-F327 HydrophobicContact CB-CD2 3.68Å; F317-F327 HydrophobicContact CB-CE2 4.17Å; F317-F327 HydrophobicContact CD2-CD2 4.38Å; F317-F327 HydrophobicContact CG-CD2 4.36Å; F317-N328 PolarHBondContact O-N 3.22Å; F317-F332 HydrophobicContact CB-CD2 4.13Å; F317-F332 AromaticContact CD1-CD2 3.66Å; F317-F332 HydrophobicContact CD1-CD2 3.66Å; F317-F332 AromaticContact CD1-CE2 3.85Å; F317-F332 HydrophobicContact CD1-CE2 3.85Å; F317-F332 HydrophobicContact CE1-CD2 4.26Å; F317-F332 AromaticContact CE1-CE2 3.98Å; F317-F332 HydrophobicContact CE1-CE2 3.98Å; F317-F332 AromaticContact CG-CD2 3.96Å; F317-F332 HydrophobicContact CG-CD2 3.96Å; F317-F332 HydrophobicContact CG-CE2 4.27Å
318	K	92.7	Very high	88.2	Confident	60 Å²	60	48.8 Å²	48.8	26%	0.261	23%	0.229	S	C	.	.	S	Bend	trans	-149.4	139.7	172.9	-177.8	-178.4	177	-163.2	0	107	A316 E320 G321 D326 N328 D331	A316-K318 VanDerWaalsContact C-N 3.28Å; A316-K318 WeakPolarHBondContact CB-O 3.35Å; K318-E320 PolarHBondContact O-N 3.39Å; K318-G321 PolarHBondContact O-N 3.19Å; K318-D326 HydrophobicContact CB-CB 4.41Å; K318-D326 HydrophobicContact CD-CB 4.17Å; K318-N328 HydrophobicContact CB-CB 4.08Å; K318-N328 HydrophobicContact CD-CB 4.43Å; K318-N328 HydrophobicContact CG-CB 3.85Å; K318-D331 WeakPolarHBondContact CA-OD2 3.47Å
319	R	92.1	Very high	88.1	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.015	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.3	177.1	-76.7	171	178.5	-111.4	3.2	111.6	L245 Y246 D248 I262 P264 D331 D334 V388	L245-R319 HydrophobicContact CB-CB 4.45Å; L245-R319 WeakPolarHBondContact CD1-O 3.19Å; L245-R319 WeakPolarHBondContact CD2-O 3.07Å; L245-R319 WeakPolarHBondContact O-CD 3.5Å; L245-R319 PolarHBondContact O-NH1 3.06Å; Y246-R319 HydrophobicContact CE2-CB 4.26Å; D248-R319 IonicContact OD1-CZ 3.14Å; D248-R319 IonicContact OD1-NH1 3.44Å; D248-R319 PolarHBondContact OD1-NH1 3.45Å; D248-R319 IonicContact OD1-NH2 3.64Å; D248-R319 PolarHBondContact OD1-NH2 3.16Å; D248-R319 IonicContact OD2-CZ 2.56Å; D248-R319 IonicContact OD2-NH1 3.04Å; D248-R319 PolarHBondContact OD2-NH1 3.33Å; D248-R319 IonicContact OD2-NH2 3.13Å; D248-R319 PolarHBondContact OD2-NH2 2.74Å; I262-R319 PolarHBondContact O-NH2 3.4Å; P264-R319 HydrophobicContact CG-CG 4.3Å; R319-D331 PolarHBondContact N-OD2 2.9Å; R319-D334 IonicContact NH2-OD2 2.76Å; R319-D334 PolarHBondContact NH2-OD2 2.64Å; R319-V388 WeakPolarHBondContact O-CG1 3.4Å
320	E	93.8	Very high	88	Confident	23 Å²	23	59 Å²	59	11%	0.107	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	48.1	173.8	-65.8	170.8	168	0	0	110.9	K65 H72 L245 Y246 K318 Y322	K65-E320 WeakPolarHBondContact CE-OE1 3.42Å; K65-E320 IonicContact NZ-OE1 3.18Å; K65-E320 PolarHBondContact NZ-OE1 2.82Å; K65-E320 IonicContact NZ-OE2 2.67Å; K65-E320 PolarHBondContact NZ-OE2 3.09Å; H72-E320 IonicContact CD2-OE1 2.95Å; H72-E320 IonicContact CE1-OE1 2.66Å; H72-E320 PolarHBondContact CE1-OE1 3.36Å; H72-E320 IonicContact CE1-OE2 3.47Å; H72-E320 IonicContact ND1-OE1 2.6Å; H72-E320 IonicContact NE2-OE1 2.87Å; H72-E320 PolarHBondContact NE2-OE1 3.41Å; H72-E320 VanDerWaalsContact NE2-OE1 3.08Å; L245-E320 HydrophobicContact CD1-CG 4.23Å; Y246-E320 HydrophobicContact CE2-CG 3.96Å; Y246-E320 WeakPolarHBondContact CE2-OE1 3.49Å; Y246-E320 VanDerWaalsContact OH-CD 3.29Å; Y246-E320 PolarHBondContact OH-OE2 3.03Å; K318-E320 PolarHBondContact O-N 3.39Å; E320-Y322 HydrophobicContact CB-CD2 4.35Å; E320-Y322 HydrophobicContact CB-CE2 3.9Å; E320-Y322 HydrophobicContact CG-CE2 4.3Å; E320-Y322 PolarHBondContact O-N 3.06Å
321	G	92	Very high	88.2	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.01	28%	0.284	C	S	.	.			trans	-87	79.7	176.6	0	0	0	0	0	111.3	R266 K318 D326 V388	R266-G321 WeakPolarHBondContact CD-O 3.44Å; K318-G321 PolarHBondContact O-N 3.19Å; G321-D326 VanDerWaalsContact CA-CB 3.5Å; G321-D326 WeakPolarHBondContact CA-OD2 3.46Å; G321-V388 WeakPolarHBondContact O-CG2 3.2Å
322	Y	90.5	Very high	88.4	Confident	25 Å²	25	62 Å²	62	10%	0.098	29%	0.294	C	S	.	.			trans	-84.4	-17.9	178.5	-64.6	-78.8	0	0	0	112.1	H72 H76 E320 D326 T386 V388	H72-Y322 VanDerWaalsContact CA-OH 3.27Å; H72-Y322 WeakPolarHBondContact CA-OH 3.33Å; H72-Y322 VanDerWaalsContact CB-OH 3.23Å; H72-Y322 WeakPolarHBondContact CB-OH 3.49Å; H72-Y322 AromaticContact ND1-CE2 3.94Å; H72-Y322 PolarHBondContact ND1-OH 2.86Å; H76-Y322 HydrophobicContact CB-CE1 3.96Å; H76-Y322 AromaticContact CE1-CD1 3.94Å; H76-Y322 AromaticContact CG-CE1 3.66Å; H76-Y322 AromaticContact ND1-CD1 3.65Å; H76-Y322 AromaticContact ND1-CE1 3.77Å; E320-Y322 HydrophobicContact CB-CD2 4.35Å; E320-Y322 HydrophobicContact CB-CE2 3.9Å; E320-Y322 HydrophobicContact CG-CE2 4.3Å; E320-Y322 PolarHBondContact O-N 3.06Å; Y322-D326 PolarHBondContact N-OD2 2.96Å; Y322-T386 WeakPolarHBondContact CA-OG1 3.23Å; Y322-T386 WeakPolarHBondContact O-CB 3.36Å; Y322-T386 VanDerWaalsContact O-CG2 3.29Å; Y322-T386 WeakPolarHBondContact O-CG2 3.49Å; Y322-T386 PolarHBondContact O-OG1 3.04Å; Y322-V388 HydrophobicContact CD1-CG2 3.8Å; Y322-V388 HydrophobicContact CE1-CB 4.23Å; Y322-V388 HydrophobicContact CE1-CG2 3.79Å; Y322-V388 HydrophobicContact CG-CG2 4.31Å
323	H	88.2	Confident	88.9	Confident	129 Å²	129	64.3 Å²	64.3	60%	0.597	31%	0.314	S	S	*	.	S	Bend	trans	-106.3	161.5	176.3	-56.5	-68.3	0	0	0	112.4	R266 Y325 D326	R266-H323 PolarHBondContact NH1-O 3.02Å; H323-Y325 VanDerWaalsContact C-N 3.28Å; H323-Y325 PolarHBondContact O-N 2.85Å; H323-D326 IonicContact CD2-OD1 4Å; H323-D326 IonicContact CD2-OD2 3.08Å; H323-D326 PolarHBondContact CD2-OD2 3.45Å; H323-D326 IonicContact CG-OD2 3.26Å; H323-D326 PolarHBondContact N-OD2 3.05Å; H323-D326 PolarHBondContact O-N 2.85Å
324	L	79.1	Confident	89.4	Confident	112 Å²	112	65.1 Å²	65.1	59%	0.586	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-39.9	-179.3	-87.3	154.7	0	0	0	113.4	R266	R266-L324 VanDerWaalsContact NH1-CA 3.28Å
325	Y	84.8	Confident	89.6	Confident	216 Å²	216	65 Å²	65	85%	0.847	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	8.9	-174.2	-52.7	-68.3	0	0	0	113.3	H323 F327	H323-Y325 VanDerWaalsContact C-N 3.28Å; H323-Y325 PolarHBondContact O-N 2.85Å; Y325-F327 PolarHBondContact O-N 3.1Å
326	D	90.6	Very high	89.8	Confident	40 Å²	40	67 Å²	67	21%	0.214	33%	0.326	C	S	.	.			trans	-65.7	120.5	176.5	-81.1	-20.1	0	0	0	110.3	K318 G321 Y322 H323	K318-D326 HydrophobicContact CB-CB 4.41Å; K318-D326 HydrophobicContact CD-CB 4.17Å; G321-D326 VanDerWaalsContact CA-CB 3.5Å; G321-D326 WeakPolarHBondContact CA-OD2 3.46Å; Y322-D326 PolarHBondContact N-OD2 2.96Å; H323-D326 IonicContact CD2-OD1 4Å; H323-D326 IonicContact CD2-OD2 3.08Å; H323-D326 PolarHBondContact CD2-OD2 3.45Å; H323-D326 IonicContact CG-OD2 3.26Å; H323-D326 PolarHBondContact N-OD2 3.05Å; H323-D326 PolarHBondContact O-N 2.85Å
327	F	92.1	Very high	89.9	Confident	115 Å²	115	70.5 Å²	70.5	50%	0.504	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-135.8	139.1	-175.9	-175.3	-94.2	0	0	0	110.8	F317 Y325 A329 F332	F317-F327 HydrophobicContact CB-CD2 3.68Å; F317-F327 HydrophobicContact CB-CE2 4.17Å; F317-F327 HydrophobicContact CD2-CD2 4.38Å; F317-F327 HydrophobicContact CG-CD2 4.36Å; Y325-F327 PolarHBondContact O-N 3.1Å; F327-A329 HydrophobicContact CE1-CB 4.09Å; F327-F332 HydrophobicContact CE2-CB 3.77Å; F327-F332 AromaticContact CE2-CD1 3.94Å; F327-F332 HydrophobicContact CE2-CD1 3.94Å; F327-F332 AromaticContact CE2-CD2 3.81Å; F327-F332 HydrophobicContact CE2-CD2 3.81Å; F327-F332 HydrophobicContact CE2-CE1 4.45Å; F327-F332 HydrophobicContact CE2-CE2 4.35Å; F327-F332 AromaticContact CE2-CG 3.57Å; F327-F332 HydrophobicContact CE2-CG 3.57Å; F327-F332 HydrophobicContact CZ-CB 3.8Å; F327-F332 AromaticContact CZ-CD1 3.8Å; F327-F332 HydrophobicContact CZ-CD1 3.8Å; F327-F332 HydrophobicContact CZ-CD2 4.46Å; F327-F332 HydrophobicContact CZ-CE1 4.46Å; F327-F332 AromaticContact CZ-CG 3.78Å; F327-F332 HydrophobicContact CZ-CG 3.78Å
328	N	95	Very high	90.1	Very high	58 Å²	58	66.6 Å²	66.6	31%	0.31	33%	0.333	S	S	.	.			trans	-135.6	120.7	168.9	179.9	-78.9	0	0	0	109.5	F317 K318 R330 D331 F332	F317-N328 PolarHBondContact O-N 3.22Å; K318-N328 HydrophobicContact CB-CB 4.08Å; K318-N328 HydrophobicContact CD-CB 4.43Å; K318-N328 HydrophobicContact CG-CB 3.85Å; N328-R330 VanDerWaalsContact C-N 3.29Å; N328-R330 PolarHBondContact O-N 3.39Å; N328-R330 WeakPolarHBondContact OD1-CA 3.48Å; N328-R330 WeakPolarHBondContact OD1-CB 2.83Å; N328-R330 PolarHBondContact OD1-N 3.22Å; N328-D331 HydrophobicContact CB-CB 4.03Å; N328-D331 PolarHBondContact O-N 3.4Å; N328-D331 PolarHBondContact OD1-N 3.3Å; N328-F332 WeakPolarHBondContact O-CB 3.38Å; N328-F332 PolarHBondContact O-N 3.38Å
329	A	93.2	Very high	90.1	Very high	65 Å²	65	72.7 Å²	72.7	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-37.2	-174.8	0	0	0	0	0	113.1	F327 A333	F327-A329 HydrophobicContact CE1-CB 4.09Å; A329-A333 VanDerWaalsContact O-CB 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.38Å; A329-A333 PolarHBondContact O-N 3.03Å
330	R	92.1	Very high	90	Very high	180 Å²	180	72.5 Å²	72.5	68%	0.679	35%	0.354	S	S	*	.	H	α-helix	trans	-67.9	-47.4	178	-177.4	-177.5	-180	-176.3	0.9	111	N328 F332 D334	N328-R330 VanDerWaalsContact C-N 3.29Å; N328-R330 PolarHBondContact O-N 3.39Å; N328-R330 WeakPolarHBondContact OD1-CA 3.48Å; N328-R330 WeakPolarHBondContact OD1-CB 2.83Å; N328-R330 PolarHBondContact OD1-N 3.22Å; R330-F332 VanDerWaalsContact C-N 3.33Å; R330-D334 WeakPolarHBondContact O-CB 3.33Å; R330-D334 PolarHBondContact O-N 2.89Å
331	D	92	Very high	89.8	Confident	9 Å²	9	71.8 Å²	71.8	5%	0.048	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-40.8	177.6	-65.7	-9.1	0	0	0	111.3	R249 K318 R319 N328 D334 A335	R249-D331 IonicContact CZ-OD1 3.86Å; R249-D331 IonicContact NH1-OD1 3.51Å; R249-D331 PolarHBondContact NH1-OD1 2.94Å; R249-D331 IonicContact NH2-OD1 2.78Å; R249-D331 PolarHBondContact NH2-OD1 3.39Å; K318-D331 WeakPolarHBondContact CA-OD2 3.47Å; R319-D331 PolarHBondContact N-OD2 2.9Å; N328-D331 HydrophobicContact CB-CB 4.03Å; N328-D331 PolarHBondContact O-N 3.4Å; N328-D331 PolarHBondContact OD1-N 3.3Å; D331-D334 PolarHBondContact O-N 3.31Å; D331-A335 WeakPolarHBondContact O-CB 3.29Å; D331-A335 PolarHBondContact O-N 2.66Å
332	F	90	Very high	89.7	Confident	63 Å²	63	76 Å²	76	28%	0.276	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-48	178.3	-178	-108	0	0	0	112.4	F317 F327 N328 R330 D334 A335 L336	F317-F332 HydrophobicContact CB-CD2 4.13Å; F317-F332 AromaticContact CD1-CD2 3.66Å; F317-F332 HydrophobicContact CD1-CD2 3.66Å; F317-F332 AromaticContact CD1-CE2 3.85Å; F317-F332 HydrophobicContact CD1-CE2 3.85Å; F317-F332 HydrophobicContact CE1-CD2 4.26Å; F317-F332 AromaticContact CE1-CE2 3.98Å; F317-F332 HydrophobicContact CE1-CE2 3.98Å; F317-F332 AromaticContact CG-CD2 3.96Å; F317-F332 HydrophobicContact CG-CD2 3.96Å; F317-F332 HydrophobicContact CG-CE2 4.27Å; F327-F332 HydrophobicContact CE2-CB 3.77Å; F327-F332 AromaticContact CE2-CD1 3.94Å; F327-F332 HydrophobicContact CE2-CD1 3.94Å; F327-F332 AromaticContact CE2-CD2 3.81Å; F327-F332 HydrophobicContact CE2-CD2 3.81Å; F327-F332 HydrophobicContact CE2-CE1 4.45Å; F327-F332 HydrophobicContact CE2-CE2 4.35Å; F327-F332 AromaticContact CE2-CG 3.57Å; F327-F332 HydrophobicContact CE2-CG 3.57Å; F327-F332 HydrophobicContact CZ-CB 3.8Å; F327-F332 AromaticContact CZ-CD1 3.8Å; F327-F332 HydrophobicContact CZ-CD1 3.8Å; F327-F332 HydrophobicContact CZ-CD2 4.46Å; F327-F332 HydrophobicContact CZ-CE1 4.46Å; F327-F332 AromaticContact CZ-CG 3.78Å; F327-F332 HydrophobicContact CZ-CG 3.78Å; N328-F332 WeakPolarHBondContact O-CB 3.38Å; N328-F332 PolarHBondContact O-N 3.38Å; R330-F332 VanDerWaalsContact C-N 3.33Å; F332-D334 VanDerWaalsContact C-N 3.34Å; F332-D334 PolarHBondContact O-N 3Å; F332-A335 PolarHBondContact O-N 3.34Å; F332-L336 HydrophobicContact CD1-CD1 3.9Å; F332-L336 HydrophobicContact CD1-CG 4.48Å; F332-L336 HydrophobicContact CE1-CD1 3.29Å; F332-L336 HydrophobicContact CE1-CG 4.17Å; F332-L336 HydrophobicContact CE2-CD1 4.05Å; F332-L336 HydrophobicContact CE2-CG 4.19Å; F332-L336 HydrophobicContact CZ-CD1 3.39Å; F332-L336 HydrophobicContact CZ-CD2 4.47Å; F332-L336 HydrophobicContact CZ-CG 4.03Å; F332-L336 WeakPolarHBondContact O-CB 3.48Å; F332-L336 WeakPolarHBondContact O-CG 3.49Å; F332-L336 PolarHBondContact O-N 2.6Å
333	A	90.3	Very high	89.6	Confident	54 Å²	54	78.4 Å²	78.4	45%	0.446	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-39.7	176.4	0	0	0	0	0	112	A329 L336 S337	A329-A333 VanDerWaalsContact O-CB 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.38Å; A329-A333 PolarHBondContact O-N 3.03Å; A333-L336 PolarHBondContact O-N 2.72Å; A333-S337 VanDerWaalsContact O-CB 3.3Å; A333-S337 WeakPolarHBondContact O-CB 3.16Å; A333-S337 PolarHBondContact O-N 2.8Å; A333-S337 PolarHBondContact O-OG 3.42Å
334	D	88.3	Confident	89.6	Confident	42 Å²	42	73.8 Å²	73.8	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-41.7	175.5	-172.8	53.9	0	0	0	111.8	R261 R319 R330 D331 F332 S337 F338	R261-D334 IonicContact CZ-OD1 2.66Å; R261-D334 IonicContact NH1-OD1 2.83Å; R261-D334 PolarHBondContact NH1-OD1 2.9Å; R261-D334 IonicContact NH1-OD2 3.43Å; R319-D334 IonicContact NH2-OD2 2.76Å; R319-D334 PolarHBondContact NH2-OD2 2.64Å; R330-D334 WeakPolarHBondContact O-CB 3.33Å; R330-D334 PolarHBondContact O-N 2.89Å; D331-D334 PolarHBondContact O-N 3.31Å; F332-D334 VanDerWaalsContact C-N 3.34Å; F332-D334 PolarHBondContact O-N 3Å; D334-S337 PolarHBondContact O-OG 3.44Å; D334-F338 WeakPolarHBondContact O-CB 3.37Å; D334-F338 PolarHBondContact O-N 2.64Å
335	A	86.6	Confident	89.9	Confident	16 Å²	16	71.9 Å²	71.9	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-67.2	-48.6	175.8	0	0	0	0	0	112	D331 F332 S337 F338 L341	D331-A335 WeakPolarHBondContact O-CB 3.29Å; D331-A335 PolarHBondContact O-N 2.66Å; F332-A335 PolarHBondContact O-N 3.34Å; A335-S337 PolarHBondContact O-N 2.94Å; A335-F338 PolarHBondContact O-N 2.83Å; A335-L341 HydrophobicContact CB-CD2 3.81Å; A335-L341 WeakPolarHBondContact O-CD2 3.09Å
336	L	87	Confident	89.9	Confident	97 Å²	97	68 Å²	68	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-36.2	-177.9	-76.1	-174.3	0	0	0	113.5	F332 A333 F338 Q342	F332-L336 HydrophobicContact CD1-CD1 3.9Å; F332-L336 HydrophobicContact CD1-CG 4.48Å; F332-L336 HydrophobicContact CE1-CD1 3.29Å; F332-L336 HydrophobicContact CE1-CG 4.17Å; F332-L336 HydrophobicContact CE2-CD1 4.05Å; F332-L336 HydrophobicContact CE2-CG 4.19Å; F332-L336 HydrophobicContact CZ-CD1 3.39Å; F332-L336 HydrophobicContact CZ-CD2 4.47Å; F332-L336 HydrophobicContact CZ-CG 4.03Å; F332-L336 WeakPolarHBondContact O-CB 3.48Å; F332-L336 WeakPolarHBondContact O-CG 3.49Å; F332-L336 PolarHBondContact O-N 2.6Å; A333-L336 PolarHBondContact O-N 2.72Å; L336-F338 VanDerWaalsContact C-N 3.25Å; L336-F338 PolarHBondContact O-N 2.99Å; L336-Q342 PolarHBondContact O-NE2 2.98Å
337	S	90.8	Very high	89.6	Confident	79 Å²	79	73.3 Å²	73.3	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-76.1	-14	178.8	59.9	0	0	0	0	113.2	A333 D334 A335 R339	A333-S337 VanDerWaalsContact O-CB 3.3Å; A333-S337 WeakPolarHBondContact O-CB 3.16Å; A333-S337 PolarHBondContact O-N 2.8Å; A333-S337 PolarHBondContact O-OG 3.42Å; D334-S337 PolarHBondContact O-OG 3.44Å; A335-S337 PolarHBondContact O-N 2.94Å; S337-R339 PolarHBondContact O-N 3.35Å
338	F	91.4	Very high	89	Confident	11 Å²	11	70.2 Å²	70.2	5%	0.048	35%	0.353	C	S	.	.			trans	-79.6	112.6	-177	178.8	-137.1	0	0	0	112.6	R261 V263 D334 A335 L336 G340 L341 Q342 L393 D394	R261-F338 HydrophobicContact CB-CD1 4.27Å; R261-F338 HydrophobicContact CB-CE1 3.87Å; R261-F338 HydrophobicContact CB-CE2 4.35Å; R261-F338 HydrophobicContact CB-CZ 3.9Å; R261-F338 VanDerWaalsContact CD-CD2 3.47Å; R261-F338 HydrophobicContact CG-CD2 4.4Å; R261-F338 HydrophobicContact CG-CE2 4.15Å; R261-F338 HydrophobicContact CG-CZ 4.19Å; V263-F338 HydrophobicContact CG2-CD1 4.24Å; V263-F338 HydrophobicContact CG2-CE1 4.4Å; D334-F338 WeakPolarHBondContact O-CB 3.37Å; D334-F338 PolarHBondContact O-N 2.64Å; A335-F338 PolarHBondContact O-N 2.83Å; L336-F338 VanDerWaalsContact C-N 3.25Å; L336-F338 PolarHBondContact O-N 2.99Å; F338-G340 VanDerWaalsContact C-N 3.26Å; F338-G340 PolarHBondContact O-N 3.47Å; F338-L341 HydrophobicContact CB-CB 4.48Å; F338-L341 HydrophobicContact CD1-CB 3.83Å; F338-L341 PolarHBondContact O-N 3.25Å; F338-L341 VanDerWaalsContact O-N 3.1Å; F338-Q342 WeakPolarHBondContact O-CG 3.47Å; F338-Q342 PolarHBondContact O-N 2.97Å; F338-Q342 VanDerWaalsContact O-N 3.12Å; F338-L393 HydrophobicContact CE1-CB 3.8Å; F338-L393 HydrophobicContact CZ-CB 4.27Å; F338-D394 WeakPolarHBondContact CZ-O 3.48Å
339	R	92	Very high	88.1	Confident	187 Å²	187	70.5 Å²	70.5	71%	0.706	36%	0.357	S	S	*	.	H	α-helix	trans	-54.1	-36.6	178.3	-70.9	-175.6	173.2	178.9	-1.7	114.1	S337 Q342 K343	S337-R339 PolarHBondContact O-N 3.35Å; R339-Q342 PolarHBondContact O-N 3.33Å; R339-K343 WeakPolarHBondContact O-CG 3.43Å; R339-K343 PolarHBondContact O-N 2.96Å
340	G	90.2	Very high	87	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-44.9	178	0	0	0	0	0	112	F338 K343 L344 D394 G397	F338-G340 VanDerWaalsContact C-N 3.26Å; F338-G340 PolarHBondContact O-N 3.47Å; G340-K343 PolarHBondContact O-N 2.88Å; G340-L344 PolarHBondContact O-N 2.92Å; G340-D394 WeakPolarHBondContact CA-O 3.45Å; G340-G397 WeakPolarHBondContact O-CA 3.36Å
341	L	88.8	Confident	85.9	Confident	8 Å²	8	67.3 Å²	67.3	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-42.3	176.3	-177.7	57.7	0	0	0	111.9	V263 L315 A335 F338 K343 L344 V345	V263-L341 HydrophobicContact CG1-CD1 4.01Å; V263-L341 HydrophobicContact CG1-CD2 4.07Å; L315-L341 HydrophobicContact CD1-CD1 4.45Å; L315-L341 HydrophobicContact CD1-CD2 4.23Å; L315-L341 HydrophobicContact CD2-CD2 4.12Å; A335-L341 HydrophobicContact CB-CD2 3.81Å; A335-L341 WeakPolarHBondContact O-CD2 3.09Å; F338-L341 HydrophobicContact CB-CB 4.48Å; F338-L341 HydrophobicContact CD1-CB 3.83Å; F338-L341 PolarHBondContact O-N 3.25Å; F338-L341 VanDerWaalsContact O-N 3.1Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.96Å; L341-L344 HydrophobicContact CD1-CD2 4.26Å; L341-L344 PolarHBondContact O-N 2.94Å; L341-V345 HydrophobicContact CD1-CG2 3.95Å; L341-V345 HydrophobicContact CG-CG2 4.24Å; L341-V345 WeakPolarHBondContact O-CG2 3.31Å; L341-V345 PolarHBondContact O-N 2.92Å
342	Q	90.6	Very high	84.8	Confident	89 Å²	89	68.5 Å²	68.5	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-56.3	-47.7	176	-65.4	170.5	-4.5	0	0	111.3	L336 F338 R339 V345 L346	L336-Q342 PolarHBondContact O-NE2 2.98Å; F338-Q342 WeakPolarHBondContact O-CG 3.47Å; F338-Q342 PolarHBondContact O-N 2.97Å; F338-Q342 VanDerWaalsContact O-N 3.12Å; R339-Q342 PolarHBondContact O-N 3.33Å; Q342-V345 PolarHBondContact O-N 3.35Å; Q342-L346 WeakPolarHBondContact O-CB 3.42Å; Q342-L346 VanDerWaalsContact O-CG 3.24Å; Q342-L346 WeakPolarHBondContact O-CG 3.35Å; Q342-L346 PolarHBondContact O-N 2.84Å
343	K	89.3	Confident	84	Confident	77 Å²	77	70.8 Å²	70.8	34%	0.335	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-44.4	175.8	-75.5	175.9	176.1	171.3	0	112	R339 G340 L341 L346 R347 R395 D396	R339-K343 WeakPolarHBondContact O-CG 3.43Å; R339-K343 PolarHBondContact O-N 2.96Å; G340-K343 PolarHBondContact O-N 2.88Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.96Å; K343-L346 PolarHBondContact O-N 3.3Å; K343-R347 WeakPolarHBondContact O-CB 3.34Å; K343-R347 VanDerWaalsContact O-CG 3.25Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 3.44Å; K343-R395 PolarHBondContact NZ-O 3.49Å; K343-D396 WeakPolarHBondContact CD-O 3.44Å; K343-D396 IonicContact NZ-OD1 3.32Å; K343-D396 PolarHBondContact NZ-OD1 3.06Å
344	L	86.8	Confident	83	Confident	31 Å²	31	69 Å²	69	16%	0.162	36%	0.36	C	S	.	.	H	α-helix	trans	-59.8	-48.3	177.3	-179.7	76.4	0	0	0	111.1	F265 G340 L341 R347 N348 L393 G397	F265-L344 HydrophobicContact CZ-CD2 3.89Å; G340-L344 PolarHBondContact O-N 2.92Å; L341-L344 HydrophobicContact CD1-CD2 4.26Å; L341-L344 PolarHBondContact O-N 2.94Å; L344-R347 PolarHBondContact O-N 3.27Å; L344-N348 WeakPolarHBondContact O-CB 3.21Å; L344-N348 PolarHBondContact O-N 3.47Å; L344-N348 PolarHBondContact O-ND2 3.35Å; L344-L393 HydrophobicContact CB-CD2 4.29Å; L344-L393 HydrophobicContact CD2-CD2 3.96Å; L344-G397 WeakPolarHBondContact CD1-O 3.49Å
345	V	85.9	Confident	82.3	Confident	73 Å²	73	67.6 Å²	67.6	44%	0.442	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-48.5	-179.4	171.3	0	0	0	0	110.2	L341 Q342 R347 N348 V349	L341-V345 HydrophobicContact CD1-CG2 3.95Å; L341-V345 HydrophobicContact CG-CG2 4.24Å; L341-V345 WeakPolarHBondContact O-CG2 3.31Å; L341-V345 PolarHBondContact O-N 2.92Å; Q342-V345 PolarHBondContact O-N 3.35Å; V345-R347 VanDerWaalsContact C-N 3.28Å; V345-R347 PolarHBondContact O-N 2.9Å; V345-N348 CarbonylContact O-C 3.51Å; V345-N348 PolarHBondContact O-N 3.22Å; V345-V349 WeakPolarHBondContact O-CG2 3.09Å; V345-V349 PolarHBondContact O-N 3.15Å
346	L	85.5	Confident	81.5	Confident	134 Å²	134	72.9 Å²	72.9	70%	0.702	38%	0.376	S	S	*	.	H	α-helix	trans	-59.3	-37	179.4	-73.3	171.1	0	0	0	112.8	Q342 K343 N348	Q342-L346 WeakPolarHBondContact O-CB 3.42Å; Q342-L346 VanDerWaalsContact O-CG 3.24Å; Q342-L346 WeakPolarHBondContact O-CG 3.35Å; Q342-L346 PolarHBondContact O-N 2.84Å; K343-L346 PolarHBondContact O-N 3.3Å; L346-N348 VanDerWaalsContact C-N 3.28Å; L346-N348 PolarHBondContact O-N 3.08Å
347	R	83.5	Confident	80.7	Confident	151 Å²	151	74.2 Å²	74.2	57%	0.57	38%	0.375	S	S	*	.	H	α-helix	trans	-69.5	-23.5	175.5	-72.5	172.8	-178.7	175.3	2.7	113.2	K343 L344 V345 D396 N398	K343-R347 WeakPolarHBondContact O-CB 3.34Å; K343-R347 VanDerWaalsContact O-CG 3.25Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 3.44Å; L344-R347 PolarHBondContact O-N 3.27Å; V345-R347 VanDerWaalsContact C-N 3.28Å; V345-R347 PolarHBondContact O-N 2.9Å; R347-D396 PolarHBondContact NH1-O 3Å; R347-N398 PolarHBondContact NH1-OD1 3.25Å
348	N	79.2	Confident	79.8	Confident	50 Å²	50	72.9 Å²	72.9	27%	0.267	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	21.2	-167.9	-61	-71.3	0	0	0	114.2	F292 L344 V345 L346 T350 Y351 G352	F292-N348 HydrophobicContact CE1-CB 4.33Å; F292-N348 VanDerWaalsContact CE1-OD1 3.24Å; F292-N348 WeakPolarHBondContact CE1-OD1 3.48Å; L344-N348 WeakPolarHBondContact O-CB 3.21Å; L344-N348 PolarHBondContact O-N 3.47Å; L344-N348 PolarHBondContact O-ND2 3.35Å; V345-N348 CarbonylContact O-C 3.51Å; V345-N348 PolarHBondContact O-N 3.22Å; L346-N348 VanDerWaalsContact C-N 3.28Å; L346-N348 PolarHBondContact O-N 3.08Å; N348-T350 PolarHBondContact O-N 3.35Å; N348-Y351 PolarHBondContact O-N 3.09Å; N348-Y351 VanDerWaalsContact O-N 3.14Å; N348-G352 PolarHBondContact O-N 3.45Å
349	V	75.9	Confident	78.6	Confident	65 Å²	65	72.8 Å²	72.8	39%	0.394	36%	0.36	S	S	.	.	H	α-helix	trans	-55	-51.1	-172.5	178.2	0	0	0	0	112.8	V345 Y351 G352 I353	V345-V349 WeakPolarHBondContact O-CG2 3.09Å; V345-V349 PolarHBondContact O-N 3.15Å; V349-Y351 PolarHBondContact O-N 3.26Å; V349-G352 PolarHBondContact O-N 3.29Å; V349-I353 HydrophobicContact CG1-CD1 3.92Å; V349-I353 WeakPolarHBondContact O-CG1 3.1Å; V349-I353 PolarHBondContact O-N 3.44Å
350	T	71	Confident	77.6	Confident	127 Å²	127	68.5 Å²	68.5	78%	0.779	35%	0.354	S	S	*	.	H	α-helix	trans	-58.5	-37.3	-178.2	51.6	0	0	0	0	111.7	N348 G354	N348-T350 PolarHBondContact O-N 3.35Å; T350-G354 PolarHBondContact O-N 3.42Å
351	Y	67.8	Low	77.1	Confident	51 Å²	51	73.8 Å²	73.8	20%	0.2	38%	0.378	C	S	.	.	H	α-helix	trans	-75.2	-42.8	178.7	-170.9	-88.6	0	0	0	112.4	F292 L295 N348 V349 I353 G354 E355	F292-Y351 HydrophobicContact CB-CE1 4.49Å; F292-Y351 HydrophobicContact CB-CE2 4.27Å; F292-Y351 AromaticContact CD1-CD1 3.79Å; F292-Y351 HydrophobicContact CD1-CD1 3.79Å; F292-Y351 HydrophobicContact CD1-CD2 4.19Å; F292-Y351 AromaticContact CD1-CE1 3.86Å; F292-Y351 HydrophobicContact CD1-CE1 3.86Å; F292-Y351 HydrophobicContact CD1-CE2 4.23Å; F292-Y351 AromaticContact CD1-CG 3.96Å; F292-Y351 HydrophobicContact CD1-CG 3.96Å; F292-Y351 AromaticContact CD2-CD2 3.49Å; F292-Y351 HydrophobicContact CD2-CD2 3.49Å; F292-Y351 VanDerWaalsContact CD2-CD2 3.49Å; F292-Y351 AromaticContact CD2-CE2 3.41Å; F292-Y351 HydrophobicContact CD2-CE2 3.41Å; F292-Y351 VanDerWaalsContact CD2-CE2 3.41Å; F292-Y351 HydrophobicContact CD2-CG 4.07Å; F292-Y351 AromaticContact CD2-CZ 3.95Å; F292-Y351 AromaticContact CE1-CD1 3.69Å; F292-Y351 HydrophobicContact CE1-CD1 3.69Å; F292-Y351 HydrophobicContact CE1-CD2 4.01Å; F292-Y351 HydrophobicContact CE1-CE1 4.24Å; F292-Y351 AromaticContact CE1-CG 3.55Å; F292-Y351 HydrophobicContact CE1-CG 3.55Å; F292-Y351 HydrophobicContact CE2-CD1 4.47Å; F292-Y351 AromaticContact CE2-CD2 3.28Å; F292-Y351 HydrophobicContact CE2-CD2 3.28Å; F292-Y351 AromaticContact CE2-CE2 3.75Å; F292-Y351 HydrophobicContact CE2-CE2 3.75Å; F292-Y351 AromaticContact CE2-CG 3.68Å; F292-Y351 HydrophobicContact CE2-CG 3.68Å; F292-Y351 HydrophobicContact CG-CD1 4.24Å; F292-Y351 AromaticContact CG-CD2 3.96Å; F292-Y351 HydrophobicContact CG-CD2 3.96Å; F292-Y351 HydrophobicContact CG-CE1 4.02Å; F292-Y351 AromaticContact CG-CE2 3.69Å; F292-Y351 HydrophobicContact CG-CE2 3.69Å; F292-Y351 HydrophobicContact CG-CG 4.21Å; F292-Y351 AromaticContact CG-CZ 3.71Å; F292-Y351 VanDerWaalsContact CZ-CB 3.49Å; F292-Y351 HydrophobicContact CZ-CD1 4.06Å; F292-Y351 AromaticContact CZ-CD2 3.57Å; F292-Y351 HydrophobicContact CZ-CD2 3.57Å; F292-Y351 HydrophobicContact CZ-CE2 4.3Å; F292-Y351 AromaticContact CZ-CG 3.41Å; F292-Y351 HydrophobicContact CZ-CG 3.41Å; F292-Y351 VanDerWaalsContact CZ-CG 3.41Å; L295-Y351 HydrophobicContact CB-CE1 4.48Å; L295-Y351 WeakPolarHBondContact CB-OH 3.37Å; L295-Y351 HydrophobicContact CD1-CD1 4.46Å; L295-Y351 HydrophobicContact CD1-CE1 3.51Å; L295-Y351 HydrophobicContact CD2-CE1 3.85Å; L295-Y351 HydrophobicContact CG-CE1 4.14Å; N348-Y351 PolarHBondContact O-N 3.09Å; N348-Y351 VanDerWaalsContact O-N 3.14Å; V349-Y351 PolarHBondContact O-N 3.26Å; Y351-I353 VanDerWaalsContact C-N 3.3Å; Y351-I353 PolarHBondContact O-N 2.93Å; Y351-G354 WeakPolarHBondContact O-CA 3.29Å; Y351-G354 PolarHBondContact O-N 3Å; Y351-E355 HydrophobicContact CD1-CG 4.02Å; Y351-E355 HydrophobicContact CE1-CG 3.44Å; Y351-E355 VanDerWaalsContact CE1-CG 3.44Å; Y351-E355 PolarHBondContact O-N 3.16Å
352	G	70.6	Confident	76.8	Confident	34 Å²	34	75.3 Å²	75.3	35%	0.351	39%	0.386	S	S	.	.	H	α-helix	trans	-58	-41.6	176.2	0	0	0	0	0	112.4	N348 V349 G354 E355 M356	N348-G352 PolarHBondContact O-N 3.45Å; V349-G352 PolarHBondContact O-N 3.29Å; G352-G354 VanDerWaalsContact C-N 3.33Å; G352-G354 PolarHBondContact O-N 2.91Å; G352-E355 PolarHBondContact O-N 3.48Å; G352-M356 WeakPolarHBondContact O-CG 3.43Å; G352-M356 PolarHBondContact O-N 3.25Å
353	I	71.9	Confident	76.6	Confident	110 Å²	110	73 Å²	73	56%	0.564	39%	0.386	S	S	*	.	H	α-helix	trans	-61.6	-42.8	173.4	-66.3	169.4	0	0	0	110.7	V349 Y351 M356 Y357	V349-I353 HydrophobicContact CG1-CD1 3.92Å; V349-I353 WeakPolarHBondContact O-CG1 3.1Å; V349-I353 PolarHBondContact O-N 3.44Å; Y351-I353 VanDerWaalsContact C-N 3.3Å; Y351-I353 PolarHBondContact O-N 2.93Å; I353-M356 PolarHBondContact O-N 2.97Å; I353-Y357 WeakPolarHBondContact O-CB 3.49Å; I353-Y357 PolarHBondContact O-N 3.43Å
354	G	69.1	Low	76.3	Confident	17 Å²	17	70.5 Å²	70.5	18%	0.175	38%	0.379	C	S	.	.	H	α-helix	trans	-61.5	-42.3	176.6	0	0	0	0	0	113.4	T350 Y351 G352 Y357 R358	T350-G354 PolarHBondContact O-N 3.42Å; Y351-G354 WeakPolarHBondContact O-CA 3.29Å; Y351-G354 PolarHBondContact O-N 3Å; G352-G354 VanDerWaalsContact C-N 3.33Å; G352-G354 PolarHBondContact O-N 2.91Å; G354-Y357 PolarHBondContact O-N 3.03Å; G354-R358 VanDerWaalsContact C-CZ 3.47Å; G354-R358 WeakPolarHBondContact O-CB 3.17Å; G354-R358 VanDerWaalsContact O-CG 3.3Å; G354-R358 WeakPolarHBondContact O-CG 3.32Å; G354-R358 PolarHBondContact O-N 2.85Å; G354-R358 PolarHBondContact O-NE 3.47Å
355	E	73.6	Confident	76.2	Confident	12 Å²	12	69.1 Å²	69.1	6%	0.056	37%	0.372	C	S	.	.	H	α-helix	trans	-67.2	-41.9	175.8	-79.2	-63	111.4	0	0	112.2	L295 N312 A313 Y351 G352 R358 G359	L295-E355 HydrophobicContact CD2-CG 3.91Å; N312-E355 WeakPolarHBondContact CB-OE2 3.32Å; A313-E355 PolarHBondContact N-OE2 3.37Å; Y351-E355 HydrophobicContact CD1-CG 4.02Å; Y351-E355 HydrophobicContact CE1-CG 3.44Å; Y351-E355 VanDerWaalsContact CE1-CG 3.44Å; Y351-E355 PolarHBondContact O-N 3.16Å; G352-E355 PolarHBondContact O-N 3.48Å; E355-R358 PolarHBondContact O-N 2.9Å; E355-R358 IonicContact OE1-CZ 3.34Å; E355-R358 IonicContact OE1-NE 3.51Å; E355-R358 PolarHBondContact OE1-NE 3.3Å; E355-R358 IonicContact OE1-NH2 3.52Å; E355-R358 PolarHBondContact OE1-NH2 2.97Å; E355-G359 PolarHBondContact O-N 2.98Å
356	M	70.6	Confident	76.4	Confident	127 Å²	127	65.8 Å²	65.8	63%	0.626	35%	0.352	S	S	*	.	H	α-helix	trans	-61	-46.5	174.3	-73.2	-178.9	70.5	0	0	111.2	G352 I353 R358 G359 V360	G352-M356 WeakPolarHBondContact O-CG 3.43Å; G352-M356 PolarHBondContact O-N 3.25Å; I353-M356 PolarHBondContact O-N 2.97Å; M356-R358 VanDerWaalsContact C-N 3.32Å; M356-R358 PolarHBondContact O-N 3.14Å; M356-G359 PolarHBondContact O-N 3.07Å; M356-V360 WeakPolarHBondContact O-CG2 3.32Å; M356-V360 PolarHBondContact O-N 3.13Å
357	Y	70.7	Confident	76.5	Confident	125 Å²	125	66.8 Å²	66.8	49%	0.49	35%	0.351	S	S	.	.	H	α-helix	trans	-57.1	-45.8	174.8	176.3	-99.4	0	0	0	111.2	I353 G354 G359 V360 F361 A364	I353-Y357 WeakPolarHBondContact O-CB 3.49Å; I353-Y357 PolarHBondContact O-N 3.43Å; G354-Y357 PolarHBondContact O-N 3.03Å; Y357-G359 PolarHBondContact O-N 3.41Å; Y357-V360 PolarHBondContact O-N 3.3Å; Y357-F361 AromaticContact CD2-CD2 3.3Å; Y357-F361 HydrophobicContact CD2-CD2 3.3Å; Y357-F361 AromaticContact CD2-CE2 3.62Å; Y357-F361 HydrophobicContact CD2-CE2 3.62Å; Y357-F361 HydrophobicContact CD2-CG 4.26Å; Y357-F361 HydrophobicContact CE1-CB 4.5Å; Y357-F361 HydrophobicContact CE2-CB 4.35Å; Y357-F361 AromaticContact CE2-CD2 3.2Å; Y357-F361 HydrophobicContact CE2-CD2 3.2Å; Y357-F361 AromaticContact CE2-CE2 3.51Å; Y357-F361 HydrophobicContact CE2-CE2 3.51Å; Y357-F361 AromaticContact CE2-CG 3.81Å; Y357-F361 HydrophobicContact CE2-CG 3.81Å; Y357-F361 HydrophobicContact CE2-CZ 4.32Å; Y357-F361 HydrophobicContact CG-CD2 4.07Å; Y357-F361 AromaticContact CZ-CD2 3.93Å; Y357-F361 WeakPolarHBondContact O-CB 3.38Å; Y357-F361 WeakPolarHBondContact O-CD2 3.47Å; Y357-F361 PolarHBondContact O-N 3.48Å; Y357-A364 HydrophobicContact CD1-CB 4.19Å; Y357-A364 HydrophobicContact CE1-CB 3.62Å
358	R	71.8	Confident	76.7	Confident	51 Å²	51	62.6 Å²	62.6	19%	0.192	34%	0.339	C	S	.	.	H	α-helix	trans	-66.7	-33	177	-73.8	-177.1	-72.2	-92.3	6.7	113.5	G354 E355 M356 A364	G354-R358 VanDerWaalsContact C-CZ 3.47Å; G354-R358 WeakPolarHBondContact O-CB 3.17Å; G354-R358 VanDerWaalsContact O-CG 3.3Å; G354-R358 WeakPolarHBondContact O-CG 3.32Å; G354-R358 PolarHBondContact O-N 2.85Å; G354-R358 PolarHBondContact O-NE 3.47Å; E355-R358 PolarHBondContact O-N 2.9Å; E355-R358 IonicContact OE1-CZ 3.34Å; E355-R358 IonicContact OE1-NE 3.51Å; E355-R358 PolarHBondContact OE1-NE 3.3Å; E355-R358 IonicContact OE1-NH2 3.52Å; E355-R358 PolarHBondContact OE1-NH2 2.97Å; M356-R358 VanDerWaalsContact C-N 3.32Å; M356-R358 PolarHBondContact O-N 3.14Å; R358-A364 HydrophobicContact CG-CB 4.39Å
359	G	66.4	Low	77.3	Confident	9 Å²	9	60.2 Å²	60.2	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-36.2	175.3	0	0	0	0	0	112.9	N312 E355 M356 Y357 R383	N312-G359 VanDerWaalsContact ND2-CA 3.31Å; N312-G359 WeakPolarHBondContact ND2-CA 3.1Å; E355-G359 PolarHBondContact O-N 2.98Å; M356-G359 PolarHBondContact O-N 3.07Å; Y357-G359 PolarHBondContact O-N 3.41Å; G359-R383 PolarHBondContact O-NH1 2.82Å; G359-R383 PolarHBondContact O-NH2 3.05Å
360	V	71.1	Confident	78.2	Confident	97 Å²	97	60.5 Å²	60.5	59%	0.588	32%	0.323	S	S	*	.	H	α-helix	trans	-80.4	-49.8	178	176.8	0	0	0	0	111.2	M356 Y357 L362 R383	M356-V360 WeakPolarHBondContact O-CG2 3.32Å; M356-V360 PolarHBondContact O-N 3.13Å; Y357-V360 PolarHBondContact O-N 3.3Å; V360-L362 PolarHBondContact O-N 3.13Å; V360-R383 PolarHBondContact O-NH2 3.28Å
361	F	79.6	Confident	79.3	Confident	111 Å²	111	59.5 Å²	59.5	49%	0.487	31%	0.308	S	S	.	.			trans	-96	93.7	-174.6	-66.8	-83.8	0	0	0	112.1	Y357 G363 A364	Y357-F361 AromaticContact CD2-CD2 3.3Å; Y357-F361 HydrophobicContact CD2-CD2 3.3Å; Y357-F361 AromaticContact CD2-CE2 3.62Å; Y357-F361 HydrophobicContact CD2-CE2 3.62Å; Y357-F361 HydrophobicContact CD2-CG 4.26Å; Y357-F361 HydrophobicContact CE1-CB 4.5Å; Y357-F361 HydrophobicContact CE2-CB 4.35Å; Y357-F361 AromaticContact CE2-CD2 3.2Å; Y357-F361 HydrophobicContact CE2-CD2 3.2Å; Y357-F361 AromaticContact CE2-CE2 3.51Å; Y357-F361 HydrophobicContact CE2-CE2 3.51Å; Y357-F361 AromaticContact CE2-CG 3.81Å; Y357-F361 HydrophobicContact CE2-CG 3.81Å; Y357-F361 HydrophobicContact CE2-CZ 4.32Å; Y357-F361 HydrophobicContact CG-CD2 4.07Å; Y357-F361 AromaticContact CZ-CD2 3.93Å; Y357-F361 WeakPolarHBondContact O-CB 3.38Å; Y357-F361 WeakPolarHBondContact O-CD2 3.47Å; Y357-F361 PolarHBondContact O-N 3.48Å; F361-G363 PolarHBondContact O-N 2.86Å; F361-G363 VanDerWaalsContact O-N 3.16Å; F361-A364 HydrophobicContact CB-CB 4.43Å; F361-A364 WeakPolarHBondContact O-CB 3.19Å; F361-A364 PolarHBondContact O-N 2.87Å
362	L	82.7	Confident	80.6	Confident	41 Å²	41	57.7 Å²	57.7	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-50.1	-41.2	177.6	-71.9	177.8	0	0	0	113.4	L270 V360 A364 Q365 I366 L378	L270-L362 HydrophobicContact CD1-CD2 3.86Å; L270-L362 HydrophobicContact CD2-CD2 3.29Å; L270-L362 HydrophobicContact CG-CD2 4.21Å; V360-L362 PolarHBondContact O-N 3.13Å; L362-A364 PolarHBondContact O-N 3.06Å; L362-Q365 WeakPolarHBondContact O-CB 3.47Å; L362-Q365 PolarHBondContact O-N 2.88Å; L362-Q365 VanDerWaalsContact O-N 3.08Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 2.87Å; L362-L378 HydrophobicContact CB-CD1 3.68Å
363	G	84.8	Confident	81.8	Confident	40 Å²	40	56.1 Å²	56.1	41%	0.412	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-34.6	-179.6	0	0	0	0	0	113.6	F361 I366 K367	F361-G363 PolarHBondContact O-N 2.86Å; F361-G363 VanDerWaalsContact O-N 3.16Å; G363-I366 PolarHBondContact O-N 3.48Å; G363-K367 WeakPolarHBondContact O-CB 3.44Å; G363-K367 PolarHBondContact O-N 2.71Å
364	A	83.1	Confident	82.9	Confident	24 Å²	24	54.1 Å²	54.1	20%	0.198	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-38.3	177.4	0	0	0	0	0	111.9	Y357 R358 F361 L362 I368	Y357-A364 HydrophobicContact CD1-CB 4.19Å; Y357-A364 HydrophobicContact CE1-CB 3.62Å; R358-A364 HydrophobicContact CG-CB 4.39Å; F361-A364 HydrophobicContact CB-CB 4.43Å; F361-A364 WeakPolarHBondContact O-CB 3.19Å; F361-A364 PolarHBondContact O-N 2.87Å; L362-A364 PolarHBondContact O-N 3.06Å; A364-I368 PolarHBondContact O-N 2.92Å
365	Q	84.9	Confident	84.1	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-67.1	-42.3	175.6	-165.3	174.2	21.4	0	0	111.4	V297 L362 K367 I368 L369	V297-Q365 HydrophobicContact CG1-CG 4.03Å; V297-Q365 HydrophobicContact CG2-CG 3.98Å; L362-Q365 WeakPolarHBondContact O-CB 3.47Å; L362-Q365 PolarHBondContact O-N 2.88Å; L362-Q365 VanDerWaalsContact O-N 3.08Å; Q365-K367 VanDerWaalsContact C-N 3.35Å; Q365-K367 PolarHBondContact O-N 3.26Å; Q365-I368 PolarHBondContact O-N 2.92Å; Q365-L369 HydrophobicContact CG-CD1 4.49Å; Q365-L369 PolarHBondContact O-N 3.1Å; Q365-L369 VanDerWaalsContact O-N 3.15Å
366	I	89.8	Confident	85.1	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-40.3	177.2	-63.1	-64	0	0	0	111.5	L270 L362 G363 I368 L369 Q370 L376 L378 V381	L270-I366 HydrophobicContact CD1-CD1 4.16Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 2.87Å; G363-I366 PolarHBondContact O-N 3.48Å; I366-I368 PolarHBondContact O-N 2.8Å; I366-L369 HydrophobicContact CD1-CD1 4.21Å; I366-L369 PolarHBondContact O-N 2.77Å; I366-L369 VanDerWaalsContact O-N 3.07Å; I366-Q370 HydrophobicContact CG2-CG 4.2Å; I366-Q370 WeakPolarHBondContact O-CG 3.35Å; I366-Q370 PolarHBondContact O-N 3.23Å; I366-L376 HydrophobicContact CD1-CD2 3.92Å; I366-L376 HydrophobicContact CD1-CG 4.41Å; I366-L376 HydrophobicContact CG2-CD2 4.32Å; I366-L376 HydrophobicContact CG2-CG 4.33Å; I366-L378 HydrophobicContact CG1-CD1 4.16Å; I366-V381 HydrophobicContact CD1-CB 4.17Å; I366-V381 HydrophobicContact CD1-CG1 3.59Å; I366-V381 HydrophobicContact CD1-CG2 3.6Å; I366-V381 HydrophobicContact CG1-CG2 4.11Å
367	K	89.1	Confident	86.3	Confident	155 Å²	155	52.9 Å²	52.9	67%	0.674	27%	0.271	S	S	*	.	H	α-helix	trans	-59.1	-32.7	176.5	-169.2	172.3	-177.1	176.3	0	113.3	G363 Q365	G363-K367 WeakPolarHBondContact O-CB 3.44Å; G363-K367 PolarHBondContact O-N 2.71Å; Q365-K367 VanDerWaalsContact C-N 3.35Å; Q365-K367 PolarHBondContact O-N 3.26Å
368	I	87.6	Confident	87.3	Confident	62 Å²	62	51.5 Å²	51.5	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-72.8	-44.7	174.5	-66.3	169.6	0	0	0	110.5	A364 Q365 I366 Q370 K371	A364-I368 PolarHBondContact O-N 2.92Å; Q365-I368 PolarHBondContact O-N 2.92Å; I366-I368 PolarHBondContact O-N 2.8Å; I368-Q370 VanDerWaalsContact C-N 3.25Å; I368-Q370 PolarHBondContact O-N 2.93Å; I368-K371 VanDerWaalsContact O-CB 3.32Å; I368-K371 WeakPolarHBondContact O-CB 3.21Å; I368-K371 WeakPolarHBondContact O-CG 3.5Å; I368-K371 PolarHBondContact O-N 3.22Å; I368-K371 VanDerWaalsContact O-N 3.14Å
369	L	91.7	Very high	88.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-32	178.6	-73	166.4	0	0	0	112.7	V297 F299 L309 Q365 I366 K371 Y372 I373 L376	V297-L369 HydrophobicContact CB-CD2 4.04Å; V297-L369 HydrophobicContact CB-CG 4.37Å; V297-L369 HydrophobicContact CG1-CD1 3.73Å; V297-L369 HydrophobicContact CG1-CD2 3.51Å; V297-L369 HydrophobicContact CG1-CG 3.73Å; F299-L369 HydrophobicContact CD2-CD2 4.05Å; F299-L369 HydrophobicContact CE1-CD2 4.08Å; F299-L369 HydrophobicContact CE2-CB 4.44Å; F299-L369 HydrophobicContact CE2-CD2 3.37Å; F299-L369 HydrophobicContact CZ-CB 3.79Å; F299-L369 HydrophobicContact CZ-CD2 3.39Å; F299-L369 HydrophobicContact CZ-CG 4.14Å; L309-L369 HydrophobicContact CB-CD1 4Å; L309-L369 HydrophobicContact CD1-CD1 3.96Å; Q365-L369 HydrophobicContact CG-CD1 4.49Å; Q365-L369 PolarHBondContact O-N 3.1Å; Q365-L369 VanDerWaalsContact O-N 3.15Å; I366-L369 HydrophobicContact CD1-CD1 4.21Å; I366-L369 PolarHBondContact O-N 2.77Å; I366-L369 VanDerWaalsContact O-N 3.07Å; L369-K371 PolarHBondContact O-N 2.9Å; L369-Y372 PolarHBondContact O-N 2.82Å; L369-I373 PolarHBondContact O-N 3.41Å; L369-L376 HydrophobicContact CB-CD2 3.62Å; L369-L376 HydrophobicContact CD1-CD2 4.12Å
370	Q	94.4	Very high	89.8	Confident	72 Å²	72	52.8 Å²	52.8	34%	0.336	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.5	174.9	-79.3	177.6	-36.2	0	0	113.8	I366 I368 Y372 I373 P374 L376	I366-Q370 HydrophobicContact CG2-CG 4.2Å; I366-Q370 WeakPolarHBondContact O-CG 3.35Å; I366-Q370 PolarHBondContact O-N 3.23Å; I368-Q370 VanDerWaalsContact C-N 3.25Å; I368-Q370 PolarHBondContact O-N 2.93Å; Q370-Y372 PolarHBondContact O-N 3.22Å; Q370-I373 WeakPolarHBondContact CA-O 3.41Å; Q370-I373 CarbonylContact O-C 3.53Å; Q370-P374 WeakPolarHBondContact O-CA 3.41Å; Q370-L376 HydrophobicContact CG-CB 4.38Å; Q370-L376 VanDerWaalsContact CG-O 3.31Å; Q370-L376 WeakPolarHBondContact CG-O 3.21Å; Q370-L376 PolarHBondContact NE2-O 3.4Å
371	K	93.5	Very high	91	Very high	105 Å²	105	48.7 Å²	48.7	46%	0.457	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.9	171.2	-64.7	-168.9	168.7	-149.3	0	112.3	V125 E126 I368 L369	V125-K371 HydrophobicContact CG2-CB 4.2Å; V125-K371 HydrophobicContact CG2-CD 4.26Å; E126-K371 IonicContact OE1-NZ 2.87Å; E126-K371 PolarHBondContact OE1-NZ 3.22Å; I368-K371 VanDerWaalsContact O-CB 3.32Å; I368-K371 WeakPolarHBondContact O-CB 3.21Å; I368-K371 WeakPolarHBondContact O-CG 3.5Å; I368-K371 PolarHBondContact O-N 3.22Å; I368-K371 VanDerWaalsContact O-N 3.14Å; L369-K371 PolarHBondContact O-N 2.9Å
372	Y	95	Very high	91.6	Very high	14 Å²	14	47.6 Å²	47.6	6%	0.055	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-39.7	-179.4	-56.1	-82.2	0	0	0	111.9	L123 V125 C163 R164 P286 L369 Q370	L123-Y372 HydrophobicContact CB-CD1 3.82Å; L123-Y372 HydrophobicContact CB-CE1 3.82Å; L123-Y372 HydrophobicContact CD1-CD1 3.99Å; V125-Y372 HydrophobicContact CG1-CD1 3.62Å; V125-Y372 HydrophobicContact CG1-CE1 3.59Å; V125-Y372 HydrophobicContact CG1-CG 4.42Å; V125-Y372 HydrophobicContact CG2-CE1 4.2Å; C163-Y372 CarbonylContact C-O 3.54Å; C163-Y372 VanDerWaalsContact CA-O 3.24Å; C163-Y372 WeakPolarHBondContact CA-O 3.29Å; C163-Y372 PolarHBondContact SG-O 3.21Å; C163-Y372 VanDerWaalsContact SG-O 3.37Å; R164-Y372 PolarHBondContact N-O 3.07Å; P286-Y372 HydrophobicContact CB-CE1 4.42Å; P286-Y372 HydrophobicContact CB-CE2 4.45Å; P286-Y372 WeakPolarHBondContact CB-OH 3.32Å; L369-Y372 PolarHBondContact O-N 2.82Å; Q370-Y372 PolarHBondContact O-N 3.22Å
373	I	96.3	Very high	92	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.			trans	-130.1	90.7	178	-55.6	-174.5	0	0	0	109.1	L279 V280 I284 F299 L369 Q370 E375 L376	L279-I373 HydrophobicContact CB-CG2 4.45Å; L279-I373 HydrophobicContact CD1-CG2 4.41Å; L279-I373 HydrophobicContact CD2-CG2 4.33Å; V280-I373 HydrophobicContact CG2-CD1 3.6Å; I284-I373 HydrophobicContact CD1-CD1 4Å; F299-I373 HydrophobicContact CD1-CD1 3.79Å; F299-I373 HydrophobicContact CD2-CD1 4.48Å; F299-I373 HydrophobicContact CE1-CB 4.45Å; F299-I373 HydrophobicContact CE1-CD1 3.53Å; F299-I373 HydrophobicContact CE1-CG1 4.12Å; F299-I373 HydrophobicContact CE2-CD1 4.22Å; F299-I373 HydrophobicContact CE2-CG1 4.26Å; F299-I373 HydrophobicContact CG-CD1 4.3Å; F299-I373 HydrophobicContact CZ-CB 4.16Å; F299-I373 HydrophobicContact CZ-CD1 3.74Å; F299-I373 HydrophobicContact CZ-CG1 3.83Å; L369-I373 PolarHBondContact O-N 3.41Å; Q370-I373 WeakPolarHBondContact CA-O 3.41Å; Q370-I373 CarbonylContact O-C 3.53Å; I373-E375 PolarHBondContact O-N 2.84Å; I373-L376 HydrophobicContact CG2-CB 4.39Å; I373-L376 VanDerWaalsContact O-CB 3.28Å; I373-L376 WeakPolarHBondContact O-CB 3.24Å; I373-L376 PolarHBondContact O-N 3.48Å; I373-L376 VanDerWaalsContact O-N 3.13Å
374	P	95.3	Very high	92.4	Very high	69 Å²	69	50.4 Å²	50.4	45%	0.448	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.3	-174.1	-26.1	35.3	0	0	0	115	R164 Q370 L376	R164-P374 HydrophobicContact CB-CG 4.4Å; R164-P374 HydrophobicContact CG-CG 3.76Å; Q370-P374 WeakPolarHBondContact O-CA 3.41Å; P374-L376 PolarHBondContact O-N 3.26Å
375	E	94.3	Very high	92.8	Very high	93 Å²	93	51.5 Å²	51.5	44%	0.435	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.5	179.2	-68.5	177.5	-143.2	0	0	113.4	Y162 L279 I373 S377	Y162-E375 WeakPolarHBondContact CD1-OE1 3.44Å; Y162-E375 WeakPolarHBondContact CD1-OE2 3.44Å; L279-E375 HydrophobicContact CD2-CB 4.36Å; I373-E375 PolarHBondContact O-N 2.84Å; E375-S377 PolarHBondContact O-N 3.27Å
376	L	95.1	Very high	93.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.274	C	S	.	.			trans	-67.4	130.6	179.1	-175	68.8	0	0	0	110.6	L272 F299 L309 I366 L369 Q370 I373 P374 D380 V381	L272-L376 HydrophobicContact CD2-CD1 3.42Å; L272-L376 VanDerWaalsContact CD2-CD1 3.42Å; F299-L376 HydrophobicContact CE1-CD2 4.19Å; F299-L376 HydrophobicContact CZ-CD2 4.41Å; L309-L376 HydrophobicContact CD1-CD2 4.39Å; I366-L376 HydrophobicContact CD1-CD2 3.92Å; I366-L376 HydrophobicContact CD1-CG 4.41Å; I366-L376 HydrophobicContact CG2-CD2 4.32Å; I366-L376 HydrophobicContact CG2-CG 4.33Å; L369-L376 HydrophobicContact CB-CD2 3.62Å; L369-L376 HydrophobicContact CD1-CD2 4.12Å; Q370-L376 HydrophobicContact CG-CB 4.38Å; Q370-L376 VanDerWaalsContact CG-O 3.31Å; Q370-L376 WeakPolarHBondContact CG-O 3.21Å; Q370-L376 PolarHBondContact NE2-O 3.4Å; I373-L376 HydrophobicContact CG2-CB 4.39Å; I373-L376 VanDerWaalsContact O-CB 3.28Å; I373-L376 WeakPolarHBondContact O-CB 3.24Å; I373-L376 PolarHBondContact O-N 3.48Å; I373-L376 VanDerWaalsContact O-N 3.13Å; P374-L376 PolarHBondContact O-N 3.26Å; L376-D380 HydrophobicContact CD1-CB 4.03Å; L376-V381 HydrophobicContact CD1-CG1 4.17Å
377	S	94.4	Very high	93.2	Very high	36 Å²	36	52.6 Å²	52.6	25%	0.252	28%	0.276	S	S	.	.			trans	-121	166.1	174.9	74	0	0	0	0	112.2	E375 S379 D380	E375-S377 PolarHBondContact O-N 3.27Å; S377-S379 PolarHBondContact O-N 3.04Å; S377-S379 PolarHBondContact OG-OG 3.32Å; S377-D380 WeakPolarHBondContact CB-OD2 3.29Å; S377-D380 PolarHBondContact N-OD2 3.43Å; S377-D380 WeakPolarHBondContact O-CB 3.5Å; S377-D380 PolarHBondContact O-N 3.23Å; S377-D380 VanDerWaalsContact O-N 3.16Å; S377-D380 PolarHBondContact OG-OD1 2.8Å; S377-D380 PolarHBondContact OG-OD2 3.48Å
378	L	93.2	Very high	93.4	Very high	95 Å²	95	45.4 Å²	45.4	50%	0.497	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.4	-31.5	177	-177	64.4	0	0	0	112.2	L362 I366 D380 V381	L362-L378 HydrophobicContact CB-CD1 3.68Å; I366-L378 HydrophobicContact CG1-CD1 4.16Å; L378-D380 PolarHBondContact O-N 2.92Å; L378-V381 HydrophobicContact CD1-CG2 4.38Å; L378-V381 VanDerWaalsContact O-CG2 3.26Å; L378-V381 WeakPolarHBondContact O-CG2 3.36Å
379	S	94.8	Very high	93.5	Very high	76 Å²	76	47.2 Å²	47.2	53%	0.531	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-71.8	-10.4	178.2	43.4	0	0	0	0	114	K273 S377	K273-S379 WeakPolarHBondContact CD-O 3.26Å; K273-S379 WeakPolarHBondContact CE-O 3.36Å; K273-S379 PolarHBondContact NZ-O 2.56Å; S377-S379 PolarHBondContact O-N 3.04Å; S377-S379 PolarHBondContact OG-OG 3.32Å
380	D	95.8	Very high	93.5	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.059	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-90.9	-7.5	-176	-61.6	-29.5	0	0	0	113.4	K273 K276 L376 S377 L378	K273-D380 PolarHBondContact N-O 3.29Å; K276-D380 HydrophobicContact CB-CB 4.49Å; K276-D380 WeakPolarHBondContact CE-OD1 3.39Å; K276-D380 HydrophobicContact CG-CB 3.88Å; L376-D380 HydrophobicContact CD1-CB 4.03Å; S377-D380 WeakPolarHBondContact CB-OD2 3.29Å; S377-D380 PolarHBondContact N-OD2 3.43Å; S377-D380 WeakPolarHBondContact O-CB 3.5Å; S377-D380 PolarHBondContact O-N 3.23Å; S377-D380 VanDerWaalsContact O-N 3.16Å; S377-D380 PolarHBondContact OG-OD1 2.8Å; S377-D380 PolarHBondContact OG-OD2 3.48Å; L378-D380 PolarHBondContact O-N 2.92Å
381	V	94.8	Very high	93.3	Very high	12 Å²	12	46.4 Å²	46.4	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.2	-173	-65.9	0	0	0	0	112.2	L270 V271 L272 L309 I366 L376 L378	L270-V381 HydrophobicContact CB-CB 4.46Å; L270-V381 HydrophobicContact CD1-CB 4.41Å; L270-V381 HydrophobicContact CD1-CG2 4.38Å; V271-V381 CarbonylContact O-C 3.54Å; V271-V381 WeakPolarHBondContact O-CA 3.46Å; L272-V381 HydrophobicContact CD2-CG1 3.95Å; L309-V381 HydrophobicContact CD1-CG1 3.43Å; L309-V381 VanDerWaalsContact CD1-CG1 3.43Å; I366-V381 HydrophobicContact CD1-CB 4.17Å; I366-V381 HydrophobicContact CD1-CG1 3.59Å; I366-V381 HydrophobicContact CD1-CG2 3.6Å; I366-V381 HydrophobicContact CG1-CG2 4.11Å; L376-V381 HydrophobicContact CD1-CG1 4.17Å; L378-V381 HydrophobicContact CD1-CG2 4.38Å; L378-V381 VanDerWaalsContact O-CG2 3.26Å; L378-V381 WeakPolarHBondContact O-CG2 3.36Å
382	L	93.9	Very high	93.2	Very high	88 Å²	88	41.4 Å²	41.4	46%	0.461	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	159.2	170.1	-57.3	172.3	0	0	0	109.1	L270 V271 K273 G384	L270-L382 CarbonylContact C-O 3.54Å; L270-L382 VanDerWaalsContact CA-O 3.24Å; L270-L382 WeakPolarHBondContact CA-O 3.37Å; L270-L382 WeakPolarHBondContact CB-O 3.43Å; V271-L382 HydrophobicContact CG2-CB 3.78Å; V271-L382 PolarHBondContact N-O 2.79Å; V271-L382 PolarHBondContact O-N 3.11Å; K273-L382 HydrophobicContact CG-CD1 4.09Å; K273-L382 HydrophobicContact CG-CD2 4.5Å; K273-L382 HydrophobicContact CG-CG 3.96Å; L382-G384 PolarHBondContact O-N 3.04Å
383	R	91.3	Very high	93	Very high	115 Å²	115	40.7 Å²	40.7	43%	0.434	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.5	169	-71.2	-71.5	-172.9	175.9	0.5	108.7	G359 V360	G359-R383 PolarHBondContact O-NH1 2.82Å; G359-R383 PolarHBondContact O-NH2 3.05Å; V360-R383 PolarHBondContact O-NH2 3.28Å
384	G	91.4	Very high	92.8	Very high	24 Å²	24	42.9 Å²	42.9	25%	0.247	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-171	-178.1	0	0	0	0	0	112.7	Y269 L382	Y269-G384 CarbonylContact O-C 3.47Å; Y269-G384 WeakPolarHBondContact O-CA 3.42Å; Y269-G384 PolarHBondContact O-N 3.22Å; L382-G384 PolarHBondContact O-N 3.04Å
385	P	92.3	Very high	92.6	Very high	48 Å²	48	46.5 Å²	46.5	31%	0.312	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	173.4	174.3	29.5	-31.7	0	0	0	111.2	Y269 W308	Y269-P385 WeakPolarHBondContact CB-O 3.42Å; Y269-P385 WeakPolarHBondContact CD2-O 3.44Å; Y269-P385 PolarHBondContact N-O 2.69Å; W308-P385 HydrophobicContact CD2-CG 4.09Å; W308-P385 HydrophobicContact CE3-CG 4.05Å; W308-P385 HydrophobicContact CH2-CB 4.11Å; W308-P385 HydrophobicContact CH2-CG 3.16Å; W308-P385 HydrophobicContact CZ2-CB 4.41Å; W308-P385 HydrophobicContact CZ2-CG 3.2Å; W308-P385 HydrophobicContact CZ3-CG 3.6Å
386	T	92.2	Very high	92.5	Very high	22 Å²	22	45.8 Å²	45.8	14%	0.135	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.6	179.1	63.8	0	0	0	0	109.8	H76 G267 D268 Y322	H76-T386 PolarHBondContact ND1-O 2.97Å; G267-T386 VanDerWaalsContact O-CA 3.3Å; G267-T386 WeakPolarHBondContact O-CA 3.44Å; D268-T386 HydrophobicContact CB-CG2 4.5Å; D268-T386 WeakPolarHBondContact OD1-CG2 3.27Å; Y322-T386 WeakPolarHBondContact CA-OG1 3.23Å; Y322-T386 WeakPolarHBondContact O-CB 3.36Å; Y322-T386 VanDerWaalsContact O-CG2 3.29Å; Y322-T386 WeakPolarHBondContact O-CG2 3.49Å; Y322-T386 PolarHBondContact O-OG1 3.04Å
387	G	91.9	Very high	92.1	Very high	7 Å²	7	45.9 Å²	45.9	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.2	165.3	0	0	0	0	0	110.8	R266 G267	R266-G387 CarbonylContact C-O 3.48Å; R266-G387 WeakPolarHBondContact CA-O 3.44Å; G267-G387 PolarHBondContact N-O 3.19Å; G267-G387 PolarHBondContact O-N 3.39Å
388	V	92.3	Very high	91.8	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.9	177.5	-173.1	0	0	0	0	108.8	Q73 L245 P264 F265 R266 R319 G321 Y322	Q73-V388 VanDerWaalsContact CG-O 3.29Å; Q73-V388 WeakPolarHBondContact CG-O 3.4Å; L245-V388 HydrophobicContact CD1-CB 4.41Å; L245-V388 HydrophobicContact CD1-CG1 4.48Å; L245-V388 HydrophobicContact CD2-CG1 3.89Å; P264-V388 HydrophobicContact CB-CG1 3.58Å; F265-V388 CarbonylContact O-C 3.51Å; F265-V388 WeakPolarHBondContact O-CA 3.17Å; R266-V388 HydrophobicContact CB-CG2 4.34Å; R266-V388 HydrophobicContact CG-CG2 4.22Å; R319-V388 WeakPolarHBondContact O-CG1 3.4Å; G321-V388 WeakPolarHBondContact O-CG2 3.2Å; Y322-V388 HydrophobicContact CD1-CG2 3.8Å; Y322-V388 HydrophobicContact CE1-CB 4.23Å; Y322-V388 HydrophobicContact CE1-CG2 3.79Å; Y322-V388 HydrophobicContact CG-CG2 4.31Å
389	R	90.3	Very high	91.5	Very high	99 Å²	99	45.4 Å²	45.4	37%	0.374	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.4	175.6	-64.5	-177.4	-179.7	170.3	3.4	109.4	P264 F265 F294 Q391	P264-R389 WeakPolarHBondContact CA-O 3.37Å; F265-R389 PolarHBondContact N-O 2.93Å; F265-R389 PolarHBondContact O-N 3.27Å; F294-R389 PolarHBondContact O-NH1 3.14Å; R389-Q391 PolarHBondContact O-N 3.27Å
390	A	91.2	Very high	91.1	Very high	20 Å²	20	43.2 Å²	43.2	17%	0.165	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	97.6	165.7	0	0	0	0	0	108.8	L245 I262	L245-A390 HydrophobicContact CD2-CB 3.73Å; L245-A390 HydrophobicContact CG-CB 4.07Å; I262-A390 HydrophobicContact CG2-CB 3.71Å
391	Q	89.8	Confident	90.1	Very high	35 Å²	35	46.7 Å²	46.7	16%	0.164	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.1	-179.9	-166.9	66.2	51.8	0	0	109.6	I262 V263 F265 R389 L393 L399	I262-Q391 WeakPolarHBondContact CA-O 3.4Å; V263-Q391 PolarHBondContact N-O 2.86Å; V263-Q391 WeakPolarHBondContact O-CB 3.33Å; V263-Q391 PolarHBondContact O-N 3.2Å; F265-Q391 HydrophobicContact CD2-CB 3.73Å; F265-Q391 HydrophobicContact CD2-CG 4.32Å; F265-Q391 HydrophobicContact CE2-CB 4.06Å; F265-Q391 HydrophobicContact CE2-CG 4.32Å; R389-Q391 PolarHBondContact O-N 3.27Å; Q391-L393 HydrophobicContact CB-CD1 4.2Å; Q391-L393 HydrophobicContact CG-CD1 3.95Å; Q391-L399 HydrophobicContact CG-CD2 3.43Å; Q391-L399 VanDerWaalsContact CG-CD2 3.43Å; Q391-L399 HydrophobicContact CG-CG 4.49Å
392	A	91.9	Very high	89.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.7	173.4	0	0	0	0	0	110.6	P260 R261 I262 V400 N421	P260-A392 HydrophobicContact CB-CB 4.16Å; P260-A392 HydrophobicContact CG-CB 4.35Å; R261-A392 CarbonylContact O-C 3.56Å; R261-A392 WeakPolarHBondContact O-CA 3.36Å; I262-A392 HydrophobicContact CD1-CB 3.98Å; A392-V400 HydrophobicContact CB-CB 3.92Å; A392-V400 HydrophobicContact CB-CG2 4.36Å; A392-V400 PolarHBondContact O-N 2.9Å; A392-N421 HydrophobicContact CB-CB 3.93Å; A392-N421 WeakPolarHBondContact CB-OD1 3.29Å
393	L	91.4	Very high	88.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.3	-179.8	-82.4	116.3	0	0	0	111.9	P260 R261 V263 F265 F338 L344 Q391 N398 L399	P260-L393 WeakPolarHBondContact CA-O 3.4Å; R261-L393 PolarHBondContact N-O 3.43Å; R261-L393 PolarHBondContact O-N 2.76Å; V263-L393 HydrophobicContact CB-CD1 3.58Å; V263-L393 HydrophobicContact CG2-CD1 3.53Å; F265-L393 HydrophobicContact CE2-CD1 4.43Å; F338-L393 HydrophobicContact CE1-CB 3.8Å; F338-L393 HydrophobicContact CZ-CB 4.27Å; L344-L393 HydrophobicContact CB-CD2 4.29Å; L344-L393 HydrophobicContact CD2-CD2 3.96Å; Q391-L393 HydrophobicContact CB-CD1 4.2Å; Q391-L393 HydrophobicContact CG-CD1 3.95Å; L393-N398 WeakPolarHBondContact CA-O 3.33Å; L393-L399 HydrophobicContact CD1-CD2 4.13Å; L393-L399 HydrophobicContact CD2-CD2 3.93Å; L393-L399 HydrophobicContact CG-CD2 3.81Å
394	D	91.8	Very high	88.7	Confident	45 Å²	45	42.9 Å²	42.9	24%	0.241	23%	0.225	C	C	.	.			trans	-85	176	170.1	72.5	16.5	0	0	0	112.2	F338 G340 D396 G397 N398 V400	F338-D394 WeakPolarHBondContact CZ-O 3.48Å; G340-D394 WeakPolarHBondContact CA-O 3.45Å; D394-D396 PolarHBondContact O-N 3.31Å; D394-D396 WeakPolarHBondContact OD1-CA 3.19Å; D394-D396 PolarHBondContact OD1-N 3.02Å; D394-G397 PolarHBondContact O-N 3.34Å; D394-G397 PolarHBondContact OD1-N 3.27Å; D394-N398 PolarHBondContact N-O 3.44Å; D394-N398 VanDerWaalsContact N-O 3.15Å; D394-N398 PolarHBondContact OD1-N 2.98Å; D394-N398 PolarHBondContact OD1-ND2 3.06Å; D394-N398 WeakPolarHBondContact OD2-CB 3.39Å; D394-N398 PolarHBondContact OD2-ND2 3.18Å; D394-V400 HydrophobicContact CB-CG2 4.48Å
395	R	91.5	Very high	88.7	Confident	145 Å²	145	44.4 Å²	44.4	55%	0.547	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-20	177.6	-77.1	179.7	167.1	155.6	28.4	114.6	E259 K343	E259-R395 HydrophobicContact CG-CG 4.17Å; E259-R395 WeakPolarHBondContact OE1-CD 3.11Å; E259-R395 VanDerWaalsContact OE1-CG 3.3Å; E259-R395 WeakPolarHBondContact OE1-CG 3.23Å; E259-R395 IonicContact OE1-CZ 3.34Å; E259-R395 IonicContact OE1-NE 2.69Å; E259-R395 PolarHBondContact OE1-NE 3.25Å; E259-R395 IonicContact OE1-NH2 2.7Å; E259-R395 PolarHBondContact OE1-NH2 2.99Å; E259-R395 WeakPolarHBondContact OE2-CD 3.21Å; E259-R395 WeakPolarHBondContact OE2-CG 3.27Å; E259-R395 IonicContact OE2-CZ 3.57Å; E259-R395 VanDerWaalsContact OE2-CZ 3.3Å; E259-R395 IonicContact OE2-NE 3.95Å; E259-R395 PolarHBondContact OE2-NE 3.03Å; E259-R395 IonicContact OE2-NH2 3.87Å; E259-R395 PolarHBondContact OE2-NH2 3.47Å; K343-R395 PolarHBondContact NZ-O 3.49Å
396	D	90.9	Very high	88.6	Confident	78 Å²	78	44 Å²	44	42%	0.417	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.6	-176.6	-69.8	-46.9	0	0	0	113	K343 R347 D394 N398	K343-D396 WeakPolarHBondContact CD-O 3.44Å; K343-D396 IonicContact NZ-OD1 3.32Å; K343-D396 PolarHBondContact NZ-OD1 3.06Å; R347-D396 PolarHBondContact NH1-O 3Å; D394-D396 PolarHBondContact O-N 3.31Å; D394-D396 WeakPolarHBondContact OD1-CA 3.19Å; D394-D396 PolarHBondContact OD1-N 3.02Å; D396-N398 VanDerWaalsContact C-N 3.33Å; D396-N398 WeakPolarHBondContact CB-ND2 3.45Å
397	G	87.3	Confident	88.2	Confident	3 Å²	3	43 Å²	43	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	80.1	17.6	179.3	0	0	0	0	0	112.7	G340 L344 D394	G340-G397 WeakPolarHBondContact O-CA 3.36Å; L344-G397 WeakPolarHBondContact CD1-O 3.49Å; D394-G397 PolarHBondContact O-N 3.34Å; D394-G397 PolarHBondContact OD1-N 3.27Å
398	N	88.4	Confident	87.9	Confident	72 Å²	72	43.8 Å²	43.8	39%	0.385	22%	0.222	S	C	.	.			trans	-84.3	145.2	171.6	-43.1	-58.5	0	0	0	109.5	R347 L393 D394 D396	R347-N398 PolarHBondContact NH1-OD1 3.25Å; L393-N398 WeakPolarHBondContact CA-O 3.33Å; D394-N398 PolarHBondContact N-O 3.44Å; D394-N398 VanDerWaalsContact N-O 3.15Å; D394-N398 PolarHBondContact OD1-N 2.98Å; D394-N398 PolarHBondContact OD1-ND2 3.06Å; D394-N398 WeakPolarHBondContact OD2-CB 3.39Å; D394-N398 PolarHBondContact OD2-ND2 3.18Å; D396-N398 VanDerWaalsContact C-N 3.33Å; D396-N398 WeakPolarHBondContact CB-ND2 3.45Å
399	L	85.9	Confident	87.3	Confident	50 Å²	50	49 Å²	49	26%	0.262	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-74.4	127.8	173.3	-59.8	-173.6	0	0	0	108.6	F294 Q391 L393 D401	F294-L399 HydrophobicContact CD2-CD1 3.89Å; F294-L399 HydrophobicContact CE2-CD1 3.61Å; Q391-L399 HydrophobicContact CG-CD2 3.43Å; Q391-L399 VanDerWaalsContact CG-CD2 3.43Å; Q391-L399 HydrophobicContact CG-CG 4.49Å; L393-L399 HydrophobicContact CD1-CD2 4.13Å; L393-L399 HydrophobicContact CD2-CD2 3.93Å; L393-L399 HydrophobicContact CG-CD2 3.81Å; L399-D401 PolarHBondContact O-N 3.08Å; L399-D401 VanDerWaalsContact O-N 3.11Å
400	V	86	Confident	87.1	Confident	30 Å²	30	47 Å²	47	18%	0.182	26%	0.264	C	S	.	.			trans	-75.3	107	172.7	-176.2	0	0	0	0	107.9	P260 A392 D394 V404 N421	P260-V400 HydrophobicContact CB-CG2 3.86Å; A392-V400 HydrophobicContact CB-CB 3.92Å; A392-V400 HydrophobicContact CB-CG2 4.36Å; A392-V400 PolarHBondContact O-N 2.9Å; D394-V400 HydrophobicContact CB-CG2 4.48Å; V400-V404 HydrophobicContact CG1-CG2 3.59Å; V400-N421 PolarHBondContact O-ND2 2.84Å
401	D	76.3	Confident	86.8	Confident	83 Å²	83	51.9 Å²	51.9	44%	0.444	29%	0.287	S	S	.	.			trans	-81.5	-29.5	-178.2	-87.9	-45.6	0	0	0	112.2	K93 L399 P423	K93-D401 WeakPolarHBondContact CE-O 3.37Å; K93-D401 PolarHBondContact NZ-O 2.77Å; K93-D401 IonicContact NZ-OD1 2.68Å; K93-D401 PolarHBondContact NZ-OD1 3.43Å; L399-D401 PolarHBondContact O-N 3.08Å; L399-D401 VanDerWaalsContact O-N 3.11Å; D401-P423 VanDerWaalsContact O-CG 3.3Å; D401-P423 WeakPolarHBondContact O-CG 3.49Å
402	D	79.1	Confident	86.8	Confident	79 Å²	79	51.3 Å²	51.3	42%	0.422	29%	0.285	S	S	.	.	S	Bend	trans	-94	169.5	-174.7	-141.8	-14.9	0	0	0	114.3	L92 N421	L92-D402 WeakPolarHBondContact CD1-OD1 2.98Å; D402-N421 PolarHBondContact O-ND2 2.84Å
403	F	83.6	Confident	86.6	Confident	25 Å²	25	51.4 Å²	51.4	11%	0.11	29%	0.286	C	S	.	.			trans	-57.7	139.8	168.5	-74.1	-90.2	0	0	0	110.4	L92 L96 F405 N421 A422 P423 I433 M436	L92-F403 HydrophobicContact CB-CD2 4.48Å; L92-F403 HydrophobicContact CD1-CD2 4.28Å; L96-F403 HydrophobicContact CD1-CD2 4.41Å; L96-F403 HydrophobicContact CD1-CE2 3.49Å; L96-F403 VanDerWaalsContact CD1-CE2 3.49Å; L96-F403 HydrophobicContact CD1-CZ 3.87Å; F403-F405 HydrophobicContact CB-CE2 4.2Å; F403-F405 HydrophobicContact CB-CZ 4.27Å; F403-F405 HydrophobicContact CD1-CZ 4.15Å; F403-F405 HydrophobicContact CG-CZ 4.44Å; F403-N421 WeakPolarHBondContact CA-O 3.31Å; F403-N421 WeakPolarHBondContact CD1-O 3.44Å; F403-A422 HydrophobicContact CE1-CB 4.04Å; F403-P423 HydrophobicContact CE2-CG 4.32Å; F403-P423 HydrophobicContact CZ-CG 4.5Å; F403-I433 HydrophobicContact CE1-CD1 4.02Å; F403-I433 HydrophobicContact CE1-CG1 3.99Å; F403-I433 HydrophobicContact CE1-CG2 3.84Å; F403-I433 HydrophobicContact CZ-CD1 3.58Å; F403-I433 HydrophobicContact CZ-CG1 3.54Å; F403-I433 HydrophobicContact CZ-CG2 4.28Å; F403-M436 HydrophobicContact CD2-SD 4.23Å; F403-M436 HydrophobicContact CG-SD 4.35Å
404	V	87.8	Confident	86.5	Confident	32 Å²	32	54.6 Å²	54.6	19%	0.194	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	110.5	172.3	-178.8	0	0	0	0	107.8	P260 V400 R420 N421	P260-V404 HydrophobicContact CG-CB 4.38Å; P260-V404 HydrophobicContact CG-CG1 4.15Å; P260-V404 HydrophobicContact CG-CG2 4.18Å; V400-V404 HydrophobicContact CG1-CG2 3.59Å; V404-R420 HydrophobicContact CB-CB 3.99Å; V404-R420 HydrophobicContact CG1-CB 3.88Å; V404-R420 HydrophobicContact CG1-CG 4.5Å; V404-R420 WeakPolarHBondContact O-CB 3.47Å; V404-R420 PolarHBondContact O-N 3.12Å; V404-N421 HydrophobicContact CB-CB 4.14Å; V404-N421 HydrophobicContact CG2-CB 4.06Å; V404-N421 PolarHBondContact N-O 2.82Å
405	F	91.1	Very high	86.6	Confident	55 Å²	55	55.7 Å²	55.7	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.7	169	-61.4	-52.5	0	0	0	109.2	F403 L417 H418 V419 M436 I437 E440	F403-F405 HydrophobicContact CB-CE2 4.2Å; F403-F405 HydrophobicContact CB-CZ 4.27Å; F403-F405 HydrophobicContact CD1-CZ 4.15Å; F403-F405 HydrophobicContact CG-CZ 4.44Å; F405-L417 HydrophobicContact CB-CD1 4.02Å; F405-H418 WeakPolarHBondContact CA-O 3.31Å; F405-V419 HydrophobicContact CD1-CG2 4.22Å; F405-V419 HydrophobicContact CE1-CB 4.47Å; F405-V419 HydrophobicContact CE1-CG1 4.19Å; F405-V419 HydrophobicContact CE1-CG2 3.94Å; F405-M436 HydrophobicContact CE2-CG 4.37Å; F405-M436 HydrophobicContact CE2-SD 4.29Å; F405-M436 HydrophobicContact CZ-CG 4.37Å; F405-M436 HydrophobicContact CZ-SD 4.34Å; F405-I437 HydrophobicContact CE1-CG1 3.84Å; F405-I437 HydrophobicContact CZ-CG1 3.96Å; F405-E440 HydrophobicContact CD2-CG 4.21Å; F405-E440 HydrophobicContact CG-CG 4.31Å
406	D	89.3	Confident	86.8	Confident	40 Å²	40	48.8 Å²	48.8	21%	0.214	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.1	179.6	-163.4	-14.7	0	0	0	108.2	C256 G408 L417 H418 R420	C256-D406 WeakPolarHBondContact CB-OD2 3.26Å; C256-D406 VanDerWaalsContact SG-CG 3.56Å; D406-G408 PolarHBondContact OD1-N 3.14Å; D406-L417 CarbonylContact O-C 3.54Å; D406-H418 PolarHBondContact N-O 2.96Å; D406-H418 VanDerWaalsContact N-O 3.14Å; D406-H418 WeakPolarHBondContact O-CA 3.46Å; D406-H418 WeakPolarHBondContact O-CB 3.49Å; D406-H418 PolarHBondContact O-N 2.84Å; D406-R420 VanDerWaalsContact CB-CD 3.49Å; D406-R420 HydrophobicContact CB-CG 4.2Å; D406-R420 IonicContact OD2-CZ 3.77Å; D406-R420 IonicContact OD2-NH1 3.67Å; D406-R420 PolarHBondContact OD2-NH1 2.82Å
407	G	85.1	Confident	87.1	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.01	26%	0.264	C	S	.	.			trans	-135.9	-2	166	0	0	0	0	0	113.7	C256 G413 V416	C256-G407 VanDerWaalsContact SG-C 3.51Å; G407-G413 CarbonylContact O-C 3.59Å; G407-G413 WeakPolarHBondContact O-CA 3.34Å; G407-V416 WeakPolarHBondContact CA-O 3.33Å
408	G	84.4	Confident	87.6	Confident	23 Å²	23	45 Å²	45	24%	0.237	26%	0.262	C	S	.	.			trans	82.6	-155.9	-179.9	0	0	0	0	0	112.5	C256 D406	C256-G408 WeakPolarHBondContact SG-CA 3.39Å; C256-G408 PolarHBondContact SG-N 2.86Å; D406-G408 PolarHBondContact OD1-N 3.14Å
409	V	80.6	Confident	88	Confident	114 Å²	114	41.8 Å²	41.8	69%	0.691	25%	0.246	S	C	*	.	S	Bend	trans	-126.6	156	-171.2	-64.8	0	0	0	0	111.6
410	G	85.6	Confident	88.3	Confident	57 Å²	57	39.5 Å²	39.5	59%	0.588	23%	0.233	S	C	*	.	H	α-helix	trans	75.8	-168.1	178.9	0	0	0	0	0	114.1	L412 G413 S414	G410-L412 VanDerWaalsContact C-N 3.35Å; G410-L412 PolarHBondContact O-N 2.85Å; G410-G413 PolarHBondContact O-N 2.7Å; G410-G413 VanDerWaalsContact O-N 3.09Å; G410-S414 PolarHBondContact O-N 3.19Å; G410-S414 VanDerWaalsContact O-N 3.16Å
411	D	85.4	Confident	88.5	Confident	123 Å²	123	38.5 Å²	38.5	66%	0.658	23%	0.227	S	C	*	.	H	α-helix	trans	-60	-42.3	-170.7	-66.9	-10.9	0	0	0	112.8	V208 S414	V208-D411 HydrophobicContact CG2-CB 4.24Å; D411-S414 PolarHBondContact O-N 2.9Å; D411-S414 PolarHBondContact O-OG 3.03Å
412	L	88.5	Confident	88.9	Confident	22 Å²	22	36.1 Å²	36.1	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-45.4	176	-176.6	58.1	0	0	0	110.7	M206 V208 I224 G410 S414 R415 V416	M206-L412 HydrophobicContact CB-CD2 4.22Å; M206-L412 WeakPolarHBondContact O-CD2 3.47Å; V208-L412 HydrophobicContact CG2-CB 3.97Å; V208-L412 HydrophobicContact CG2-CD1 4.34Å; I224-L412 HydrophobicContact CD1-CD1 4.33Å; I224-L412 HydrophobicContact CG1-CD1 4.3Å; I224-L412 HydrophobicContact CG2-CD1 4.11Å; G410-L412 VanDerWaalsContact C-N 3.35Å; G410-L412 PolarHBondContact O-N 2.85Å; L412-S414 PolarHBondContact O-N 2.67Å; L412-R415 PolarHBondContact O-N 2.88Å; L412-V416 HydrophobicContact CD1-CG2 3.72Å; L412-V416 HydrophobicContact CG-CG2 4.04Å; L412-V416 WeakPolarHBondContact O-CG2 3.18Å; L412-V416 PolarHBondContact O-N 3.3Å
413	G	88.9	Confident	88.5	Confident	2 Å²	2	33 Å²	33	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-70.5	-18	-175.1	0	0	0	0	0	115.6	G407 G410 R415 R444	G407-G413 CarbonylContact O-C 3.59Å; G407-G413 WeakPolarHBondContact O-CA 3.34Å; G410-G413 PolarHBondContact O-N 2.7Å; G410-G413 VanDerWaalsContact O-N 3.09Å; G413-R415 PolarHBondContact O-N 2.85Å; G413-R444 PolarHBondContact O-NH2 3.01Å
414	S	89.9	Confident	87.9	Confident	68 Å²	68	35.3 Å²	35.3	48%	0.476	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.6	168.6	73.3	0	0	0	0	113.3	G410 D411 L412	G410-S414 PolarHBondContact O-N 3.19Å; G410-S414 VanDerWaalsContact O-N 3.16Å; D411-S414 PolarHBondContact O-N 2.9Å; D411-S414 PolarHBondContact O-OG 3.03Å; L412-S414 PolarHBondContact O-N 2.67Å
415	R	93.8	Very high	87.7	Confident	68 Å²	68	34 Å²	34	26%	0.257	21%	0.214	S	C	.	.	S	Bend	trans	-120.9	5	-173.8	-54.3	176	176.7	-79.4	-5.2	114	I224 Y238 V239 L412 G413 F445	I224-R415 HydrophobicContact CD1-CB 3.56Å; I224-R415 HydrophobicContact CD1-CG 4.49Å; I224-R415 HydrophobicContact CG1-CB 4.44Å; Y238-R415 CarbonylContact C-O 3.55Å; Y238-R415 VanDerWaalsContact CA-O 3.29Å; Y238-R415 WeakPolarHBondContact CA-O 3.33Å; Y238-R415 HydrophobicContact CD1-CB 3.99Å; Y238-R415 HydrophobicContact CD1-CG 4.37Å; Y238-R415 HydrophobicContact CE1-CB 4.48Å; Y238-R415 HydrophobicContact CE1-CG 4.38Å; V239-R415 PolarHBondContact N-O 2.98Å; L412-R415 PolarHBondContact O-N 2.88Å; G413-R415 PolarHBondContact O-N 2.85Å; R415-F445 VanDerWaalsContact C-CE1 3.44Å; R415-F445 WeakPolarHBondContact O-CZ 3.38Å
416	V	95.9	Very high	87.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.7	178.5	-175.3	0	0	0	0	109.8	V239 T241 G407 L412 H418	V239-V416 HydrophobicContact CB-CB 4.46Å; V239-V416 HydrophobicContact CB-CG1 4.12Å; V239-V416 HydrophobicContact CB-CG2 4.01Å; V239-V416 HydrophobicContact CG2-CG2 4.18Å; V239-V416 CarbonylContact O-C 3.58Å; V239-V416 WeakPolarHBondContact O-CA 3.05Å; T241-V416 HydrophobicContact CG2-CG1 4.36Å; G407-V416 WeakPolarHBondContact CA-O 3.33Å; L412-V416 HydrophobicContact CD1-CG2 3.72Å; L412-V416 HydrophobicContact CG-CG2 4.04Å; L412-V416 WeakPolarHBondContact O-CG2 3.18Å; L412-V416 PolarHBondContact O-N 3.3Å; V416-H418 WeakPolarHBondContact CG1-CE1 3.26Å; V416-H418 WeakPolarHBondContact CG1-NE2 3.45Å
417	L	97.3	Very high	88	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.6	168.8	-175.9	67.9	0	0	0	109.1	V239 L240 T241 F405 D406 E440 V441 F445	V239-L417 PolarHBondContact O-N 3.18Å; L240-L417 CarbonylContact C-O 3.09Å; L240-L417 WeakPolarHBondContact CA-O 3.35Å; L240-L417 HydrophobicContact CD1-CB 4.27Å; L240-L417 HydrophobicContact CD1-CD2 4.03Å; L240-L417 HydrophobicContact CD1-CG 4.23Å; T241-L417 PolarHBondContact N-O 3.08Å; F405-L417 HydrophobicContact CB-CD1 4.02Å; D406-L417 CarbonylContact O-C 3.54Å; L417-E440 HydrophobicContact CD1-CG 3.94Å; L417-E440 HydrophobicContact CD2-CB 4.13Å; L417-E440 HydrophobicContact CD2-CG 3.63Å; L417-E440 HydrophobicContact CG-CG 4.46Å; L417-V441 HydrophobicContact CD2-CG2 3.51Å; L417-F445 HydrophobicContact CB-CE2 4.45Å; L417-F445 HydrophobicContact CB-CZ 3.96Å
418	H	97.3	Very high	88.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.1	175.7	-62	-72.1	0	0	0	110.6	T241 L250 S254 C256 F405 D406 V416 R420	T241-H418 WeakPolarHBondContact CG2-ND1 3.37Å; T241-H418 WeakPolarHBondContact OG1-CA 3.27Å; T241-H418 PolarHBondContact OG1-ND1 3.39Å; L250-H418 PolarHBondContact O-CE1 2.91Å; S254-H418 WeakPolarHBondContact CB-NE2 3.26Å; S254-H418 PolarHBondContact OG-CD2 3.26Å; S254-H418 PolarHBondContact OG-NE2 3.19Å; C256-H418 PolarHBondContact SG-CD2 3.16Å; F405-H418 WeakPolarHBondContact CA-O 3.31Å; D406-H418 PolarHBondContact N-O 2.96Å; D406-H418 VanDerWaalsContact N-O 3.14Å; D406-H418 WeakPolarHBondContact O-CA 3.46Å; D406-H418 WeakPolarHBondContact O-CB 3.49Å; D406-H418 PolarHBondContact O-N 2.84Å; V416-H418 WeakPolarHBondContact CG1-CE1 3.26Å; V416-H418 WeakPolarHBondContact CG1-NE2 3.45Å; H418-R420 HydrophobicContact CB-CG 3.77Å; H418-R420 PolarHBondContact O-N 2.89Å
419	V	96.1	Very high	89.2	Confident	6 Å²	6	30.3 Å²	30.3	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	94.8	163.4	-171.6	0	0	0	0	107.8	L240 T241 F405 A422 I437	L240-V419 HydrophobicContact CD1-CG2 3.87Å; T241-V419 WeakPolarHBondContact O-CB 3.21Å; T241-V419 PolarHBondContact O-N 2.86Å; F405-V419 HydrophobicContact CD1-CG2 4.22Å; F405-V419 HydrophobicContact CE1-CB 4.47Å; F405-V419 HydrophobicContact CE1-CG1 4.19Å; F405-V419 HydrophobicContact CE1-CG2 3.94Å; V419-A422 HydrophobicContact CG1-CB 4.18Å; V419-I437 HydrophobicContact CG1-CD1 4.34Å; V419-I437 HydrophobicContact CG2-CD1 3.86Å; V419-I437 HydrophobicContact CG2-CG1 4.16Å; V419-I437 HydrophobicContact CG2-CG2 4.43Å
420	R	92.6	Very high	90	Very high	1 Å²	1	25 Å²	25	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-20.9	-173.8	-61.6	-169.2	63.7	172.1	2.2	113.9	S247 S251 S257 P258 E259 P260 V404 D406 H418	S247-R420 PolarHBondContact OG-O 2.99Å; S251-R420 PolarHBondContact OG-NE 3.45Å; S251-R420 PolarHBondContact OG-NH2 2.97Å; S257-R420 PolarHBondContact O-NH1 3.29Å; S257-R420 PolarHBondContact O-NH2 3.41Å; P258-R420 PolarHBondContact O-NH2 2.81Å; E259-R420 PolarHBondContact O-NH1 3.22Å; E259-R420 PolarHBondContact O-NH2 3.28Å; E259-R420 VanDerWaalsContact O-NH2 3.1Å; P260-R420 PolarHBondContact O-NH2 2.79Å; V404-R420 HydrophobicContact CB-CB 3.99Å; V404-R420 HydrophobicContact CG1-CB 3.88Å; V404-R420 HydrophobicContact CG1-CG 4.5Å; V404-R420 WeakPolarHBondContact O-CB 3.47Å; V404-R420 PolarHBondContact O-N 3.12Å; D406-R420 VanDerWaalsContact CB-CD 3.49Å; D406-R420 HydrophobicContact CB-CG 4.2Å; D406-R420 IonicContact OD2-CZ 3.77Å; D406-R420 IonicContact OD2-NH1 3.67Å; D406-R420 PolarHBondContact OD2-NH1 2.82Å; H418-R420 HydrophobicContact CB-CG 3.77Å; H418-R420 PolarHBondContact O-N 2.89Å
421	N	90.4	Very high	90.6	Very high	9 Å²	9	23 Å²	23	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	124.5	171.2	-170.1	38.6	0	0	0	109.3	A392 V400 D402 F403 V404	A392-N421 HydrophobicContact CB-CB 3.93Å; A392-N421 WeakPolarHBondContact CB-OD1 3.29Å; V400-N421 PolarHBondContact O-ND2 2.84Å; D402-N421 PolarHBondContact O-ND2 2.84Å; F403-N421 WeakPolarHBondContact CA-O 3.31Å; F403-N421 WeakPolarHBondContact CD1-O 3.44Å; V404-N421 HydrophobicContact CB-CB 4.14Å; V404-N421 HydrophobicContact CG2-CB 4.06Å; V404-N421 PolarHBondContact N-O 2.82Å
422	A	84	Confident	91.2	Very high	33 Å²	33	17.1 Å²	17.1	27%	0.273	11%	0.109	S	C	.	.			trans	-123.7	89.1	169.1	0	0	0	0	0	106.9	V43 F403 V419 A426	V43-A422 HydrophobicContact CG2-CB 4.11Å; F403-A422 HydrophobicContact CE1-CB 4.04Å; V419-A422 HydrophobicContact CG1-CB 4.18Å; A422-A426 HydrophobicContact CB-CB 4.43Å
423	P	71.5	Confident	91.6	Very high	13 Å²	13	16.2 Å²	16.2	8%	0.084	10%	0.104	C	C	.	.			trans	-67.8	158.4	-168.5	29.1	-38.2	0	0	0	112.2	K93 D401 F403 A426	K93-P423 HydrophobicContact CD-CB 4.33Å; K93-P423 HydrophobicContact CD-CG 4.31Å; K93-P423 VanDerWaalsContact CE-CB 3.44Å; K93-P423 HydrophobicContact CG-CG 4.12Å; D401-P423 VanDerWaalsContact O-CG 3.3Å; D401-P423 WeakPolarHBondContact O-CG 3.49Å; F403-P423 HydrophobicContact CE2-CG 4.32Å; F403-P423 HydrophobicContact CZ-CG 4.5Å; P423-A426 WeakPolarHBondContact O-CB 3.43Å; P423-A426 PolarHBondContact O-N 2.87Å; P423-A426 VanDerWaalsContact O-N 3.09Å
424	S	70.6	Confident	92	Very high	74 Å²	74	16.1 Å²	16.1	52%	0.517	10%	0.103	S	C	.	.	S	Bend	trans	-55.2	135.6	168.5	-176.1	0	0	0	0	110.7
425	P	83.3	Confident	92.3	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.032	9%	0.089	C	C	.	.	S	Bend	cis	-101.6	70.6	13	38.5	-29	0	0	0	112.2	H82 Y87 C97 A427 T428 S429	H82-P425 HydrophobicContact CB-CB 4.02Å; H82-P425 HydrophobicContact CB-CG 4.26Å; Y87-P425 HydrophobicContact CE2-CG 3.92Å; Y87-P425 VanDerWaalsContact CZ-CD 3.5Å; Y87-P425 VanDerWaalsContact OH-CD 3.29Å; Y87-P425 WeakPolarHBondContact OH-CD 3.07Å; Y87-P425 WeakPolarHBondContact OH-CG 3.41Å; C97-P425 HydrophobicContact CB-CG 3.67Å; C97-P425 WeakPolarHBondContact SG-CG 3.45Å; P425-A427 PolarHBondContact O-N 2.93Å; P425-A427 VanDerWaalsContact O-N 3.12Å; P425-T428 PolarHBondContact O-N 3Å; P425-T428 VanDerWaalsContact O-N 3.12Å; P425-S429 WeakPolarHBondContact O-CB 3.39Å; P425-S429 PolarHBondContact O-N 2.94Å; P425-S429 PolarHBondContact O-OG 3.13Å
426	A	91.9	Very high	92.4	Very high	17 Å²	17	13.4 Å²	13.4	14%	0.14	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.1	-177.4	0	0	0	0	0	114.6	V43 A422 P423 S429 S430 I433	V43-A426 HydrophobicContact CG2-CB 4.24Å; A422-A426 HydrophobicContact CB-CB 4.43Å; P423-A426 WeakPolarHBondContact O-CB 3.43Å; P423-A426 PolarHBondContact O-N 2.87Å; P423-A426 VanDerWaalsContact O-N 3.09Å; A426-S429 CarbonylContact O-C 3.59Å; A426-S429 PolarHBondContact O-N 2.65Å; A426-S430 WeakPolarHBondContact O-CA 3.29Å; A426-S430 WeakPolarHBondContact O-CB 3.39Å; A426-S430 PolarHBondContact O-N 3.16Å; A426-I433 HydrophobicContact CB-CD1 4.09Å
427	A	95.8	Very high	92.4	Very high	21 Å²	21	13.4 Å²	13.4	17%	0.174	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-51.3	177.2	0	0	0	0	0	111.9	I42 W179 P425 S429 S430	I42-A427 HydrophobicContact CD1-CB 4.2Å; W179-A427 HydrophobicContact CB-CB 4.44Å; W179-A427 HydrophobicContact CD2-CB 3.69Å; W179-A427 HydrophobicContact CE3-CB 4.2Å; W179-A427 HydrophobicContact CG-CB 3.79Å; W179-A427 WeakPolarHBondContact CH2-O 3.45Å; W179-A427 HydrophobicContact CZ2-CB 4.44Å; W179-A427 WeakPolarHBondContact CZ3-O 3.28Å; P425-A427 PolarHBondContact O-N 2.93Å; P425-A427 VanDerWaalsContact O-N 3.12Å; A427-S429 PolarHBondContact O-N 2.94Å; A427-S430 VanDerWaalsContact O-CB 3.29Å; A427-S430 WeakPolarHBondContact O-CB 3.25Å; A427-S430 PolarHBondContact O-N 2.86Å; A427-S430 PolarHBondContact O-OG 3.06Å
428	T	97.1	Very high	92.5	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.012	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-39.6	172.9	-56.2	0	0	0	0	111.9	V80 I81 H82 G100 A101 P425 S430	V80-T428 PolarHBondContact O-OG1 2.96Å; I81-T428 HydrophobicContact CG2-CG2 4.04Å; H82-T428 HydrophobicContact CB-CG2 4.42Å; H82-T428 PolarHBondContact N-OG1 2.85Å; H82-T428 WeakPolarHBondContact O-CG2 3.36Å; G100-T428 CarbonylContact C-O 3.52Å; G100-T428 WeakPolarHBondContact CA-O 3.44Å; A101-T428 HydrophobicContact CB-CG2 3.97Å; P425-T428 PolarHBondContact O-N 3Å; P425-T428 VanDerWaalsContact O-N 3.12Å; T428-S430 VanDerWaalsContact C-N 3.32Å
429	S	96.4	Very high	92.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.6	-175.3	-46.2	0	0	0	0	113.1	C97 P425 A426 A427 L431 A432 I433	C97-S429 WeakPolarHBondContact CA-OG 3.21Å; P425-S429 WeakPolarHBondContact O-CB 3.39Å; P425-S429 PolarHBondContact O-N 2.94Å; P425-S429 PolarHBondContact O-OG 3.13Å; A426-S429 CarbonylContact O-C 3.59Å; A426-S429 PolarHBondContact O-N 2.65Å; A427-S429 PolarHBondContact O-N 2.94Å; S429-L431 PolarHBondContact O-N 2.9Å; S429-A432 PolarHBondContact O-N 2.85Å; S429-I433 WeakPolarHBondContact O-CB 3.29Å; S429-I433 VanDerWaalsContact O-CG1 3.28Å; S429-I433 WeakPolarHBondContact O-CG1 3.5Å; S429-I433 PolarHBondContact O-N 2.84Å
430	S	97.8	Very high	92.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-55.5	-44	-164.8	49.4	0	0	0	0	113.9	Y186 A426 A427 T428 I433 A434	Y186-S430 PolarHBondContact OH-OG 2.76Å; A426-S430 WeakPolarHBondContact O-CA 3.29Å; A426-S430 WeakPolarHBondContact O-CB 3.39Å; A426-S430 PolarHBondContact O-N 3.16Å; A427-S430 VanDerWaalsContact O-CB 3.29Å; A427-S430 WeakPolarHBondContact O-CB 3.25Å; A427-S430 PolarHBondContact O-N 2.86Å; A427-S430 PolarHBondContact O-OG 3.06Å; T428-S430 VanDerWaalsContact C-N 3.32Å; S430-I433 PolarHBondContact O-N 2.93Å; S430-A434 WeakPolarHBondContact O-CB 3.49Å; S430-A434 PolarHBondContact O-N 3.09Å
431	L	98.4	Very high	92.6	Very high	15 Å²	15	20.2 Å²	20.2	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-43.2	176.8	-68.1	167.9	0	0	0	112.5	L103 Y107 Y186 S429 I433 A434 E435	L103-L431 HydrophobicContact CB-CB 4.09Å; L103-L431 HydrophobicContact CB-CD1 3.91Å; L103-L431 HydrophobicContact CD1-CB 3.98Å; Y107-L431 HydrophobicContact CD2-CD1 4.34Å; Y107-L431 HydrophobicContact CG-CD1 4.1Å; Y186-L431 HydrophobicContact CE1-CD2 3.75Å; Y186-L431 HydrophobicContact CE1-CG 4.25Å; Y186-L431 WeakPolarHBondContact OH-CG 2.99Å; S429-L431 PolarHBondContact O-N 2.9Å; L431-I433 VanDerWaalsContact C-N 3.3Å; L431-I433 PolarHBondContact O-N 3.37Å; L431-A434 WeakPolarHBondContact O-CB 3.37Å; L431-A434 PolarHBondContact O-N 2.82Å; L431-E435 PolarHBondContact O-N 3.46Å; L431-E435 VanDerWaalsContact O-N 3.12Å
432	A	97	Very high	92.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-68	-32.7	178	0	0	0	0	0	112.2	L96 L103 S429 M436	L96-A432 HydrophobicContact CB-CB 4.46Å; L96-A432 HydrophobicContact CD2-CB 3.8Å; L103-A432 HydrophobicContact CD1-CB 4.07Å; S429-A432 PolarHBondContact O-N 2.85Å; A432-M436 PolarHBondContact O-N 3.33Å
433	I	96.6	Very high	93.3	Very high	2 Å²	2	25 Å²	25	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-69	-41.6	173	-71.4	172.6	0	0	0	110.3	V43 L96 F403 A426 S429 S430 L431 E435 M436 I437	V43-I433 HydrophobicContact CG1-CG2 4.16Å; L96-I433 HydrophobicContact CD1-CG1 4.02Å; F403-I433 HydrophobicContact CE1-CD1 4.02Å; F403-I433 HydrophobicContact CE1-CG1 3.99Å; F403-I433 HydrophobicContact CE1-CG2 3.84Å; F403-I433 HydrophobicContact CZ-CD1 3.58Å; F403-I433 HydrophobicContact CZ-CG1 3.54Å; F403-I433 HydrophobicContact CZ-CG2 4.28Å; A426-I433 HydrophobicContact CB-CD1 4.09Å; S429-I433 WeakPolarHBondContact O-CB 3.29Å; S429-I433 VanDerWaalsContact O-CG1 3.28Å; S429-I433 WeakPolarHBondContact O-CG1 3.5Å; S429-I433 PolarHBondContact O-N 2.84Å; S430-I433 PolarHBondContact O-N 2.93Å; L431-I433 VanDerWaalsContact C-N 3.3Å; L431-I433 PolarHBondContact O-N 3.37Å; I433-E435 VanDerWaalsContact C-N 3.32Å; I433-E435 PolarHBondContact O-N 2.91Å; I433-M436 PolarHBondContact O-N 3.32Å; I433-I437 HydrophobicContact CG2-CD1 3.49Å; I433-I437 VanDerWaalsContact CG2-CD1 3.49Å; I433-I437 HydrophobicContact CG2-CG1 4.18Å; I433-I437 WeakPolarHBondContact O-CB 3.36Å; I433-I437 VanDerWaalsContact O-CG1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.36Å; I433-I437 PolarHBondContact O-N 3.03Å
434	A	97.9	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-40.9	178.7	0	0	0	0	0	112.3	A46 E50 S430 L431 I437 S438	A46-A434 HydrophobicContact CB-CB 3.74Å; A46-A434 WeakPolarHBondContact O-CB 3.28Å; E50-A434 HydrophobicContact CB-CB 3.97Å; E50-A434 HydrophobicContact CG-CB 4.48Å; S430-A434 WeakPolarHBondContact O-CB 3.49Å; S430-A434 PolarHBondContact O-N 3.09Å; L431-A434 WeakPolarHBondContact O-CB 3.37Å; L431-A434 PolarHBondContact O-N 2.82Å; A434-I437 PolarHBondContact O-N 3.22Å; A434-S438 WeakPolarHBondContact O-CB 3.32Å; A434-S438 PolarHBondContact O-N 3.2Å; A434-S438 PolarHBondContact O-OG 3.21Å
435	E	97.3	Very high	95.4	Very high	37 Å²	37	24.8 Å²	24.8	17%	0.173	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-49.2	173.5	-67.7	164.6	151.7	0	0	111.3	E50 R99 L431 I433 I437 S438 D439	E50-E435 HydrophobicContact CG-CG 4.45Å; R99-E435 IonicContact CZ-OE1 3.93Å; R99-E435 IonicContact CZ-OE2 2.64Å; R99-E435 IonicContact NH1-OE2 3.01Å; R99-E435 PolarHBondContact NH1-OE2 3.01Å; R99-E435 IonicContact NH2-OE1 3Å; R99-E435 PolarHBondContact NH2-OE1 3.05Å; R99-E435 IonicContact NH2-OE2 3.92Å; R99-E435 PolarHBondContact NH2-OE2 3.36Å; L431-E435 PolarHBondContact O-N 3.46Å; L431-E435 VanDerWaalsContact O-N 3.12Å; I433-E435 VanDerWaalsContact C-N 3.32Å; I433-E435 PolarHBondContact O-N 2.91Å; E435-I437 VanDerWaalsContact C-N 3.34Å; E435-I437 PolarHBondContact O-N 3.4Å; E435-S438 WeakPolarHBondContact O-CB 3.23Å; E435-S438 PolarHBondContact O-N 2.97Å; E435-S438 VanDerWaalsContact O-N 3.08Å; E435-D439 PolarHBondContact O-N 3.5Å
436	M	95.3	Very high	95.8	Very high	42 Å²	42	32.7 Å²	32.7	21%	0.207	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-42.5	177.4	174.6	-174.4	-73.9	0	0	112.5	L92 L96 F403 F405 A432 I433 S438 D439 E440	L92-M436 HydrophobicContact CD1-CE 4.01Å; L92-M436 HydrophobicContact CD2-CE 3.74Å; L92-M436 HydrophobicContact CG-CE 4.39Å; L96-M436 HydrophobicContact CD1-CE 3.79Å; L96-M436 HydrophobicContact CD1-SD 4.29Å; L96-M436 HydrophobicContact CD2-CE 4.11Å; L96-M436 HydrophobicContact CG-CE 4.32Å; F403-M436 HydrophobicContact CD2-SD 4.23Å; F403-M436 HydrophobicContact CG-SD 4.35Å; F405-M436 HydrophobicContact CE2-CG 4.37Å; F405-M436 HydrophobicContact CE2-SD 4.29Å; F405-M436 HydrophobicContact CZ-CG 4.37Å; F405-M436 HydrophobicContact CZ-SD 4.34Å; A432-M436 PolarHBondContact O-N 3.33Å; I433-M436 PolarHBondContact O-N 3.32Å; M436-S438 VanDerWaalsContact C-N 3.29Å; M436-D439 PolarHBondContact O-N 2.94Å; M436-E440 PolarHBondContact O-N 3.13Å; M436-E440 VanDerWaalsContact O-N 3.09Å
437	I	96.8	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-40.3	176	-71	167	0	0	0	110	V43 S47 L240 F405 V419 I433 A434 E435 E440 V441	V43-I437 HydrophobicContact CG1-CD1 3.69Å; S47-I437 VanDerWaalsContact OG-CD1 3.27Å; S47-I437 WeakPolarHBondContact OG-CD1 3.29Å; L240-I437 HydrophobicContact CD1-CG2 3.73Å; L240-I437 HydrophobicContact CD2-CG2 3.67Å; L240-I437 HydrophobicContact CG-CG2 4.37Å; F405-I437 HydrophobicContact CE1-CG1 3.84Å; F405-I437 HydrophobicContact CZ-CG1 3.96Å; V419-I437 HydrophobicContact CG1-CD1 4.34Å; V419-I437 HydrophobicContact CG2-CD1 3.86Å; V419-I437 HydrophobicContact CG2-CG1 4.16Å; V419-I437 HydrophobicContact CG2-CG2 4.43Å; I433-I437 HydrophobicContact CG2-CD1 3.49Å; I433-I437 VanDerWaalsContact CG2-CD1 3.49Å; I433-I437 HydrophobicContact CG2-CG1 4.18Å; I433-I437 WeakPolarHBondContact O-CB 3.36Å; I433-I437 VanDerWaalsContact O-CG1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.36Å; I433-I437 PolarHBondContact O-N 3.03Å; A434-I437 PolarHBondContact O-N 3.22Å; E435-I437 VanDerWaalsContact C-N 3.34Å; E435-I437 PolarHBondContact O-N 3.4Å; I437-E440 PolarHBondContact O-N 3.31Å; I437-V441 HydrophobicContact CG2-CG2 4.27Å; I437-V441 WeakPolarHBondContact O-CB 3.36Å; I437-V441 VanDerWaalsContact O-CG2 3.26Å; I437-V441 WeakPolarHBondContact O-CG2 3.25Å; I437-V441 PolarHBondContact O-N 3.18Å
438	S	97.4	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.6	-42.4	179.7	-55.7	0	0	0	0	111.2	E50 A434 E435 M436 E440 V441 E442	E50-S438 WeakPolarHBondContact CG-OG 3.49Å; A434-S438 WeakPolarHBondContact O-CB 3.32Å; A434-S438 PolarHBondContact O-N 3.2Å; A434-S438 PolarHBondContact O-OG 3.21Å; E435-S438 WeakPolarHBondContact O-CB 3.23Å; E435-S438 PolarHBondContact O-N 2.97Å; E435-S438 VanDerWaalsContact O-N 3.08Å; M436-S438 VanDerWaalsContact C-N 3.29Å; S438-E440 VanDerWaalsContact C-N 3.29Å; S438-E440 PolarHBondContact O-N 2.68Å; S438-V441 PolarHBondContact O-N 2.76Å; S438-E442 WeakPolarHBondContact O-CB 3.3Å; S438-E442 VanDerWaalsContact O-CG 3.32Å; S438-E442 WeakPolarHBondContact O-CG 3.16Å; S438-E442 PolarHBondContact O-N 2.86Å
439	D	96.6	Very high	95.4	Very high	86 Å²	86	37.9 Å²	37.9	46%	0.46	19%	0.194	S	C	.	.	H	α-helix	trans	-57.8	-42	173.5	-58.7	-16.9	0	0	0	111.3	R54 E435 M436 S443	R54-D439 IonicContact CZ-OD1 2.72Å; R54-D439 IonicContact NH1-OD1 3.99Å; R54-D439 PolarHBondContact NH1-OD1 3.11Å; R54-D439 IonicContact NH2-OD1 3.44Å; R54-D439 PolarHBondContact NH2-OD1 2.77Å; E435-D439 PolarHBondContact O-N 3.5Å; M436-D439 PolarHBondContact O-N 2.94Å; D439-S443 VanDerWaalsContact O-CB 3.24Å; D439-S443 WeakPolarHBondContact O-CB 3.24Å; D439-S443 PolarHBondContact O-N 3.26Å
440	E	95.6	Very high	95.3	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	20%	0.204	S	C	.	.	H	α-helix	trans	-67.9	-41.1	176.7	-178	64.4	-159.4	0	0	112.2	F405 L417 M436 I437 S438 R444	F405-E440 HydrophobicContact CD2-CG 4.21Å; F405-E440 HydrophobicContact CG-CG 4.31Å; L417-E440 HydrophobicContact CD1-CG 3.94Å; L417-E440 HydrophobicContact CD2-CB 4.13Å; L417-E440 HydrophobicContact CD2-CG 3.63Å; L417-E440 HydrophobicContact CG-CG 4.46Å; M436-E440 PolarHBondContact O-N 3.13Å; M436-E440 VanDerWaalsContact O-N 3.09Å; I437-E440 PolarHBondContact O-N 3.31Å; S438-E440 VanDerWaalsContact C-N 3.29Å; S438-E440 PolarHBondContact O-N 2.68Å; E440-R444 WeakPolarHBondContact O-CB 3.43Å; E440-R444 PolarHBondContact O-N 2.63Å
441	V	96.4	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-47.4	175.9	167.8	0	0	0	0	110.8	L51 L240 L417 I437 S438 R444 F445 L447	L51-V441 HydrophobicContact CD1-CG1 4.33Å; L51-V441 HydrophobicContact CD1-CG2 4.47Å; L51-V441 HydrophobicContact CD2-CB 4.03Å; L51-V441 HydrophobicContact CD2-CG1 3.73Å; L240-V441 HydrophobicContact CD1-CG2 4.17Å; L240-V441 HydrophobicContact CD2-CG2 4.37Å; L417-V441 HydrophobicContact CD2-CG2 3.51Å; I437-V441 HydrophobicContact CG2-CG2 4.27Å; I437-V441 WeakPolarHBondContact O-CB 3.36Å; I437-V441 VanDerWaalsContact O-CG2 3.26Å; I437-V441 WeakPolarHBondContact O-CG2 3.25Å; I437-V441 PolarHBondContact O-N 3.18Å; S438-V441 PolarHBondContact O-N 2.76Å; V441-R444 PolarHBondContact O-N 3.04Å; V441-F445 HydrophobicContact CB-CD2 4.49Å; V441-F445 HydrophobicContact CG1-CD2 3.65Å; V441-F445 HydrophobicContact CG1-CE2 3.95Å; V441-F445 HydrophobicContact CG2-CE2 4.49Å; V441-F445 WeakPolarHBondContact O-CB 3.25Å; V441-F445 PolarHBondContact O-N 3.31Å; V441-L447 HydrophobicContact CG1-CD1 3.74Å
442	E	95.8	Very high	95	Very high	53 Å²	53	43.9 Å²	43.9	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-49.8	177	-76.7	168.6	-147.3	0	0	111.2	R54 H55 S438 R444 M446 L447	R54-E442 WeakPolarHBondContact CD-OE1 3.45Å; R54-E442 IonicContact CZ-OE1 2.97Å; R54-E442 IonicContact NE-OE1 3.94Å; R54-E442 IonicContact NH1-OE1 3.34Å; R54-E442 PolarHBondContact NH1-OE1 2.97Å; R54-E442 IonicContact NH1-OE2 3.88Å; H55-E442 VanDerWaalsContact NE2-CG 3.27Å; H55-E442 WeakPolarHBondContact NE2-CG 3.32Å; H55-E442 IonicContact NE2-OE1 2.69Å; H55-E442 PolarHBondContact NE2-OE1 2.85Å; S438-E442 WeakPolarHBondContact O-CB 3.3Å; S438-E442 VanDerWaalsContact O-CG 3.32Å; S438-E442 WeakPolarHBondContact O-CG 3.16Å; S438-E442 PolarHBondContact O-N 2.86Å; E442-R444 PolarHBondContact O-N 2.87Å; E442-M446 WeakPolarHBondContact O-CA 3.33Å; E442-M446 PolarHBondContact O-N 3.21Å; E442-L447 PolarHBondContact O-N 3.08Å
443	S	94.7	Very high	94.9	Very high	90 Å²	90	46.8 Å²	46.8	63%	0.629	24%	0.238	S	C	*	.	H	α-helix	trans	-59.3	-47.6	177.7	178.3	0	0	0	0	111.8	D439	D439-S443 VanDerWaalsContact O-CB 3.24Å; D439-S443 WeakPolarHBondContact O-CB 3.24Å; D439-S443 PolarHBondContact O-N 3.26Å
444	R	92.5	Very high	94.7	Very high	79 Å²	79	50 Å²	50	30%	0.298	25%	0.254	S	S	.	.	H	α-helix	trans	-73.9	-37.6	-173.4	-172.1	170.7	-176.6	139.9	5.1	113.3	G413 E440 V441 E442	G413-R444 PolarHBondContact O-NH2 3.01Å; E440-R444 WeakPolarHBondContact O-CB 3.43Å; E440-R444 PolarHBondContact O-N 2.63Å; V441-R444 PolarHBondContact O-N 3.04Å; E442-R444 PolarHBondContact O-N 2.87Å
445	F	93.2	Very high	94.5	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-102.4	-2.5	-175.5	-56.7	-31.6	0	0	0	113.7	Y238 R415 L417 V441 L447	Y238-F445 HydrophobicContact CD1-CB 3.87Å; Y238-F445 AromaticContact CD1-CD1 3.52Å; Y238-F445 HydrophobicContact CD1-CD1 3.52Å; Y238-F445 AromaticContact CD1-CD2 3.86Å; Y238-F445 HydrophobicContact CD1-CD2 3.86Å; Y238-F445 AromaticContact CD1-CE1 3.99Å; Y238-F445 HydrophobicContact CD1-CE1 3.99Å; Y238-F445 HydrophobicContact CD1-CE2 4.3Å; Y238-F445 AromaticContact CD1-CG 3.46Å; Y238-F445 HydrophobicContact CD1-CG 3.46Å; Y238-F445 VanDerWaalsContact CD1-CG 3.46Å; Y238-F445 HydrophobicContact CD1-CZ 4.36Å; Y238-F445 HydrophobicContact CD2-CB 4.13Å; Y238-F445 HydrophobicContact CD2-CD2 4.24Å; Y238-F445 HydrophobicContact CD2-CG 4.26Å; Y238-F445 HydrophobicContact CE1-CB 3.78Å; Y238-F445 AromaticContact CE1-CD1 3.86Å; Y238-F445 HydrophobicContact CE1-CD1 3.86Å; Y238-F445 AromaticContact CE1-CG 3.84Å; Y238-F445 HydrophobicContact CE1-CG 3.84Å; Y238-F445 HydrophobicContact CE2-CB 4Å; Y238-F445 HydrophobicContact CG-CB 4.05Å; Y238-F445 HydrophobicContact CG-CD1 4.2Å; Y238-F445 AromaticContact CG-CD2 3.65Å; Y238-F445 HydrophobicContact CG-CD2 3.65Å; Y238-F445 HydrophobicContact CG-CE2 4.14Å; Y238-F445 AromaticContact CG-CG 3.71Å; Y238-F445 HydrophobicContact CG-CG 3.71Å; Y238-F445 PolarHBondContact OH-O 3.35Å; R415-F445 VanDerWaalsContact C-CE1 3.44Å; R415-F445 WeakPolarHBondContact O-CZ 3.38Å; L417-F445 HydrophobicContact CB-CE2 4.45Å; L417-F445 HydrophobicContact CB-CZ 3.96Å; V441-F445 HydrophobicContact CB-CD2 4.49Å; V441-F445 HydrophobicContact CG1-CD2 3.65Å; V441-F445 HydrophobicContact CG1-CE2 3.95Å; V441-F445 HydrophobicContact CG2-CE2 4.49Å; V441-F445 WeakPolarHBondContact O-CB 3.25Å; V441-F445 PolarHBondContact O-N 3.31Å; F445-L447 HydrophobicContact CB-CD2 4.05Å; F445-L447 HydrophobicContact CB-CG 3.93Å
446	M	90.3	Very high	94.3	Very high	170 Å²	170	55.3 Å²	55.3	84%	0.837	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	52.6	-178.4	-58.7	177.6	-76.4	0	0	111.5	E442	E442-M446 WeakPolarHBondContact O-CA 3.33Å; E442-M446 PolarHBondContact O-N 3.21Å
447	L	86.6	Confident	94.2	Very high	75 Å²	75	56.5 Å²	56.5	39%	0.393	29%	0.289	S	S	.	.			trans	-81.1	0	-177.7	-62.6	-175	0	0	0	114.4	V35 L58 Y238 V441 E442 F445	V35-L447 HydrophobicContact CG2-CD1 4.39Å; L58-L447 HydrophobicContact CD1-CD1 4.17Å; L58-L447 HydrophobicContact CD1-CD2 4.09Å; Y238-L447 HydrophobicContact CD2-CD2 3.87Å; Y238-L447 HydrophobicContact CE2-CD2 3.57Å; V441-L447 HydrophobicContact CG1-CD1 3.74Å; E442-L447 PolarHBondContact O-N 3.08Å; F445-L447 HydrophobicContact CB-CD2 4.05Å; F445-L447 HydrophobicContact CB-CG 3.93Å

Retrieved 447 of 447 residues in 478.2 ms (Link to these results)

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