A0A077ZE26_TRITR Loading...

Ubiquinone biosynthesis monooxygenase COQ6

AlphaFold DB , UniProt , Accession A0A077ZE26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 472 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	29.3	Very low	30.1	Very low	239 Å²	239	170.5 Å²	170.5	100%	1.177	84%	0.838	S	S	*	*				0	98.4	0	-158.7	174.2	-95.5	0	0	106.8
2	F	32.4	Very low	30.3	Very low	194 Å²	194	163.9 Å²	163.9	85%	0.851	83%	0.83	S	S	*	*			trans	20.3	103.6	176	-74.7	-94.1	0	0	0	120.9
3	V	35.5	Very low	30	Very low	117 Å²	117	158.2 Å²	158.2	71%	0.709	82%	0.824	S	S	*	*				83	120.2	99.8	169.4	0	0	0	0	111.8
4	R	33.2	Very low	29.7	Very low	240 Å²	240	156.3 Å²	156.3	91%	0.906	83%	0.828	S	S	*	*			cis	-160.1	134.7	21.3	-134.9	166.3	-172.7	178.7	0.3	109.3
5	F	28.8	Very low	29.6	Very low	186 Å²	186	153.2 Å²	153.2	82%	0.816	83%	0.834	S	S	*	*			trans	-107.4	130.1	172.9	-128.3	-104.8	0	0	0	109
6	Q	27.8	Very low	29.7	Very low	158 Å²	158	148.3 Å²	148.3	74%	0.738	83%	0.83	S	S	*	*			trans	34.4	127.6	135.8	-80.9	-159.1	-2.1	0	0	122.6
7	S	28.1	Very low	29.5	Very low	90 Å²	90	152.9 Å²	152.9	63%	0.629	83%	0.831	S	S	*	*				112.9	148.1	111.3	75.6	0	0	0	0	121.2
8	K	31.6	Very low	29.7	Very low	180 Å²	180	149.5 Å²	149.5	78%	0.783	83%	0.827	S	S	*	*			trans	90.2	106.3	154	-65.5	177.7	-174.6	-177.5	0	116.8
9	L	26	Very low	29.7	Very low	159 Å²	159	151.1 Å²	151.1	83%	0.832	83%	0.825	S	S	*	*				62.1	99.3	85.3	-97.1	127.7	0	0	0	111.6
10	F	27.7	Very low	29.7	Very low	210 Å²	210	149.6 Å²	149.6	92%	0.921	82%	0.821	S	S	*	*			trans	178.8	106.5	134	-109	-78.7	0	0	0	109.3
11	A	31	Very low	29.9	Very low	103 Å²	103	147.3 Å²	147.3	85%	0.851	81%	0.813	S	S	*	*			trans	-160.9	103.3	150.3	0	0	0	0	0	108.3
12	A	32.1	Very low	30.2	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	80%	0.798	S	S	*	*			trans	-69.3	134.4	175.2	0	0	0	0	0	110.5
13	A	26.5	Very low	30.3	Very low	90 Å²	90	140.7 Å²	140.7	74%	0.744	79%	0.79	S	S	*	*				82	135.4	109.3	0	0	0	0	0	117.1
14	C	26	Very low	30.4	Very low	131 Å²	131	143.5 Å²	143.5	89%	0.885	80%	0.795	S	S	*	*			trans	80.6	91.9	165.1	-64.6	0	0	0	0	118.3
15	A	28.8	Very low	30.6	Very low	110 Å²	110	139.8 Å²	139.8	91%	0.909	79%	0.786	S	S	*	*				163.2	132.5	123.4	0	0	0	0	0	110.2
16	G	30.2	Very low	31.1	Very low	75 Å²	75	136.8 Å²	136.8	77%	0.773	79%	0.787	S	S	*	*			trans	136.8	81.3	162.7	0	0	0	0	0	114.4	A18	G16-A18 PolarHBondContact O-N 2.95Å
17	R	26.9	Very low	32.4	Very low	227 Å²	227	133.5 Å²	133.5	86%	0.857	78%	0.781	S	S	*	*			trans	-51.1	108	156.8	-71.4	171.9	171.1	-178.7	-3.4	109	F19	R17-F19 HydrophobicContact CB-CD2 4.4Å
18	A	32.7	Very low	34.2	Very low	91 Å²	91	138.3 Å²	138.3	75%	0.752	79%	0.79	S	S	*	*			trans	-94.3	88.6	158.1	0	0	0	0	0	107.2	G16 T20	G16-A18 PolarHBondContact O-N 2.95Å; A18-T20 PolarHBondContact O-N 3.42Å
19	F	29.3	Very low	36.3	Very low	179 Å²	179	132 Å²	132	79%	0.785	77%	0.768	S	S	*	*			trans	-58.1	106.6	160.8	-99.3	-96.3	0	0	0	107.3	R17 P21	R17-F19 HydrophobicContact CB-CD2 4.4Å; F19-P21 WeakPolarHBondContact O-CD 3.35Å
20	T	30.7	Very low	39.4	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	75%	0.749	S	S	*	*			trans	-74.4	113.5	161.3	-28.8	0	0	0	0	106	A18 L22	A18-T20 PolarHBondContact O-N 3.42Å; T20-L22 PolarHBondContact O-N 3.04Å
21	P	33.1	Very low	42.7	Very low	102 Å²	102	123 Å²	123	66%	0.662	73%	0.733	S	S	*	*			trans	-75.5	98.8	177	30.1	-27.5	0	0	0	107.2	F19 L23	F19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-L23 HydrophobicContact CB-CG 4.49Å; P21-L23 PolarHBondContact O-N 3.03Å
22	L	35.4	Very low	45.9	Very low	165 Å²	165	119.7 Å²	119.7	86%	0.864	70%	0.699	S	S	*	*			trans	-68.7	64.3	153.9	-86.6	163.7	0	0	0	108.2	T20 H24	T20-L22 PolarHBondContact O-N 3.04Å; L22-H24 PolarHBondContact O-N 3.11Å
23	L	34.5	Very low	49	Very low	128 Å²	128	116.9 Å²	116.9	67%	0.67	67%	0.671	S	S	*	*			trans	-93.3	69.4	158.6	-74.2	172.2	0	0	0	106.5	P21 F25	P21-L23 HydrophobicContact CB-CG 4.49Å; P21-L23 PolarHBondContact O-N 3.03Å; L23-F25 HydrophobicContact CB-CD2 4.44Å; L23-F25 HydrophobicContact CD2-CD2 3.98Å; L23-F25 HydrophobicContact CD2-CE2 4.12Å; L23-F25 PolarHBondContact O-N 3.35Å
24	H	37.7	Very low	52.4	Low	177 Å²	177	112.6 Å²	112.6	82%	0.819	64%	0.636	S	S	*	*			trans	-69.8	77.2	148.1	-128.3	69.2	0	0	0	105	L22 C26	L22-H24 PolarHBondContact O-N 3.11Å; H24-C26 PolarHBondContact O-N 3.2Å
25	F	37.5	Very low	55.9	Low	162 Å²	162	106.4 Å²	106.4	71%	0.711	59%	0.594	S	S	*	*			trans	-60.2	101.1	163.3	-119.7	-93.1	0	0	0	104.2	L23 S27	L23-F25 HydrophobicContact CB-CD2 4.44Å; L23-F25 HydrophobicContact CD2-CD2 3.98Å; L23-F25 HydrophobicContact CD2-CE2 4.12Å; L23-F25 PolarHBondContact O-N 3.35Å; F25-S27 PolarHBondContact O-N 3.45Å
26	C	39.5	Very low	59.2	Low	123 Å²	123	101.1 Å²	101.1	83%	0.831	55%	0.551	S	S	*	*			trans	-70.9	67.2	164.9	-153.5	0	0	0	0	105.9	H24 K28	H24-C26 PolarHBondContact O-N 3.2Å; C26-K28 PolarHBondContact O-N 2.9Å
27	S	55.3	Low	62.4	Low	89 Å²	89	98 Å²	98	62%	0.622	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-60.9	118.2	166	48.7	0	0	0	0	105.3	F25	F25-S27 PolarHBondContact O-N 3.45Å
28	K	66	Low	65.8	Low	190 Å²	190	87.8 Å²	87.8	83%	0.826	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-46.1	135.1	173.6	-77.4	-176.4	175.8	-179.1	0	108.6	C26 Q30	C26-K28 PolarHBondContact O-N 2.9Å; K28-Q30 PolarHBondContact O-N 3.46Å
29	P	76	Confident	68.7	Low	48 Å²	48	84.1 Å²	84.1	31%	0.312	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-55.9	139.2	178.9	22.5	-31.2	0	0	0	109.1	C31 V194 Q196	P29-C31 PolarHBondContact O-N 3.24Å; P29-V194 WeakPolarHBondContact CA-O 3.44Å; P29-V194 HydrophobicContact CB-CG1 4.39Å; P29-Q196 HydrophobicContact CB-CG 3.93Å; P29-Q196 HydrophobicContact CG-CG 4.18Å
30	Q	90.5	Very high	71.9	Confident	91 Å²	91	77.3 Å²	77.3	43%	0.425	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130	173.3	-63.7	177.9	7.7	0	0	107.9	K28 Y32 V194 I195 Q196	K28-Q30 PolarHBondContact O-N 3.46Å; Q30-Y32 HydrophobicContact CB-CE2 3.95Å; Q30-V194 PolarHBondContact N-O 2.8Å; Q30-I195 HydrophobicContact CB-CD1 3.83Å; Q30-I195 HydrophobicContact CG-CD1 4.37Å; Q30-Q196 PolarHBondContact O-N 3.32Å
31	C	96.2	Very high	75	Confident	88 Å²	88	73 Å²	73	60%	0.595	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.9	-176.6	-61.3	0	0	0	0	110.5	P29 Q196	P29-C31 PolarHBondContact O-N 3.24Å; C31-Q196 CarbonylContact C-O 3.48Å; C31-Q196 WeakPolarHBondContact CA-O 3.34Å
32	Y	98.1	Very high	78	Confident	34 Å²	34	69 Å²	69	13%	0.133	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	157.2	174	-67.8	-89.4	0	0	0	110.1	Q30 S60 L62 I195 Q196 A197 R198	Q30-Y32 HydrophobicContact CB-CE2 3.95Å; Y32-S60 WeakPolarHBondContact CA-OG 3.41Å; Y32-L62 HydrophobicContact CD1-CB 3.81Å; Y32-L62 HydrophobicContact CD2-CB 3.76Å; Y32-L62 HydrophobicContact CD2-CD2 4.1Å; Y32-L62 HydrophobicContact CD2-CG 4.42Å; Y32-L62 HydrophobicContact CE1-CB 3.97Å; Y32-L62 HydrophobicContact CE1-CD1 4.45Å; Y32-L62 HydrophobicContact CE2-CB 3.93Å; Y32-L62 HydrophobicContact CE2-CD1 4.13Å; Y32-L62 HydrophobicContact CE2-CD2 3.96Å; Y32-L62 HydrophobicContact CE2-CG 4.23Å; Y32-L62 HydrophobicContact CG-CB 3.69Å; Y32-I195 HydrophobicContact CD2-CG2 3.77Å; Y32-I195 HydrophobicContact CE2-CG2 4.22Å; Y32-Q196 PolarHBondContact N-O 2.8Å; Y32-A197 VanDerWaalsContact O-CA 3.24Å; Y32-A197 WeakPolarHBondContact O-CA 3.31Å; Y32-R198 PolarHBondContact O-N 2.61Å; Y32-R198 VanDerWaalsContact O-N 3.15Å
33	D	97.8	Very high	81	Confident	33 Å²	33	61.2 Å²	61.2	18%	0.176	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-46.3	169.7	-62.8	-67.7	0	0	0	109.4	Q59 S60 R198 L199 I402	D33-Q59 HydrophobicContact CB-CB 3.97Å; D33-S60 PolarHBondContact N-O 3.21Å; D33-S60 PolarHBondContact N-OG 2.9Å; D33-S60 PolarHBondContact OD2-N 3.35Å; D33-S60 PolarHBondContact OD2-OG 3.38Å; D33-R198 CarbonylContact O-C 3.33Å; D33-R198 WeakPolarHBondContact O-CA 3.37Å; D33-R198 WeakPolarHBondContact O-CB 3.47Å; D33-R198 PolarHBondContact O-N 3.32Å; D33-R198 VanDerWaalsContact O-N 3.09Å; D33-R198 WeakPolarHBondContact OD1-CD 3.45Å; D33-R198 IonicContact OD1-NH1 2.82Å; D33-R198 PolarHBondContact OD1-NH1 2.81Å; D33-L199 PolarHBondContact O-N 2.82Å; D33-I402 HydrophobicContact CB-CD1 4Å; D33-I402 WeakPolarHBondContact O-CD1 3.23Å
34	I	98.5	Very high	84	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.4	-177.5	-57.7	173.1	0	0	0	110	I36 Q59 S60 V61 L62 L199 I201 L392 I402	I34-I36 HydrophobicContact CG2-CG1 3.92Å; I34-Q59 HydrophobicContact CD1-CB 4.15Å; I34-Q59 HydrophobicContact CD1-CG 4.39Å; I34-S60 PolarHBondContact N-O 2.67Å; I34-V61 HydrophobicContact CB-CG2 4.29Å; I34-V61 CarbonylContact O-C 3.5Å; I34-V61 VanDerWaalsContact O-CA 3.31Å; I34-V61 WeakPolarHBondContact O-CA 3.08Å; I34-L62 PolarHBondContact O-N 2.95Å; I34-L199 CarbonylContact C-O 3.56Å; I34-L199 WeakPolarHBondContact CA-O 3.24Å; I34-I201 HydrophobicContact CG2-CD1 3.59Å; I34-I201 HydrophobicContact CG2-CG1 3.98Å; I34-L392 HydrophobicContact CD1-CD1 4.47Å; I34-I402 HydrophobicContact CD1-CD1 4.32Å; I34-I402 HydrophobicContact CG1-CD1 3.65Å
35	A	98.5	Very high	86.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.3	163.9	0	0	0	0	0	109.7	L62 L187 A197 L199 L200 I201	A35-L62 CarbonylContact C-O 3.51Å; A35-L62 WeakPolarHBondContact CA-O 3.49Å; A35-L187 HydrophobicContact CB-CD1 3.71Å; A35-A197 HydrophobicContact CB-CB 3.56Å; A35-L199 PolarHBondContact N-O 2.84Å; A35-L200 HydrophobicContact CB-CD1 4.39Å; A35-L200 CarbonylContact O-C 3.54Å; A35-L200 WeakPolarHBondContact O-CA 3.36Å; A35-I201 PolarHBondContact O-N 3.36Å
36	I	98.6	Very high	89.8	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.6	175.3	-56	171.4	0	0	0	107.7	I34 M46 A47 V61 L62 F63 I64 I201	I34-I36 HydrophobicContact CG2-CG1 3.92Å; I36-M46 HydrophobicContact CD1-CB 4.1Å; I36-M46 HydrophobicContact CD1-CG 3.68Å; I36-M46 HydrophobicContact CG1-CG 4.2Å; I36-M46 HydrophobicContact CG2-CB 4.46Å; I36-A47 HydrophobicContact CD1-CB 4.04Å; I36-V61 HydrophobicContact CD1-CG1 3.69Å; I36-V61 HydrophobicContact CG1-CG1 4.12Å; I36-L62 PolarHBondContact N-O 2.97Å; I36-F63 HydrophobicContact CB-CD2 4.11Å; I36-F63 HydrophobicContact CG2-CD2 3.94Å; I36-F63 HydrophobicContact CG2-CE2 4.3Å; I36-I64 PolarHBondContact O-N 2.77Å; I36-I201 WeakPolarHBondContact CA-O 3Å; I36-I201 HydrophobicContact CG1-CB 4.28Å; I36-I201 HydrophobicContact CG1-CD1 4.28Å
37	V	98.2	Very high	92.6	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.9	179.7	-179.4	0	0	0	0	109.6	I64 V172 L187 L200 I201 A203 D204	V37-I64 HydrophobicContact CG2-CB 4.42Å; V37-I64 HydrophobicContact CG2-CD1 4.1Å; V37-V172 HydrophobicContact CG1-CG2 4.07Å; V37-V172 HydrophobicContact CG2-CG2 3.96Å; V37-L187 HydrophobicContact CG2-CD1 4.36Å; V37-L200 HydrophobicContact CB-CD1 4.32Å; V37-L200 HydrophobicContact CG2-CD1 3.52Å; V37-I201 PolarHBondContact N-O 3.44Å; V37-A203 CarbonylContact O-C 3.54Å; V37-A203 VanDerWaalsContact O-C 3.23Å; V37-A203 WeakPolarHBondContact O-CA 3.38Å; V37-A203 PolarHBondContact O-N 2.89Å; V37-D204 HydrophobicContact CG1-CB 4.35Å; V37-D204 PolarHBondContact O-N 3.48Å
38	G	96.9	Very high	94.6	Very high	11 Å²	11	28.9 Å²	28.9	11%	0.113	16%	0.164	C	C	.	.			trans	130.8	116.3	174	0	0	0	0	0	113.7	G40 G43 I64	G38-G40 VanDerWaalsContact C-N 3.27Å; G38-G40 PolarHBondContact O-N 3.2Å; G38-G43 WeakPolarHBondContact O-CA 3.42Å; G38-I64 PolarHBondContact N-O 2.96Å
39	G	95	Very high	96.2	Very high	15 Å²	15	20.1 Å²	20.1	16%	0.155	13%	0.127	C	C	.	.			trans	-76.1	3.6	-177.5	0	0	0	0	0	117.7	C44 D65 R155	G39-C44 PolarHBondContact O-SG 3.29Å; G39-C44 VanDerWaalsContact O-SG 3.33Å; G39-D65 WeakPolarHBondContact CA-OD1 3.46Å; G39-R155 PolarHBondContact O-NH2 3.02Å; G39-R155 VanDerWaalsContact O-NH2 3.11Å
40	G	95	Very high	97.2	Very high	36 Å²	36	17.8 Å²	17.8	37%	0.371	11%	0.112	S	C	.	.	S	Bend	trans	-75.1	-177.7	-175.4	0	0	0	0	0	113.7	G38 V42 G43 C44	G38-G40 VanDerWaalsContact C-N 3.27Å; G38-G40 PolarHBondContact O-N 3.2Å; G40-V42 VanDerWaalsContact C-N 3.31Å; G40-V42 PolarHBondContact O-N 3.11Å; G40-G43 PolarHBondContact O-N 3.1Å; G40-C44 WeakPolarHBondContact O-CB 3.27Å; G40-C44 PolarHBondContact O-N 2.98Å; G40-C44 PolarHBondContact O-SG 3.05Å
41	M	95.6	Very high	97.5	Very high	31 Å²	31	13.5 Å²	13.5	15%	0.153	9%	0.092	C	C	.	.	H	α-helix	trans	-57.3	-42.4	-178.3	-73.1	-177.5	-73.5	0	0	112.7	A45 N147 I150 L151 V378 F382	M41-A45 VanDerWaalsContact O-CB 3.25Å; M41-A45 WeakPolarHBondContact O-CB 3.02Å; M41-A45 PolarHBondContact O-N 2.86Å; M41-N147 HydrophobicContact CE-CB 4.4Å; M41-N147 HydrophobicContact SD-CB 4.15Å; M41-I150 HydrophobicContact SD-CB 4.45Å; M41-I150 HydrophobicContact SD-CD1 4.23Å; M41-I150 HydrophobicContact SD-CG2 4.47Å; M41-L151 HydrophobicContact CB-CD2 4.37Å; M41-L151 HydrophobicContact CG-CD1 4.4Å; M41-L151 HydrophobicContact CG-CD2 3.81Å; M41-L151 HydrophobicContact CG-CG 3.79Å; M41-V378 HydrophobicContact CB-CG2 4.14Å; M41-V378 HydrophobicContact CE-CB 4.2Å; M41-V378 HydrophobicContact CE-CG2 3.53Å; M41-V378 HydrophobicContact SD-CG2 3.87Å; M41-F382 HydrophobicContact CB-CE1 4.25Å; M41-F382 HydrophobicContact CB-CZ 4.14Å
42	V	97.4	Very high	97.4	Very high	19 Å²	19	10.8 Å²	10.8	12%	0.115	7%	0.072	C	C	.	.	H	α-helix	trans	-69.3	-45.1	-179	-179.7	0	0	0	0	111.3	G40 A45 M46 V363 V385	G40-V42 VanDerWaalsContact C-N 3.31Å; G40-V42 PolarHBondContact O-N 3.11Å; V42-A45 PolarHBondContact O-N 2.85Å; V42-M46 PolarHBondContact O-N 3.34Å; V42-V363 HydrophobicContact CG1-CB 3.97Å; V42-V363 HydrophobicContact CG1-CG2 3.74Å; V42-V385 HydrophobicContact CG1-CG2 3.75Å; V42-V385 WeakPolarHBondContact O-CG2 3.33Å
43	G	98.1	Very high	97.3	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-42.1	176.7	0	0	0	0	0	112.5	G38 G40 A45 M46 A47	G38-G43 WeakPolarHBondContact O-CA 3.42Å; G40-G43 PolarHBondContact O-N 3.1Å; G43-A45 VanDerWaalsContact C-N 3.31Å; G43-A45 PolarHBondContact O-N 2.82Å; G43-M46 PolarHBondContact O-N 2.63Å; G43-A47 PolarHBondContact O-N 3.47Å
44	C	97.7	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-38.4	173	-71.2	0	0	0	0	111.8	G39 G40 A47 C48 L151 L154 F158	G39-C44 PolarHBondContact O-SG 3.29Å; G39-C44 VanDerWaalsContact O-SG 3.33Å; G40-C44 WeakPolarHBondContact O-CB 3.27Å; G40-C44 PolarHBondContact O-N 2.98Å; G40-C44 PolarHBondContact O-SG 3.05Å; C44-A47 PolarHBondContact O-N 3.07Å; C44-C48 VanDerWaalsContact O-CB 3.29Å; C44-C48 WeakPolarHBondContact O-CB 3.1Å; C44-C48 PolarHBondContact O-N 3.38Å; C44-L151 HydrophobicContact CB-CD2 4.3Å; C44-L154 HydrophobicContact CB-CB 3.93Å; C44-L154 HydrophobicContact CB-CD1 3.89Å; C44-F158 HydrophobicContact CB-CE1 3.94Å
45	A	98.4	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.9	-39.9	175	0	0	0	0	0	111.9	M41 V42 G43 C48 A49 F94 L154 F382 V385	M41-A45 VanDerWaalsContact O-CB 3.25Å; M41-A45 WeakPolarHBondContact O-CB 3.02Å; M41-A45 PolarHBondContact O-N 2.86Å; V42-A45 PolarHBondContact O-N 2.85Å; G43-A45 VanDerWaalsContact C-N 3.31Å; G43-A45 PolarHBondContact O-N 2.82Å; A45-C48 PolarHBondContact O-N 2.83Å; A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 2.95Å; A45-F94 HydrophobicContact CB-CE1 4.23Å; A45-L154 HydrophobicContact CB-CD1 4.11Å; A45-L154 HydrophobicContact CB-CD2 4.23Å; A45-F382 HydrophobicContact CB-CD1 3.84Å; A45-F382 HydrophobicContact CB-CE1 3.86Å; A45-V385 HydrophobicContact CB-CG1 4.39Å; A45-V385 HydrophobicContact CB-CG2 4.17Å
46	M	98.5	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-44.3	174.9	-172.5	67.2	-133.2	0	0	111.9	I36 V42 G43 C48 A49 A50 L56 I201 V385 L388 L392	I36-M46 HydrophobicContact CD1-CB 4.1Å; I36-M46 HydrophobicContact CD1-CG 3.68Å; I36-M46 HydrophobicContact CG1-CG 4.2Å; I36-M46 HydrophobicContact CG2-CB 4.46Å; V42-M46 PolarHBondContact O-N 3.34Å; G43-M46 PolarHBondContact O-N 2.63Å; M46-C48 VanDerWaalsContact C-N 3.29Å; M46-C48 PolarHBondContact O-N 3.23Å; M46-A49 PolarHBondContact O-N 3.18Å; M46-A50 HydrophobicContact CE-CB 4.43Å; M46-A50 WeakPolarHBondContact O-CB 3.34Å; M46-A50 PolarHBondContact O-N 2.97Å; M46-L56 HydrophobicContact CE-CD1 4.39Å; M46-I201 HydrophobicContact CE-CD1 3.84Å; M46-I201 HydrophobicContact CG-CD1 3.77Å; M46-I201 HydrophobicContact CG-CG2 4.18Å; M46-I201 HydrophobicContact SD-CD1 3.95Å; M46-V385 HydrophobicContact CB-CG1 4.19Å; M46-V385 HydrophobicContact CB-CG2 4.14Å; M46-V385 HydrophobicContact SD-CG1 3.9Å; M46-L388 HydrophobicContact SD-CD2 4Å; M46-L388 HydrophobicContact SD-CG 4.4Å; M46-L392 HydrophobicContact CE-CD1 4.15Å
47	A	98.4	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-41.1	175	0	0	0	0	0	111.1	I36 G43 C44 A50 G51 F63 F158 V164	I36-A47 HydrophobicContact CD1-CB 4.04Å; G43-A47 PolarHBondContact O-N 3.47Å; C44-A47 PolarHBondContact O-N 3.07Å; A47-A50 PolarHBondContact O-N 3.48Å; A47-G51 PolarHBondContact O-N 3.49Å; A47-F63 HydrophobicContact CB-CB 4.42Å; A47-F63 HydrophobicContact CB-CD2 3.68Å; A47-F63 HydrophobicContact CB-CE2 4.15Å; A47-F63 HydrophobicContact CB-CG 4.16Å; A47-F158 HydrophobicContact CB-CD1 4.07Å; A47-F158 HydrophobicContact CB-CD2 4.1Å; A47-F158 HydrophobicContact CB-CE1 4.09Å; A47-F158 HydrophobicContact CB-CE2 4.1Å; A47-F158 HydrophobicContact CB-CG 4.1Å; A47-F158 HydrophobicContact CB-CZ 4.12Å; A47-V164 HydrophobicContact CB-CG1 4.45Å
48	C	98	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-46.8	173.9	-167.3	0	0	0	0	112.5	C44 A45 M46 A50 G51 T52 L98 L154 K157 F158	C44-C48 VanDerWaalsContact O-CB 3.29Å; C44-C48 WeakPolarHBondContact O-CB 3.1Å; C44-C48 PolarHBondContact O-N 3.38Å; A45-C48 PolarHBondContact O-N 2.83Å; M46-C48 VanDerWaalsContact C-N 3.29Å; M46-C48 PolarHBondContact O-N 3.23Å; C48-A50 VanDerWaalsContact C-N 3.32Å; C48-A50 PolarHBondContact O-N 2.92Å; C48-G51 PolarHBondContact O-N 2.93Å; C48-T52 WeakPolarHBondContact O-CB 3.42Å; C48-T52 WeakPolarHBondContact O-CG2 3.32Å; C48-T52 PolarHBondContact O-N 2.78Å; C48-T52 PolarHBondContact O-OG1 3.19Å; C48-L98 HydrophobicContact CB-CD1 4.33Å; C48-L98 HydrophobicContact CB-CD2 4.48Å; C48-L154 HydrophobicContact CB-CD2 3.77Å; C48-K157 VanDerWaalsContact SG-CG 3.53Å; C48-F158 HydrophobicContact CB-CB 4.23Å; C48-F158 HydrophobicContact CB-CD1 4.12Å
49	A	97.9	Very high	96.6	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-42.7	177.6	0	0	0	0	0	111.5	A45 M46 G51 T52 S53 L98 V385 S389	A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 2.95Å; M46-A49 PolarHBondContact O-N 3.18Å; A49-G51 VanDerWaalsContact C-N 3.32Å; A49-G51 PolarHBondContact O-N 3.24Å; A49-T52 PolarHBondContact O-N 2.72Å; A49-S53 WeakPolarHBondContact O-CB 3.46Å; A49-S53 PolarHBondContact O-N 3.01Å; A49-L98 HydrophobicContact CB-CD2 3.84Å; A49-V385 HydrophobicContact CB-CG1 4.01Å; A49-S389 VanDerWaalsContact CB-OG 3.26Å; A49-S389 WeakPolarHBondContact CB-OG 3.16Å
50	A	97.8	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-32.4	177.8	0	0	0	0	0	113.1	M46 A47 C48 L56 V61 N163	M46-A50 HydrophobicContact CE-CB 4.43Å; M46-A50 WeakPolarHBondContact O-CB 3.34Å; M46-A50 PolarHBondContact O-N 2.97Å; A47-A50 PolarHBondContact O-N 3.48Å; C48-A50 VanDerWaalsContact C-N 3.32Å; C48-A50 PolarHBondContact O-N 2.92Å; A50-L56 HydrophobicContact CB-CB 4.36Å; A50-L56 HydrophobicContact CB-CD1 4.48Å; A50-L56 CarbonylContact O-C 3.58Å; A50-V61 HydrophobicContact CB-CG2 3.87Å; A50-N163 PolarHBondContact O-ND2 3.35Å
51	G	97	Very high	96.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-81.2	-23.1	177.8	0	0	0	0	0	114.8	A47 C48 A49 K57 S161	A47-G51 PolarHBondContact O-N 3.49Å; C48-G51 PolarHBondContact O-N 2.93Å; A49-G51 VanDerWaalsContact C-N 3.32Å; A49-G51 PolarHBondContact O-N 3.24Å; G51-K57 WeakPolarHBondContact O-CE 3.42Å; G51-K57 WeakPolarHBondContact O-CG 3.49Å; G51-S161 WeakPolarHBondContact CA-OG 3.3Å; G51-S161 PolarHBondContact O-OG 3.23Å
52	T	94.6	Very high	97	Very high	30 Å²	30	25.2 Å²	25.2	18%	0.184	14%	0.143	C	C	.	.	H	α-helix	trans	-105.7	-30.1	-176.2	61	0	0	0	0	114.1	C48 A49 K57 K157	C48-T52 WeakPolarHBondContact O-CB 3.42Å; C48-T52 WeakPolarHBondContact O-CG2 3.32Å; C48-T52 PolarHBondContact O-N 2.78Å; C48-T52 PolarHBondContact O-OG1 3.19Å; A49-T52 PolarHBondContact O-N 2.72Å; T52-K57 VanDerWaalsContact O-CE 3.31Å; T52-K57 WeakPolarHBondContact O-CE 3.21Å; T52-K57 PolarHBondContact O-NZ 3.03Å; T52-K57 VanDerWaalsContact O-NZ 3.1Å; T52-K157 HydrophobicContact CG2-CG 3.92Å
53	S	95.3	Very high	97.1	Very high	17 Å²	17	24.3 Å²	24.3	12%	0.119	14%	0.137	C	C	.	.			trans	-60.8	139.5	179.5	163.8	0	0	0	0	112.6	A49 L55 L56 K57 E393	A49-S53 WeakPolarHBondContact O-CB 3.46Å; A49-S53 PolarHBondContact O-N 3.01Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 3.07Å; S53-L55 PolarHBondContact OG-N 2.91Å; S53-L56 PolarHBondContact OG-N 2.94Å; S53-K57 VanDerWaalsContact O-CB 3.3Å; S53-K57 WeakPolarHBondContact O-CB 2.97Å; S53-K57 VanDerWaalsContact O-CD 3.29Å; S53-K57 WeakPolarHBondContact O-CD 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.36Å; S53-K57 PolarHBondContact O-N 3.46Å; S53-K57 VanDerWaalsContact O-N 3.16Å; S53-E393 WeakPolarHBondContact CB-OE1 3.16Å; S53-E393 PolarHBondContact OG-OE1 2.99Å
54	N	92.6	Very high	97.1	Very high	149 Å²	149	24.4 Å²	24.4	80%	0.797	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.4	178.9	-69.2	-26.4	0	0	0	113
55	L	95.8	Very high	97	Very high	66 Å²	66	24.8 Å²	24.8	35%	0.346	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-43.4	-178.2	-69.8	169.5	0	0	0	111.5	S53 K57 S58 E393 S397	S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 3.07Å; S53-L55 PolarHBondContact OG-N 2.91Å; L55-K57 PolarHBondContact O-N 3.21Å; L55-S58 WeakPolarHBondContact O-CB 3.45Å; L55-S58 PolarHBondContact O-N 3.24Å; L55-S58 VanDerWaalsContact O-N 3.13Å; L55-S58 PolarHBondContact O-OG 3.4Å; L55-E393 HydrophobicContact CB-CB 4.37Å; L55-E393 HydrophobicContact CB-CG 4.04Å; L55-E393 HydrophobicContact CD1-CB 3.81Å; L55-E393 HydrophobicContact CD1-CG 4.21Å; L55-S397 WeakPolarHBondContact CD1-OG 3.25Å
56	L	96.8	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-68.4	-22.6	-180	-62.2	170.1	0	0	0	112.9	M46 A50 S53 S58 Q59 N163 L392 E393 I396	M46-L56 HydrophobicContact CE-CD1 4.39Å; A50-L56 HydrophobicContact CB-CB 4.36Å; A50-L56 HydrophobicContact CB-CD1 4.48Å; A50-L56 CarbonylContact O-C 3.58Å; S53-L56 PolarHBondContact OG-N 2.94Å; L56-S58 PolarHBondContact O-N 3.31Å; L56-S58 VanDerWaalsContact O-N 3.08Å; L56-Q59 WeakPolarHBondContact O-CB 3.32Å; L56-Q59 PolarHBondContact O-N 2.88Å; L56-N163 PolarHBondContact O-ND2 2.84Å; L56-L392 HydrophobicContact CD2-CB 3.76Å; L56-L392 HydrophobicContact CD2-CD1 4.37Å; L56-E393 HydrophobicContact CD1-CG 4.35Å; L56-E393 HydrophobicContact CD2-CG 4.42Å; L56-E393 HydrophobicContact CG-CG 3.96Å; L56-I396 HydrophobicContact CD2-CD1 3.68Å
57	K	95.6	Very high	96.6	Very high	99 Å²	99	30.9 Å²	30.9	43%	0.43	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-56.5	-21.3	170.8	-85.9	171.5	-178.2	167.1	0	114.3	G51 T52 S53 L55 Q59	G51-K57 WeakPolarHBondContact O-CE 3.42Å; G51-K57 WeakPolarHBondContact O-CG 3.49Å; T52-K57 VanDerWaalsContact O-CE 3.31Å; T52-K57 WeakPolarHBondContact O-CE 3.21Å; T52-K57 PolarHBondContact O-NZ 3.03Å; T52-K57 VanDerWaalsContact O-NZ 3.1Å; S53-K57 VanDerWaalsContact O-CB 3.3Å; S53-K57 WeakPolarHBondContact O-CB 2.97Å; S53-K57 VanDerWaalsContact O-CD 3.29Å; S53-K57 WeakPolarHBondContact O-CD 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.36Å; S53-K57 PolarHBondContact O-N 3.46Å; S53-K57 VanDerWaalsContact O-N 3.16Å; L55-K57 PolarHBondContact O-N 3.21Å; K57-Q59 PolarHBondContact O-N 2.83Å
58	S	95.6	Very high	96.3	Very high	77 Å²	77	39.1 Å²	39.1	54%	0.538	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-72.1	-16.1	173.9	68.3	0	0	0	0	113.6	L55 L56	L55-S58 WeakPolarHBondContact O-CB 3.45Å; L55-S58 PolarHBondContact O-N 3.24Å; L55-S58 VanDerWaalsContact O-N 3.13Å; L55-S58 PolarHBondContact O-OG 3.4Å; L56-S58 PolarHBondContact O-N 3.31Å; L56-S58 VanDerWaalsContact O-N 3.08Å
59	Q	97.5	Very high	95.7	Very high	23 Å²	23	42.7 Å²	42.7	11%	0.107	25%	0.251	C	S	.	.	S	Bend	trans	-97.1	136.7	-177.7	-54.7	-56.9	-64	0	0	110.3	D33 I34 L56 K57 N163 I396	D33-Q59 HydrophobicContact CB-CB 3.97Å; I34-Q59 HydrophobicContact CD1-CB 4.15Å; I34-Q59 HydrophobicContact CD1-CG 4.39Å; L56-Q59 WeakPolarHBondContact O-CB 3.32Å; L56-Q59 PolarHBondContact O-N 2.88Å; K57-Q59 PolarHBondContact O-N 2.83Å; Q59-N163 WeakPolarHBondContact O-CB 3.37Å; Q59-N163 PolarHBondContact O-ND2 3.31Å; Q59-I396 HydrophobicContact CG-CD1 3.64Å; Q59-I396 HydrophobicContact CG-CG1 4.46Å
60	S	98	Very high	94.9	Very high	42 Å²	42	47.6 Å²	47.6	29%	0.294	28%	0.28	S	S	.	.			trans	-75.3	125.5	169.7	58.5	0	0	0	0	110.4	Y32 D33 I34	Y32-S60 WeakPolarHBondContact CA-OG 3.41Å; D33-S60 PolarHBondContact N-O 3.21Å; D33-S60 PolarHBondContact N-OG 2.9Å; D33-S60 PolarHBondContact OD2-N 3.35Å; D33-S60 PolarHBondContact OD2-OG 3.38Å; I34-S60 PolarHBondContact N-O 2.67Å
61	V	98.5	Very high	94.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.7	-174	-175.7	0	0	0	0	110.1	I34 I36 A50 N163 V164 T165	I34-V61 HydrophobicContact CB-CG2 4.29Å; I34-V61 CarbonylContact O-C 3.5Å; I34-V61 VanDerWaalsContact O-CA 3.31Å; I34-V61 WeakPolarHBondContact O-CA 3.08Å; I36-V61 HydrophobicContact CD1-CG1 3.69Å; I36-V61 HydrophobicContact CG1-CG1 4.12Å; A50-V61 HydrophobicContact CB-CG2 3.87Å; V61-N163 PolarHBondContact N-O 2.95Å; V61-V164 HydrophobicContact CB-CG2 4.22Å; V61-V164 HydrophobicContact CG1-CG1 4.45Å; V61-T165 PolarHBondContact O-N 2.87Å
62	L	98.2	Very high	93.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	164.8	-177.6	66.9	0	0	0	109.5	Y32 I34 A35 I36 I64 T165 Q167 I195	Y32-L62 HydrophobicContact CD1-CB 3.81Å; Y32-L62 HydrophobicContact CD2-CB 3.76Å; Y32-L62 HydrophobicContact CD2-CD2 4.1Å; Y32-L62 HydrophobicContact CD2-CG 4.42Å; Y32-L62 HydrophobicContact CE1-CB 3.97Å; Y32-L62 HydrophobicContact CE1-CD1 4.45Å; Y32-L62 HydrophobicContact CE2-CB 3.93Å; Y32-L62 HydrophobicContact CE2-CD1 4.13Å; Y32-L62 HydrophobicContact CE2-CD2 3.96Å; Y32-L62 HydrophobicContact CE2-CG 4.23Å; Y32-L62 HydrophobicContact CG-CB 3.69Å; I34-L62 PolarHBondContact O-N 2.95Å; A35-L62 CarbonylContact C-O 3.51Å; A35-L62 WeakPolarHBondContact CA-O 3.49Å; I36-L62 PolarHBondContact N-O 2.97Å; L62-I64 HydrophobicContact CD2-CD1 3.8Å; L62-I64 HydrophobicContact CD2-CG1 3.84Å; L62-I64 HydrophobicContact CG-CD1 4.34Å; L62-I64 HydrophobicContact CG-CG1 3.89Å; L62-T165 HydrophobicContact CD1-CG2 4Å; L62-Q167 HydrophobicContact CD1-CB 4.18Å; L62-I195 HydrophobicContact CD2-CB 4.31Å; L62-I195 HydrophobicContact CD2-CD1 4.13Å; L62-I195 HydrophobicContact CD2-CG1 3.9Å; L62-I195 HydrophobicContact CD2-CG2 3.63Å
63	F	98.2	Very high	93	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.4	173	176.2	-101.2	0	0	0	109.9	I36 A47 D65 F158 V164 T165 L166 Q167	I36-F63 HydrophobicContact CB-CD2 4.11Å; I36-F63 HydrophobicContact CG2-CD2 3.94Å; I36-F63 HydrophobicContact CG2-CE2 4.3Å; A47-F63 HydrophobicContact CB-CB 4.42Å; A47-F63 HydrophobicContact CB-CD2 3.68Å; A47-F63 HydrophobicContact CB-CE2 4.15Å; A47-F63 HydrophobicContact CB-CG 4.16Å; F63-D65 HydrophobicContact CE1-CB 3.98Å; F63-D65 HydrophobicContact CZ-CB 4.48Å; F63-F158 HydrophobicContact CD1-CE2 4.19Å; F63-F158 HydrophobicContact CD1-CZ 4.19Å; F63-F158 HydrophobicContact CE1-CE2 4.43Å; F63-F158 AromaticContact CE1-CZ 3.98Å; F63-F158 HydrophobicContact CE1-CZ 3.98Å; F63-F158 HydrophobicContact CG-CE2 4.48Å; F63-F158 HydrophobicContact CZ-CZ 4.21Å; F63-V164 HydrophobicContact CB-CG1 4.17Å; F63-T165 PolarHBondContact N-O 2.94Å; F63-L166 HydrophobicContact CD1-CG 4.31Å; F63-Q167 PolarHBondContact O-N 3.36Å
64	I	97.8	Very high	92.6	Very high	2 Å²	2	70 Å²	70	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.5	-177	-59.1	172.7	0	0	0	109.3	I36 V37 G38 L62 V170 V172 L187 L189	I36-I64 PolarHBondContact O-N 2.77Å; V37-I64 HydrophobicContact CG2-CB 4.42Å; V37-I64 HydrophobicContact CG2-CD1 4.1Å; G38-I64 PolarHBondContact N-O 2.96Å; L62-I64 HydrophobicContact CD2-CD1 3.8Å; L62-I64 HydrophobicContact CD2-CG1 3.84Å; L62-I64 HydrophobicContact CG-CD1 4.34Å; L62-I64 HydrophobicContact CG-CG1 3.89Å; I64-V170 HydrophobicContact CG2-CG2 4Å; I64-V172 HydrophobicContact CD1-CG2 4.14Å; I64-V172 HydrophobicContact CG2-CG2 4.39Å; I64-L187 HydrophobicContact CD1-CD1 3.95Å; I64-L189 HydrophobicContact CD1-CD2 3.94Å
65	D	96.1	Very high	92.6	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.037	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.5	174.6	-175.2	10.4	0	0	0	111.9	G39 F63 A67 R155 Q167 N168 G169 V170	G39-D65 WeakPolarHBondContact CA-OD1 3.46Å; F63-D65 HydrophobicContact CE1-CB 3.98Å; F63-D65 HydrophobicContact CZ-CB 4.48Å; D65-A67 PolarHBondContact O-N 3.15Å; D65-A67 PolarHBondContact OD1-N 3.09Å; D65-R155 IonicContact OD2-CZ 2.96Å; D65-R155 IonicContact OD2-NH1 3.85Å; D65-R155 PolarHBondContact OD2-NH1 3.01Å; D65-R155 IonicContact OD2-NH2 2.96Å; D65-R155 PolarHBondContact OD2-NH2 3.41Å; D65-Q167 PolarHBondContact N-O 2.9Å; D65-N168 CarbonylContact O-C 3.54Å; D65-N168 VanDerWaalsContact O-CA 3.31Å; D65-N168 WeakPolarHBondContact O-CA 3.39Å; D65-G169 PolarHBondContact O-N 3.08Å; D65-V170 CarbonylContact C-O 3.56Å; D65-V170 PolarHBondContact O-N 3.14Å
66	S	95.5	Very high	92.3	Very high	79 Å²	79	64.9 Å²	64.9	55%	0.552	37%	0.367	S	S	*	.	S	Bend	trans	-65	-25.3	173	62.6	0	0	0	0	113.8	G169 V170	S66-G169 WeakPolarHBondContact O-CA 3.39Å; S66-V170 VanDerWaalsContact CA-O 3.23Å; S66-V170 WeakPolarHBondContact CA-O 3.18Å; S66-V170 PolarHBondContact N-O 2.88Å
67	A	93.5	Very high	92	Very high	49 Å²	49	65.6 Å²	65.6	41%	0.405	37%	0.371	S	S	.	.	S	Bend	trans	-72	138	177.5	0	0	0	0	0	110.3	D65 N168 G169	D65-A67 PolarHBondContact O-N 3.15Å; D65-A67 PolarHBondContact OD1-N 3.09Å; A67-N168 WeakPolarHBondContact O-CB 3.38Å; A67-G169 PolarHBondContact O-N 3.37Å
68	K	91.8	Very high	91.8	Very high	174 Å²	174	67.3 Å²	67.3	76%	0.757	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-62.5	146.1	174.4	-67.6	-176	179.5	-178.8	0	110.2	T70	K68-T70 PolarHBondContact O-N 3.49Å; K68-T70 VanDerWaalsContact O-N 3.12Å
69	A	86.4	Confident	91.6	Very high	75 Å²	75	67.1 Å²	67.1	62%	0.62	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-58.9	119.7	172	0	0	0	0	0	109.4	N168	A69-N168 HydrophobicContact CB-CB 3.89Å
70	T	81.3	Confident	91.3	Very high	109 Å²	109	68.2 Å²	68.2	67%	0.669	39%	0.391	S	S	*	.			trans	-111.3	143.8	170	53.3	0	0	0	0	109	K68	K68-T70 PolarHBondContact O-N 3.49Å; K68-T70 VanDerWaalsContact O-N 3.12Å
71	P	83	Confident	91	Very high	115 Å²	115	67.4 Å²	67.4	75%	0.747	39%	0.386	S	S	*	.			trans	-51.3	146.1	170.4	-23.8	33	0	0	0	111	K73	P71-K73 PolarHBondContact O-N 3.27Å
72	L	80	Confident	90.6	Very high	102 Å²	102	68.5 Å²	68.5	53%	0.534	39%	0.392	S	S	.	.			trans	-59.5	115.5	172.4	-72.6	172.4	0	0	0	108.4	K156	L72-K156 HydrophobicContact CD1-CB 4.37Å
73	K	85	Confident	90.3	Very high	115 Å²	115	72.7 Å²	72.7	50%	0.5	41%	0.41	S	S	.	.			trans	-66.5	151.5	176.3	-60.3	178.6	-173.4	173.8	0	110	P71 M75 E148 H152	P71-K73 PolarHBondContact O-N 3.27Å; K73-M75 HydrophobicContact CB-CE 3.87Å; K73-E148 IonicContact NZ-OE1 2.95Å; K73-E148 PolarHBondContact NZ-OE1 2.91Å; K73-E148 IonicContact NZ-OE2 3.94Å; K73-H152 PolarHBondContact O-CE1 3.07Å; K73-H152 PolarHBondContact O-ND1 2.85Å
74	E	87.4	Confident	90	Very high	185 Å²	185	73.8 Å²	73.8	86%	0.864	42%	0.417	S	S	*	.			trans	-59.3	143	166.9	-73.1	-176.5	169.1	0	0	110.9
75	M	91.7	Very high	89.8	Confident	52 Å²	52	74.6 Å²	74.6	26%	0.256	42%	0.422	S	S	.	.	S	Bend	trans	-120.6	141.9	-179.4	-69.4	-68	128.6	0	0	110.5	K73 P77 A107 V149 H152	K73-M75 HydrophobicContact CB-CE 3.87Å; M75-P77 HydrophobicContact CE-CG 4.4Å; M75-P77 HydrophobicContact SD-CG 4.44Å; M75-A107 HydrophobicContact CB-CB 4.14Å; M75-V149 HydrophobicContact SD-CG2 4.29Å; M75-H152 HydrophobicContact CE-CB 3.96Å; M75-H152 HydrophobicContact CG-CB 4.18Å; M75-H152 HydrophobicContact SD-CB 3.93Å
76	P	91.5	Very high	89.7	Confident	57 Å²	57	75 Å²	75	37%	0.37	43%	0.426	S	S	.	.	S	Bend	cis	-79.8	160.1	-5.4	36.3	-38	0	0	0	112.4	A107 R108	P76-A107 VanDerWaalsContact CB-O 3.3Å; P76-A107 WeakPolarHBondContact CB-O 3.21Å; P76-A107 VanDerWaalsContact CG-O 3.3Å; P76-A107 WeakPolarHBondContact CG-O 3.27Å; P76-R108 HydrophobicContact CB-CB 4.02Å; P76-R108 HydrophobicContact CB-CG 4.31Å
77	P	89	Confident	89.6	Confident	14 Å²	14	71.2 Å²	71.2	9%	0.091	40%	0.4	C	S	.	.			trans	-52	147.2	173.5	-26.4	31.3	0	0	0	113	M75 T79 R108	M75-P77 HydrophobicContact CE-CG 4.4Å; M75-P77 HydrophobicContact SD-CG 4.44Å; P77-T79 PolarHBondContact O-N 3.2Å; P77-T79 VanDerWaalsContact O-N 3.17Å; P77-R108 VanDerWaalsContact O-CZ 3.27Å; P77-R108 PolarHBondContact O-NH1 3.46Å; P77-R108 PolarHBondContact O-NH2 3.2Å
78	P	91	Very high	89.5	Confident	135 Å²	135	69.3 Å²	69.3	88%	0.877	38%	0.384	S	S	*	.	S	Bend	trans	-64.8	-25.2	-176.1	25.3	-34.7	0	0	0	113.5
79	T	91.4	Very high	89.4	Confident	73 Å²	73	61.6 Å²	61.6	45%	0.448	35%	0.351	S	S	.	.	S	Bend	trans	-128.8	152.3	176	64.6	0	0	0	0	110.2	P77 K341	P77-T79 PolarHBondContact O-N 3.2Å; P77-T79 VanDerWaalsContact O-N 3.17Å; T79-K341 PolarHBondContact OG1-NZ 3.07Å; T79-K341 VanDerWaalsContact OG1-NZ 3.12Å
80	Y	92.4	Very high	89.5	Confident	46 Å²	46	59.3 Å²	59.3	18%	0.18	33%	0.327	C	S	.	.			trans	-59.9	139.7	175.4	-74.5	-78.2	0	0	0	112.6	E146 N231 L259 M263	Y80-E146 WeakPolarHBondContact CA-OE1 3.26Å; Y80-N231 WeakPolarHBondContact CB-ND2 3.31Å; Y80-N231 PolarHBondContact O-ND2 3.47Å; Y80-L259 HydrophobicContact CD1-CB 4.3Å; Y80-L259 HydrophobicContact CD1-CD1 3.9Å; Y80-L259 HydrophobicContact CD1-CD2 4.35Å; Y80-L259 HydrophobicContact CD1-CG 4.42Å; Y80-L259 HydrophobicContact CE1-CB 3.79Å; Y80-L259 HydrophobicContact CE1-CD1 4.25Å; Y80-L259 HydrophobicContact CE1-CD2 4.35Å; Y80-L259 HydrophobicContact CE1-CG 4.36Å; Y80-L259 HydrophobicContact CG-CD1 4.05Å; Y80-L259 PolarHBondContact OH-O 2.88Å; Y80-M263 HydrophobicContact CD2-CE 4.33Å; Y80-M263 HydrophobicContact CD2-CG 4.5Å; Y80-M263 HydrophobicContact CE2-CB 4.28Å; Y80-M263 HydrophobicContact CE2-CG 4.06Å
81	S	91	Very high	90.1	Very high	26 Å²	26	54.3 Å²	54.3	18%	0.182	30%	0.296	C	S	.	.			trans	-76.1	146.6	166.1	178.8	0	0	0	0	110.7	F83 E146 N231	S81-F83 PolarHBondContact O-N 3.34Å; S81-F83 PolarHBondContact OG-N 2.87Å; S81-F83 VanDerWaalsContact OG-N 3.17Å; S81-E146 PolarHBondContact N-OE1 3.35Å; S81-N231 PolarHBondContact O-ND2 2.92Å; S81-N231 PolarHBondContact O-OD1 2.99Å
82	N	89.9	Confident	90.6	Very high	23 Å²	23	49 Å²	49	12%	0.123	26%	0.262	C	S	.	.	S	Bend	trans	-69.3	-15.8	172.1	-63.2	-10.4	0	0	0	112.9	V229 N231 K341	N82-V229 HydrophobicContact CB-CG2 4.08Å; N82-N231 PolarHBondContact OD1-ND2 3.06Å; N82-K341 PolarHBondContact ND2-O 2.94Å; N82-K341 WeakPolarHBondContact OD1-CB 3.41Å; N82-K341 PolarHBondContact OD1-O 2.89Å
83	F	91.5	Very high	91.2	Very high	89 Å²	89	48.9 Å²	48.9	39%	0.39	26%	0.258	S	S	.	.			trans	-109.3	98.7	-174.6	-63.1	-90.1	0	0	0	109.4	S81 N147 V229 A343 I345	S81-F83 PolarHBondContact O-N 3.34Å; S81-F83 PolarHBondContact OG-N 2.87Å; S81-F83 VanDerWaalsContact OG-N 3.17Å; F83-N147 PolarHBondContact O-N 3.15Å; F83-N147 PolarHBondContact O-OD1 3.03Å; F83-V229 HydrophobicContact CE1-CG2 4.45Å; F83-A343 HydrophobicContact CZ-CB 4.49Å; F83-I345 HydrophobicContact CD1-CD1 4.04Å; F83-I345 HydrophobicContact CE1-CD1 3.4Å; F83-I345 VanDerWaalsContact CE1-CD1 3.4Å; F83-I345 HydrophobicContact CE1-CG1 3.96Å; F83-I345 HydrophobicContact CZ-CD1 4.35Å
84	V	93.2	Very high	91.7	Very high	23 Å²	23	43.8 Å²	43.8	14%	0.139	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	157.7	172	-55.4	0	0	0	0	110.1	I144 I145 E146 L257 L259 S265	V84-I144 HydrophobicContact CB-CG2 3.87Å; V84-I144 HydrophobicContact CG1-CG2 4.48Å; V84-I144 HydrophobicContact CG2-CG2 3.65Å; V84-I145 CarbonylContact C-O 3.56Å; V84-I145 VanDerWaalsContact CA-O 3.31Å; V84-I145 WeakPolarHBondContact CA-O 3.29Å; V84-E146 HydrophobicContact CG1-CG 4.09Å; V84-L257 HydrophobicContact CG2-CD1 4.45Å; V84-L259 HydrophobicContact CG1-CD2 3.87Å; V84-L259 HydrophobicContact CG2-CD2 4.46Å; V84-S265 WeakPolarHBondContact CG2-OG 3.44Å
85	C	93.1	Very high	92.2	Very high	18 Å²	18	35 Å²	35	12%	0.122	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.8	172.8	-70.3	0	0	0	0	110.2	I87 I144 I145 N147 V378	C85-I87 HydrophobicContact CB-CD1 3.61Å; C85-I87 HydrophobicContact CB-CG1 4.26Å; C85-I87 PolarHBondContact O-N 2.9Å; C85-I144 WeakPolarHBondContact O-CA 3.33Å; C85-I145 PolarHBondContact N-O 3.42Å; C85-I145 PolarHBondContact O-N 3.18Å; C85-N147 PolarHBondContact SG-OD1 3.46Å; C85-V378 HydrophobicContact CB-CG1 3.75Å
86	A	93.1	Very high	92.4	Very high	15 Å²	15	37.3 Å²	37.3	12%	0.124	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	99.4	164.4	0	0	0	0	0	108.6	A142 I144 N379	A86-A142 HydrophobicContact CB-CB 4.42Å; A86-I144 HydrophobicContact CB-CD1 3.79Å; A86-N379 PolarHBondContact O-ND2 3.2Å
87	I	93.9	Very high	92.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.1	-178.8	-57.7	-53	0	0	0	109.7	C85 V92 F95 A142 Y143 I145 I150 V378 F382	C85-I87 HydrophobicContact CB-CD1 3.61Å; C85-I87 HydrophobicContact CB-CG1 4.26Å; C85-I87 PolarHBondContact O-N 2.9Å; I87-V92 HydrophobicContact CG2-CG2 3.9Å; I87-F95 HydrophobicContact CG1-CE2 4.42Å; I87-F95 HydrophobicContact CG2-CD2 4.44Å; I87-F95 HydrophobicContact CG2-CE2 3.89Å; I87-F95 HydrophobicContact CG2-CZ 4.4Å; I87-A142 CarbonylContact O-C 3.6Å; I87-A142 WeakPolarHBondContact O-CA 3.26Å; I87-Y143 PolarHBondContact N-O 2.86Å; I87-Y143 PolarHBondContact O-N 3.3Å; I87-I145 HydrophobicContact CB-CD1 4.01Å; I87-I145 HydrophobicContact CG1-CB 4.25Å; I87-I145 HydrophobicContact CG1-CD1 3.83Å; I87-I145 HydrophobicContact CG1-CG1 4.28Å; I87-I145 HydrophobicContact CG2-CD1 4.48Å; I87-I150 HydrophobicContact CD1-CD1 3.81Å; I87-I150 HydrophobicContact CG1-CD1 3.93Å; I87-V378 HydrophobicContact CD1-CG1 3.62Å; I87-F382 HydrophobicContact CD1-CE2 4.05Å
88	S	91.3	Very high	92.9	Very high	9 Å²	9	38 Å²	38	6%	0.063	21%	0.21	C	C	.	.			trans	-71.9	154.8	178.6	65.8	0	0	0	0	112	R90 S91 V92 N379 A465	S88-R90 PolarHBondContact O-N 3.23Å; S88-S91 PolarHBondContact O-N 3.34Å; S88-S91 PolarHBondContact OG-N 2.71Å; S88-S91 VanDerWaalsContact OG-N 3.16Å; S88-S91 PolarHBondContact OG-OG 3.08Å; S88-V92 PolarHBondContact O-N 3.13Å; S88-N379 PolarHBondContact N-OD1 3.4Å; S88-N379 PolarHBondContact OG-OD1 2.79Å; S88-N379 VanDerWaalsContact OG-OD1 3.1Å; S88-A465 VanDerWaalsContact CB-O 3.28Å; S88-A465 WeakPolarHBondContact CB-O 3.45Å
89	P	90.3	Very high	93.2	Very high	12 Å²	12	33.4 Å²	33.4	8%	0.078	19%	0.187	C	C	.	.	H	α-helix	trans	-51.8	-39.2	170.3	-30.1	36.9	0	0	0	113.5	S91 V92 E93 M139 P140 I141	P89-S91 PolarHBondContact O-N 2.65Å; P89-V92 WeakPolarHBondContact O-CA 3.48Å; P89-V92 WeakPolarHBondContact O-CB 3.35Å; P89-V92 PolarHBondContact O-N 2.53Å; P89-V92 VanDerWaalsContact O-N 3.13Å; P89-E93 PolarHBondContact O-N 3.16Å; P89-M139 HydrophobicContact CB-CG 3.98Å; P89-M139 HydrophobicContact CB-SD 3.95Å; P89-M139 HydrophobicContact CG-CG 3.92Å; P89-M139 HydrophobicContact CG-SD 4.24Å; P89-P140 WeakPolarHBondContact CG-O 3.24Å; P89-I141 WeakPolarHBondContact CD-O 3.47Å
90	R	88.1	Confident	93.5	Very high	28 Å²	28	30 Å²	30	11%	0.106	17%	0.166	C	C	.	.	H	α-helix	trans	-56.9	-44.6	172.8	171.6	178.7	169.6	78.9	-25.8	112.8	S88 V92 E93 F94 E418 S466 P468 F470	S88-R90 PolarHBondContact O-N 3.23Å; R90-V92 VanDerWaalsContact C-N 3.33Å; R90-E93 PolarHBondContact O-N 3.38Å; R90-F94 PolarHBondContact O-N 3.26Å; R90-F94 VanDerWaalsContact O-N 3.13Å; R90-E418 IonicContact NH2-OE1 3.41Å; R90-E418 PolarHBondContact NH2-OE1 2.79Å; R90-E418 IonicContact NH2-OE2 3.85Å; R90-E418 PolarHBondContact NH2-OE2 2.85Å; R90-S466 WeakPolarHBondContact CB-O 3.46Å; R90-S466 PolarHBondContact N-O 2.92Å; R90-P468 HydrophobicContact CG-CB 4.26Å; R90-P468 VanDerWaalsContact NH1-CA 3.27Å; R90-F470 VanDerWaalsContact CZ-CE2 3.41Å
91	S	93.8	Very high	93.7	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.028	16%	0.162	C	C	.	.	H	α-helix	trans	-71.3	-30.3	177.1	-67.1	0	0	0	0	112.2	S88 P89 F94 F95 N379	S88-S91 PolarHBondContact O-N 3.34Å; S88-S91 PolarHBondContact OG-N 2.71Å; S88-S91 VanDerWaalsContact OG-N 3.16Å; S88-S91 PolarHBondContact OG-OG 3.08Å; P89-S91 PolarHBondContact O-N 2.65Å; S91-F94 WeakPolarHBondContact O-CB 3.19Å; S91-F94 PolarHBondContact O-N 3.42Å; S91-F95 WeakPolarHBondContact O-CD1 3.47Å; S91-F95 VanDerWaalsContact O-CG 3.3Å; S91-F95 WeakPolarHBondContact O-CG 3.26Å; S91-F95 PolarHBondContact O-N 3.14Å; S91-N379 WeakPolarHBondContact CB-OD1 3.42Å; S91-N379 PolarHBondContact OG-OD1 3.06Å
92	V	94.3	Very high	94	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-43.2	169.5	170.4	0	0	0	0	111.6	I87 S88 P89 R90 F94 F95 K96 W101 Y143	I87-V92 HydrophobicContact CG2-CG2 3.9Å; S88-V92 PolarHBondContact O-N 3.13Å; P89-V92 WeakPolarHBondContact O-CA 3.48Å; P89-V92 WeakPolarHBondContact O-CB 3.35Å; P89-V92 PolarHBondContact O-N 2.53Å; P89-V92 VanDerWaalsContact O-N 3.13Å; R90-V92 VanDerWaalsContact C-N 3.33Å; V92-F94 VanDerWaalsContact C-N 3.27Å; V92-F94 PolarHBondContact O-N 3.42Å; V92-F95 CarbonylContact O-C 3.58Å; V92-F95 WeakPolarHBondContact O-CA 3.33Å; V92-F95 WeakPolarHBondContact O-CB 3.46Å; V92-F95 PolarHBondContact O-N 3.48Å; V92-F95 VanDerWaalsContact O-N 3.08Å; V92-K96 WeakPolarHBondContact O-CG 3.19Å; V92-K96 PolarHBondContact O-N 3.3Å; V92-W101 HydrophobicContact CB-CE3 4.38Å; V92-W101 HydrophobicContact CB-CH2 4.43Å; V92-W101 HydrophobicContact CB-CZ3 4.31Å; V92-W101 HydrophobicContact CG1-CD2 3.58Å; V92-W101 HydrophobicContact CG1-CE3 3.83Å; V92-W101 HydrophobicContact CG1-CG 4.14Å; V92-W101 HydrophobicContact CG1-CH2 3.97Å; V92-W101 HydrophobicContact CG1-CZ2 3.73Å; V92-W101 HydrophobicContact CG1-CZ3 4.02Å; V92-W101 HydrophobicContact CG2-CE3 4.07Å; V92-W101 HydrophobicContact CG2-CH2 3.59Å; V92-W101 HydrophobicContact CG2-CZ2 4.18Å; V92-W101 HydrophobicContact CG2-CZ3 3.53Å; V92-Y143 HydrophobicContact CB-CE2 4.46Å; V92-Y143 HydrophobicContact CG2-CD2 3.47Å; V92-Y143 VanDerWaalsContact CG2-CD2 3.47Å; V92-Y143 HydrophobicContact CG2-CE2 3.72Å; V92-Y143 HydrophobicContact CG2-CG 4.21Å
93	E	93.2	Very high	94.3	Very high	100 Å²	100	35.4 Å²	35.4	47%	0.467	19%	0.19	S	C	.	.	H	α-helix	trans	-60.7	-38.5	173.7	-70.2	-51.3	128.4	0	0	112	P89 R90 K96 S97	P89-E93 PolarHBondContact O-N 3.16Å; R90-E93 PolarHBondContact O-N 3.38Å; E93-K96 WeakPolarHBondContact O-CB 3.29Å; E93-K96 PolarHBondContact O-N 2.79Å; E93-K96 WeakPolarHBondContact OE1-CE 3.36Å; E93-K96 IonicContact OE1-NZ 3.18Å; E93-K96 PolarHBondContact OE1-NZ 2.75Å; E93-K96 IonicContact OE2-NZ 2.63Å; E93-S97 PolarHBondContact O-N 2.94Å
94	F	95	Very high	94.6	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-42.7	172.1	178.6	-121.6	0	0	0	112	A45 R90 S91 V92 K96 S97 L98 F382 V385 Q386	A45-F94 HydrophobicContact CB-CE1 4.23Å; R90-F94 PolarHBondContact O-N 3.26Å; R90-F94 VanDerWaalsContact O-N 3.13Å; S91-F94 WeakPolarHBondContact O-CB 3.19Å; S91-F94 PolarHBondContact O-N 3.42Å; V92-F94 VanDerWaalsContact C-N 3.27Å; V92-F94 PolarHBondContact O-N 3.42Å; F94-K96 VanDerWaalsContact C-N 3.28Å; F94-K96 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-N 3.18Å; F94-S97 VanDerWaalsContact O-N 3.09Å; F94-S97 PolarHBondContact O-OG 2.91Å; F94-L98 HydrophobicContact CD1-CD1 4.2Å; F94-L98 HydrophobicContact CD2-CG 4.37Å; F94-L98 HydrophobicContact CE1-CD1 3.62Å; F94-L98 HydrophobicContact CE1-CG 4.29Å; F94-L98 HydrophobicContact CE2-CD1 4.16Å; F94-L98 HydrophobicContact CE2-CD2 3.99Å; F94-L98 HydrophobicContact CE2-CG 3.94Å; F94-L98 HydrophobicContact CZ-CD1 3.59Å; F94-L98 HydrophobicContact CZ-CD2 4.01Å; F94-L98 HydrophobicContact CZ-CG 3.89Å; F94-L98 WeakPolarHBondContact O-CG 3.07Å; F94-L98 PolarHBondContact O-N 3.49Å; F94-F382 HydrophobicContact CD1-CB 3.94Å; F94-F382 HydrophobicContact CD1-CD1 4.49Å; F94-F382 HydrophobicContact CD1-CG 4.38Å; F94-F382 HydrophobicContact CE1-CB 4.2Å; F94-F382 HydrophobicContact CE1-CD1 4.23Å; F94-V385 HydrophobicContact CE1-CB 4.34Å; F94-V385 HydrophobicContact CE1-CG1 4.28Å; F94-V385 HydrophobicContact CE2-CG1 4.49Å; F94-V385 HydrophobicContact CZ-CB 4.02Å; F94-V385 HydrophobicContact CZ-CG1 3.59Å; F94-Q386 HydrophobicContact CD2-CB 4.02Å; F94-Q386 HydrophobicContact CD2-CG 4.17Å; F94-Q386 HydrophobicContact CE2-CB 4.1Å
95	F	97.5	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-34.6	174.3	-69.9	-3.2	0	0	0	112.8	I87 S91 V92 L98 G99 I100 W101 I150 F382	I87-F95 HydrophobicContact CG1-CE2 4.42Å; I87-F95 HydrophobicContact CG2-CD2 4.44Å; I87-F95 HydrophobicContact CG2-CE2 3.89Å; I87-F95 HydrophobicContact CG2-CZ 4.4Å; S91-F95 WeakPolarHBondContact O-CD1 3.47Å; S91-F95 VanDerWaalsContact O-CG 3.3Å; S91-F95 WeakPolarHBondContact O-CG 3.26Å; S91-F95 PolarHBondContact O-N 3.14Å; V92-F95 CarbonylContact O-C 3.58Å; V92-F95 WeakPolarHBondContact O-CA 3.33Å; V92-F95 WeakPolarHBondContact O-CB 3.46Å; V92-F95 PolarHBondContact O-N 3.48Å; V92-F95 VanDerWaalsContact O-N 3.08Å; F95-L98 PolarHBondContact O-N 3.2Å; F95-G99 PolarHBondContact O-N 3.02Å; F95-G99 VanDerWaalsContact O-N 3.14Å; F95-I100 HydrophobicContact CB-CD1 4.1Å; F95-I100 HydrophobicContact CB-CG1 3.81Å; F95-I100 HydrophobicContact CD1-CD1 3.82Å; F95-I100 HydrophobicContact CD1-CG1 4.37Å; F95-I100 HydrophobicContact CD2-CD1 4.36Å; F95-I100 HydrophobicContact CE1-CD1 4.31Å; F95-I100 HydrophobicContact CG-CD1 3.84Å; F95-I100 HydrophobicContact CG-CG1 4.13Å; F95-I100 WeakPolarHBondContact O-CG1 3.38Å; F95-I100 PolarHBondContact O-N 2.88Å; F95-W101 HydrophobicContact CB-CB 4.14Å; F95-W101 HydrophobicContact CB-CE3 4.29Å; F95-W101 HydrophobicContact CD2-CE3 4.02Å; F95-W101 HydrophobicContact CD2-CZ3 4.32Å; F95-W101 PolarHBondContact O-N 2.88Å; F95-I150 HydrophobicContact CE1-CG2 4.47Å; F95-I150 HydrophobicContact CE2-CD1 4.32Å; F95-I150 HydrophobicContact CE2-CG1 4.35Å; F95-I150 HydrophobicContact CE2-CG2 4.33Å; F95-I150 HydrophobicContact CZ-CD1 4.28Å; F95-I150 HydrophobicContact CZ-CG1 4.48Å; F95-I150 HydrophobicContact CZ-CG2 3.81Å; F95-F382 HydrophobicContact CE1-CD1 4.16Å; F95-F382 AromaticContact CE1-CD2 3.91Å; F95-F382 HydrophobicContact CE1-CD2 3.91Å; F95-F382 AromaticContact CE1-CE1 3.95Å; F95-F382 HydrophobicContact CE1-CE1 3.95Å; F95-F382 AromaticContact CE1-CE2 3.68Å; F95-F382 HydrophobicContact CE1-CE2 3.68Å; F95-F382 HydrophobicContact CE1-CG 4.16Å; F95-F382 AromaticContact CE1-CZ 3.71Å; F95-F382 HydrophobicContact CE1-CZ 3.71Å; F95-F382 AromaticContact CZ-CD2 3.99Å; F95-F382 HydrophobicContact CZ-CD2 3.99Å; F95-F382 HydrophobicContact CZ-CE1 4.31Å; F95-F382 AromaticContact CZ-CE2 3.41Å; F95-F382 HydrophobicContact CZ-CE2 3.41Å; F95-F382 VanDerWaalsContact CZ-CE2 3.41Å; F95-F382 AromaticContact CZ-CZ 3.6Å; F95-F382 HydrophobicContact CZ-CZ 3.6Å
96	K	96.5	Very high	95	Very high	100 Å²	100	38 Å²	38	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-65.1	-44.9	170.9	-69.4	174.1	-176.7	172	0	110.9	V92 E93 F94 L98 G99 W101	V92-K96 WeakPolarHBondContact O-CG 3.19Å; V92-K96 PolarHBondContact O-N 3.3Å; E93-K96 WeakPolarHBondContact O-CB 3.29Å; E93-K96 PolarHBondContact O-N 2.79Å; E93-K96 WeakPolarHBondContact OE1-CE 3.36Å; E93-K96 IonicContact OE1-NZ 3.18Å; E93-K96 PolarHBondContact OE1-NZ 2.75Å; E93-K96 IonicContact OE2-NZ 2.63Å; F94-K96 VanDerWaalsContact C-N 3.28Å; F94-K96 PolarHBondContact O-N 3.33Å; K96-L98 VanDerWaalsContact C-N 3.27Å; K96-L98 PolarHBondContact O-N 2.98Å; K96-G99 WeakPolarHBondContact O-CA 3.44Å; K96-G99 PolarHBondContact O-N 3.35Å; K96-W101 HydrophobicContact CB-CB 4.44Å; K96-W101 HydrophobicContact CG-CB 3.66Å; K96-W101 HydrophobicContact CG-CG 3.85Å
97	S	95.2	Very high	95.1	Very high	80 Å²	80	38.1 Å²	38.1	56%	0.559	21%	0.205	S	C	*	.	H	α-helix	trans	-63.6	-31.6	176.9	73.6	0	0	0	0	113.5	E93 F94 G99	E93-S97 PolarHBondContact O-N 2.94Å; F94-S97 PolarHBondContact O-N 3.18Å; F94-S97 VanDerWaalsContact O-N 3.09Å; F94-S97 PolarHBondContact O-OG 2.91Å; S97-G99 PolarHBondContact O-N 3.12Å
98	L	96.3	Very high	95.2	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.6	172.5	-67.1	-176.1	0	0	0	112.5	C48 A49 F94 F95 K96 I100 L154 K157	C48-L98 HydrophobicContact CB-CD1 4.33Å; C48-L98 HydrophobicContact CB-CD2 4.48Å; A49-L98 HydrophobicContact CB-CD2 3.84Å; F94-L98 HydrophobicContact CD1-CD1 4.2Å; F94-L98 HydrophobicContact CD2-CG 4.37Å; F94-L98 HydrophobicContact CE1-CD1 3.62Å; F94-L98 HydrophobicContact CE1-CG 4.29Å; F94-L98 HydrophobicContact CE2-CD1 4.16Å; F94-L98 HydrophobicContact CE2-CD2 3.99Å; F94-L98 HydrophobicContact CE2-CG 3.94Å; F94-L98 HydrophobicContact CZ-CD1 3.59Å; F94-L98 HydrophobicContact CZ-CD2 4.01Å; F94-L98 HydrophobicContact CZ-CG 3.89Å; F94-L98 WeakPolarHBondContact O-CG 3.07Å; F94-L98 PolarHBondContact O-N 3.49Å; F95-L98 PolarHBondContact O-N 3.2Å; K96-L98 VanDerWaalsContact C-N 3.27Å; K96-L98 PolarHBondContact O-N 2.98Å; L98-I100 HydrophobicContact CB-CG1 4.14Å; L98-I100 HydrophobicContact CB-CG2 4.37Å; L98-L154 HydrophobicContact CD1-CD2 3.85Å; L98-K157 VanDerWaalsContact O-CE 3.25Å; L98-K157 WeakPolarHBondContact O-CE 3.4Å
99	G	96.5	Very high	95.4	Very high	38 Å²	38	41.1 Å²	41.1	39%	0.392	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	36	-177.1	0	0	0	0	0	113.2	F95 K96 S97 K157	F95-G99 PolarHBondContact O-N 3.02Å; F95-G99 VanDerWaalsContact O-N 3.14Å; K96-G99 WeakPolarHBondContact O-CA 3.44Å; K96-G99 PolarHBondContact O-N 3.35Å; S97-G99 PolarHBondContact O-N 3.12Å; G99-K157 PolarHBondContact O-NZ 3.24Å; G99-K157 VanDerWaalsContact O-NZ 3.1Å
100	I	97.3	Very high	95.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.223	C	C	.	.			trans	-115.3	-13.5	177.8	64.3	151.8	0	0	0	113.8	F95 L98 Q102 D103 V104 L154 K157	F95-I100 HydrophobicContact CB-CD1 4.1Å; F95-I100 HydrophobicContact CB-CG1 3.81Å; F95-I100 HydrophobicContact CD1-CD1 3.82Å; F95-I100 HydrophobicContact CD1-CG1 4.37Å; F95-I100 HydrophobicContact CD2-CD1 4.36Å; F95-I100 HydrophobicContact CE1-CD1 4.31Å; F95-I100 HydrophobicContact CG-CD1 3.84Å; F95-I100 HydrophobicContact CG-CG1 4.13Å; F95-I100 WeakPolarHBondContact O-CG1 3.38Å; F95-I100 PolarHBondContact O-N 2.88Å; L98-I100 HydrophobicContact CB-CG1 4.14Å; L98-I100 HydrophobicContact CB-CG2 4.37Å; I100-Q102 VanDerWaalsContact C-N 3.32Å; I100-Q102 PolarHBondContact O-N 3.27Å; I100-D103 PolarHBondContact O-N 2.79Å; I100-D103 VanDerWaalsContact O-N 3.16Å; I100-V104 HydrophobicContact CD1-CG2 4.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.16Å; I100-V104 PolarHBondContact O-N 3.37Å; I100-V104 VanDerWaalsContact O-N 3.09Å; I100-L154 HydrophobicContact CD1-CD2 3.61Å; I100-L154 HydrophobicContact CD1-CG 3.86Å; I100-K157 HydrophobicContact CG2-CB 3.61Å; I100-K157 HydrophobicContact CG2-CD 4.31Å; I100-K157 HydrophobicContact CG2-CG 3.76Å
101	W	97.6	Very high	96	Very high	30 Å²	30	42.8 Å²	42.8	11%	0.114	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-42.3	-172.8	177.1	-118.1	0	0	0	113.2	V92 F95 K96 D103 V104 W105 Y143 I145	V92-W101 HydrophobicContact CB-CE3 4.38Å; V92-W101 HydrophobicContact CB-CH2 4.43Å; V92-W101 HydrophobicContact CB-CZ3 4.31Å; V92-W101 HydrophobicContact CG1-CD2 3.58Å; V92-W101 HydrophobicContact CG1-CE3 3.83Å; V92-W101 HydrophobicContact CG1-CG 4.14Å; V92-W101 HydrophobicContact CG1-CH2 3.97Å; V92-W101 HydrophobicContact CG1-CZ2 3.73Å; V92-W101 HydrophobicContact CG1-CZ3 4.02Å; V92-W101 HydrophobicContact CG2-CE3 4.07Å; V92-W101 HydrophobicContact CG2-CH2 3.59Å; V92-W101 HydrophobicContact CG2-CZ2 4.18Å; V92-W101 HydrophobicContact CG2-CZ3 3.53Å; F95-W101 HydrophobicContact CB-CB 4.14Å; F95-W101 HydrophobicContact CB-CE3 4.29Å; F95-W101 HydrophobicContact CD2-CE3 4.02Å; F95-W101 HydrophobicContact CD2-CZ3 4.32Å; F95-W101 PolarHBondContact O-N 2.88Å; K96-W101 HydrophobicContact CB-CB 4.44Å; K96-W101 HydrophobicContact CG-CB 3.66Å; K96-W101 HydrophobicContact CG-CG 3.85Å; W101-D103 VanDerWaalsContact C-N 3.32Å; W101-D103 PolarHBondContact O-N 3.42Å; W101-V104 HydrophobicContact CE3-CB 4.28Å; W101-V104 HydrophobicContact CE3-CG1 4.22Å; W101-V104 HydrophobicContact CZ3-CG1 4Å; W101-V104 PolarHBondContact O-N 2.85Å; W101-W105 HydrophobicContact CH2-CE3 4.18Å; W101-W105 HydrophobicContact CZ2-CB 4.44Å; W101-W105 HydrophobicContact CZ2-CD2 4.45Å; W101-W105 AromaticContact CZ2-CE3 3.77Å; W101-W105 HydrophobicContact CZ2-CE3 3.77Å; W101-W105 HydrophobicContact CZ2-CZ3 4.48Å; W101-W105 WeakPolarHBondContact O-CB 3.21Å; W101-W105 PolarHBondContact O-N 2.77Å; W101-Y143 AromaticContact CH2-CD1 3.65Å; W101-Y143 HydrophobicContact CH2-CD1 3.65Å; W101-Y143 HydrophobicContact CH2-CD2 4.2Å; W101-Y143 AromaticContact CH2-CE1 3.93Å; W101-Y143 HydrophobicContact CH2-CE1 3.93Å; W101-Y143 HydrophobicContact CH2-CE2 4.46Å; W101-Y143 AromaticContact CH2-CG 3.79Å; W101-Y143 HydrophobicContact CH2-CG 3.79Å; W101-Y143 HydrophobicContact CZ2-CD1 4.01Å; W101-Y143 AromaticContact CZ2-CE1 3.8Å; W101-Y143 HydrophobicContact CZ2-CE1 3.8Å; W101-Y143 HydrophobicContact CZ2-CG 4.47Å; W101-I145 HydrophobicContact CH2-CD1 4.2Å; W101-I145 HydrophobicContact CZ3-CD1 3.76Å
102	Q	97.4	Very high	95.9	Very high	124 Å²	124	42.8 Å²	42.8	58%	0.579	23%	0.227	S	C	*	.	H	α-helix	trans	-62.7	-40.2	-179.7	-170.8	60	38.4	0	0	112.1	I100 S106	I100-Q102 VanDerWaalsContact C-N 3.32Å; I100-Q102 PolarHBondContact O-N 3.27Å; Q102-S106 PolarHBondContact NE2-OG 2.83Å; Q102-S106 VanDerWaalsContact NE2-OG 3.09Å; Q102-S106 VanDerWaalsContact O-CB 3.24Å; Q102-S106 WeakPolarHBondContact O-CB 3.37Å; Q102-S106 PolarHBondContact O-N 2.88Å; Q102-S106 PolarHBondContact O-OG 2.86Å
103	D	96.3	Very high	95.7	Very high	55 Å²	55	43.5 Å²	43.5	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-43.1	175.8	-78.4	-0.2	0	0	0	111.1	I100 W101 A107 K156	I100-D103 PolarHBondContact O-N 2.79Å; I100-D103 VanDerWaalsContact O-N 3.16Å; W101-D103 VanDerWaalsContact C-N 3.32Å; W101-D103 PolarHBondContact O-N 3.42Å; D103-A107 WeakPolarHBondContact O-CB 3.3Å; D103-A107 PolarHBondContact O-N 2.92Å; D103-K156 IonicContact OD1-NZ 3.22Å; D103-K156 IonicContact OD2-NZ 3.05Å; D103-K156 PolarHBondContact OD2-NZ 2.82Å
104	V	97.6	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-49.7	177.4	171.7	0	0	0	0	111.4	I100 W101 S106 A107 R108 I145 V149 S153	I100-V104 HydrophobicContact CD1-CG2 4.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.16Å; I100-V104 PolarHBondContact O-N 3.37Å; I100-V104 VanDerWaalsContact O-N 3.09Å; W101-V104 HydrophobicContact CE3-CB 4.28Å; W101-V104 HydrophobicContact CE3-CG1 4.22Å; W101-V104 HydrophobicContact CZ3-CG1 4Å; W101-V104 PolarHBondContact O-N 2.85Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 2.83Å; V104-A107 PolarHBondContact O-N 3.41Å; V104-R108 PolarHBondContact O-N 3.46Å; V104-I145 HydrophobicContact CG1-CD1 3.71Å; V104-I145 HydrophobicContact CG1-CG1 4.41Å; V104-I145 HydrophobicContact CG1-CG2 3.75Å; V104-V149 HydrophobicContact CB-CG1 4.4Å; V104-V149 HydrophobicContact CG1-CG1 4.13Å; V104-V149 HydrophobicContact CG2-CG1 4.5Å; V104-S153 WeakPolarHBondContact CG2-OG 3.12Å
105	W	97.1	Very high	95.2	Very high	105 Å²	105	42.3 Å²	42.3	40%	0.398	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-41.9	179.6	179.8	-103.4	0	0	0	112.1	W101 A107 A109 E111 Y143	W101-W105 HydrophobicContact CH2-CE3 4.18Å; W101-W105 HydrophobicContact CZ2-CB 4.44Å; W101-W105 HydrophobicContact CZ2-CD2 4.45Å; W101-W105 AromaticContact CZ2-CE3 3.77Å; W101-W105 HydrophobicContact CZ2-CE3 3.77Å; W101-W105 HydrophobicContact CZ2-CZ3 4.48Å; W101-W105 WeakPolarHBondContact O-CB 3.21Å; W101-W105 PolarHBondContact O-N 2.77Å; W105-A107 VanDerWaalsContact C-N 3.34Å; W105-A109 HydrophobicContact CE3-CB 3.86Å; W105-A109 HydrophobicContact CZ3-CB 4.26Å; W105-E111 HydrophobicContact CH2-CG 3.9Å; W105-E111 HydrophobicContact CZ3-CG 3.99Å; W105-Y143 HydrophobicContact CE3-CD1 4.39Å; W105-Y143 HydrophobicContact CE3-CE1 4.32Å; W105-Y143 AromaticContact CZ3-CD1 3.89Å; W105-Y143 HydrophobicContact CZ3-CD1 3.89Å; W105-Y143 AromaticContact CZ3-CE1 3.74Å; W105-Y143 HydrophobicContact CZ3-CE1 3.74Å
106	S	96.5	Very high	94.8	Very high	80 Å²	80	42.5 Å²	42.5	56%	0.559	23%	0.226	S	C	*	.	H	α-helix	trans	-76.5	-23.4	-177.3	-50.3	0	0	0	0	112.7	Q102 V104	Q102-S106 PolarHBondContact NE2-OG 2.83Å; Q102-S106 VanDerWaalsContact NE2-OG 3.09Å; Q102-S106 VanDerWaalsContact O-CB 3.24Å; Q102-S106 WeakPolarHBondContact O-CB 3.37Å; Q102-S106 PolarHBondContact O-N 2.88Å; Q102-S106 PolarHBondContact O-OG 2.86Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 2.83Å
107	A	96.2	Very high	94.3	Very high	18 Å²	18	38.1 Å²	38.1	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-69.3	173.8	0	0	0	0	0	111.3	M75 P76 D103 V104 W105 V149	M75-A107 HydrophobicContact CB-CB 4.14Å; P76-A107 VanDerWaalsContact CB-O 3.3Å; P76-A107 WeakPolarHBondContact CB-O 3.21Å; P76-A107 VanDerWaalsContact CG-O 3.3Å; P76-A107 WeakPolarHBondContact CG-O 3.27Å; D103-A107 WeakPolarHBondContact O-CB 3.3Å; D103-A107 PolarHBondContact O-N 2.92Å; V104-A107 PolarHBondContact O-N 3.41Å; W105-A107 VanDerWaalsContact C-N 3.34Å; A107-V149 HydrophobicContact CB-CG1 3.75Å; A107-V149 HydrophobicContact CB-CG2 4.32Å
108	R	96	Very high	94	Very high	50 Å²	50	36 Å²	36	19%	0.189	19%	0.188	C	C	.	.			trans	-171.2	113	177	-130.4	-163.9	-41.5	-120.7	8.8	111	P76 P77 V104 E146 V149	P76-R108 HydrophobicContact CB-CB 4.02Å; P76-R108 HydrophobicContact CB-CG 4.31Å; P77-R108 VanDerWaalsContact O-CZ 3.27Å; P77-R108 PolarHBondContact O-NH1 3.46Å; P77-R108 PolarHBondContact O-NH2 3.2Å; V104-R108 PolarHBondContact O-N 3.46Å; R108-E146 IonicContact CZ-OE1 3.85Å; R108-E146 IonicContact CZ-OE2 3.25Å; R108-E146 VanDerWaalsContact CZ-OE2 3.25Å; R108-E146 IonicContact NE-OE1 3.81Å; R108-E146 IonicContact NE-OE2 2.91Å; R108-E146 PolarHBondContact NE-OE2 2.84Å; R108-E146 IonicContact NH2-OE1 3.41Å; R108-E146 PolarHBondContact NH2-OE1 3.45Å; R108-E146 IonicContact NH2-OE2 2.74Å; R108-E146 PolarHBondContact NH2-OE2 3.22Å; R108-V149 HydrophobicContact CB-CG2 4.45Å
109	A	95.8	Very high	93.4	Very high	21 Å²	21	35.8 Å²	35.8	17%	0.174	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.8	171.8	0	0	0	0	0	109.3	W105 I145	W105-A109 HydrophobicContact CE3-CB 3.86Å; W105-A109 HydrophobicContact CZ3-CB 4.26Å; A109-I145 HydrophobicContact CB-CD1 4.15Å; A109-I145 HydrophobicContact CB-CG1 3.79Å
110	Q	95.1	Very high	92.6	Very high	33 Å²	33	34.2 Å²	34.2	15%	0.154	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.4	178.4	178.4	61.7	9.9	0	0	111	Y143 I144 N241 H242 P258 L259	Q110-Y143 CarbonylContact O-C 3.59Å; Q110-Y143 VanDerWaalsContact O-CA 3.3Å; Q110-Y143 WeakPolarHBondContact O-CA 3.31Å; Q110-I144 HydrophobicContact CB-CB 4.5Å; Q110-I144 PolarHBondContact N-O 2.86Å; Q110-I144 PolarHBondContact O-N 3.08Å; Q110-N241 PolarHBondContact NE2-O 2.97Å; Q110-H242 PolarHBondContact NE2-CE1 3.34Å; Q110-H242 VanDerWaalsContact NE2-CE1 3.31Å; Q110-H242 PolarHBondContact NE2-ND1 3.16Å; Q110-P258 HydrophobicContact CG-CB 4.07Å; Q110-P258 HydrophobicContact CG-CG 4.4Å; Q110-P258 WeakPolarHBondContact CG-O 3.15Å; Q110-L259 WeakPolarHBondContact CB-O 3.43Å
111	E	94.2	Very high	91.5	Very high	42 Å²	42	34.2 Å²	34.2	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.4	175.8	-65.6	-171.7	152.2	0	0	111.9	W105 T113 R138 P140 Y143	W105-E111 HydrophobicContact CH2-CG 3.9Å; W105-E111 HydrophobicContact CZ3-CG 3.99Å; E111-T113 HydrophobicContact CB-CG2 4.19Å; E111-R138 IonicContact OE2-NH1 2.94Å; E111-R138 PolarHBondContact OE2-NH1 2.64Å; E111-R138 VanDerWaalsContact OE2-NH1 3.15Å; E111-P140 HydrophobicContact CB-CB 4.32Å; E111-P140 HydrophobicContact CB-CG 4.25Å; E111-P140 HydrophobicContact CG-CB 4.49Å; E111-P140 HydrophobicContact CG-CG 4Å; E111-Y143 HydrophobicContact CG-CD1 3.86Å; E111-Y143 HydrophobicContact CG-CE1 3.55Å
112	V	92.1	Very high	90.4	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.4	165.8	-174.9	0	0	0	0	108	R114 P140 I141 A142 I144 A244 P258	V112-R114 VanDerWaalsContact CG1-O 3.27Å; V112-R114 WeakPolarHBondContact CG1-O 3.37Å; V112-P140 WeakPolarHBondContact O-CB 3.42Å; V112-I141 HydrophobicContact CG1-CB 4.42Å; V112-I141 WeakPolarHBondContact O-CB 3.19Å; V112-I141 PolarHBondContact O-N 3.1Å; V112-A142 HydrophobicContact CB-CB 4.31Å; V112-A142 HydrophobicContact CG2-CB 4.32Å; V112-A142 PolarHBondContact N-O 2.8Å; V112-I144 HydrophobicContact CG2-CD1 3.65Å; V112-I144 HydrophobicContact CG2-CG1 3.57Å; V112-A244 HydrophobicContact CG1-CB 3.57Å; V112-P258 HydrophobicContact CG2-CG 3.79Å
113	T	90	Very high	89.3	Confident	19 Å²	19	30.5 Å²	30.5	12%	0.117	16%	0.156	C	C	.	.			trans	-102.8	-13.9	-175	64.1	0	0	0	0	111.4	E111 A129 E130 H242	E111-T113 HydrophobicContact CB-CG2 4.19Å; T113-A129 CarbonylContact O-C 3.6Å; T113-E130 VanDerWaalsContact CB-OE2 3.27Å; T113-E130 WeakPolarHBondContact CB-OE2 3.32Å; T113-E130 VanDerWaalsContact CG2-OE2 3.31Å; T113-E130 WeakPolarHBondContact CG2-OE2 3.41Å; T113-E130 PolarHBondContact O-N 3.04Å; T113-H242 HydrophobicContact CG2-CB 4.34Å; T113-H242 PolarHBondContact N-O 3.37Å; T113-H242 WeakPolarHBondContact OG1-CB 3.32Å
114	R	89.4	Confident	88.3	Confident	42 Å²	42	28 Å²	28	16%	0.158	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.8	-179.4	-170.6	168.1	176.2	-103.6	5	110.2	V112 F128 H242 T243 A244 D330 N331	V112-R114 VanDerWaalsContact CG1-O 3.27Å; V112-R114 WeakPolarHBondContact CG1-O 3.37Å; R114-F128 CarbonylContact C-O 3.54Å; R114-F128 WeakPolarHBondContact CA-O 3.38Å; R114-F128 WeakPolarHBondContact CG-O 3.27Å; R114-H242 PolarHBondContact N-O 2.94Å; R114-T243 HydrophobicContact CB-CG2 4.25Å; R114-T243 HydrophobicContact CG-CG2 4.17Å; R114-T243 CarbonylContact O-C 3.55Å; R114-T243 VanDerWaalsContact O-CA 3.28Å; R114-T243 WeakPolarHBondContact O-CA 3.26Å; R114-A244 PolarHBondContact O-N 2.91Å; R114-D330 PolarHBondContact NH1-O 3.37Å; R114-N331 PolarHBondContact NH2-OD1 2.93Å
115	M	88.8	Confident	87.5	Confident	41 Å²	41	31.4 Å²	31.4	20%	0.202	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.5	174.7	177	173.9	150.9	0	0	109.7	V117 T127 F128 I141 A244	M115-V117 HydrophobicContact CE-CG2 3.28Å; M115-V117 HydrophobicContact CG-CG2 4.1Å; M115-T127 CarbonylContact O-C 3.5Å; M115-T127 WeakPolarHBondContact O-CA 3.32Å; M115-F128 HydrophobicContact CB-CB 4.25Å; M115-F128 HydrophobicContact CB-CD2 4.3Å; M115-F128 HydrophobicContact CE-CD2 4.4Å; M115-F128 HydrophobicContact CE-CE2 4.35Å; M115-F128 HydrophobicContact CG-CD2 4.27Å; M115-F128 PolarHBondContact N-O 3.47Å; M115-F128 PolarHBondContact O-N 2.95Å; M115-F128 HydrophobicContact SD-CD2 4.4Å; M115-I141 HydrophobicContact CB-CD1 3.9Å; M115-A244 CarbonylContact C-O 3.54Å; M115-A244 VanDerWaalsContact CA-O 3.23Å; M115-A244 WeakPolarHBondContact CA-O 3.41Å; M115-A244 HydrophobicContact CB-CB 4.41Å; M115-A244 HydrophobicContact CG-CB 4.34Å
116	V	89.1	Confident	86.7	Confident	3 Å²	3	27 Å²	27	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.4	177.7	-177.5	0	0	0	0	107.9	W118 T127 T243 A244 F245 Q246	V116-W118 HydrophobicContact CG1-CE3 4.13Å; V116-T127 HydrophobicContact CG2-CG2 4.23Å; V116-T243 HydrophobicContact CB-CG2 4.44Å; V116-T243 HydrophobicContact CG2-CG2 3.71Å; V116-A244 PolarHBondContact N-O 3.37Å; V116-F245 HydrophobicContact CB-CD1 3.89Å; V116-F245 HydrophobicContact CB-CE1 4.06Å; V116-F245 HydrophobicContact CG1-CD1 4.42Å; V116-F245 HydrophobicContact CG2-CD1 4.4Å; V116-F245 HydrophobicContact CG2-CE1 4.09Å; V116-F245 CarbonylContact O-C 3.6Å; V116-F245 WeakPolarHBondContact O-CA 3.34Å; V116-Q246 PolarHBondContact O-N 3.46Å
117	V	86.9	Confident	86.1	Confident	8 Å²	8	24.7 Å²	24.7	5%	0.048	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.4	177	-174	0	0	0	0	108.9	M115 Y125 I126 F128 Q246 F248 L448	M115-V117 HydrophobicContact CE-CG2 3.28Å; M115-V117 HydrophobicContact CG-CG2 4.1Å; V117-Y125 CarbonylContact O-C 3.55Å; V117-Y125 WeakPolarHBondContact O-CA 3.28Å; V117-Y125 WeakPolarHBondContact O-CB 3.38Å; V117-I126 HydrophobicContact CB-CB 4.38Å; V117-I126 PolarHBondContact N-O 3.42Å; V117-I126 PolarHBondContact O-N 3.34Å; V117-F128 HydrophobicContact CG2-CD2 4.49Å; V117-F128 HydrophobicContact CG2-CE2 4.13Å; V117-Q246 CarbonylContact C-O 3.6Å; V117-Q246 WeakPolarHBondContact CA-O 3.31Å; V117-Q246 HydrophobicContact CG2-CB 4.35Å; V117-F248 HydrophobicContact CG1-CD2 3.85Å; V117-F248 HydrophobicContact CG1-CE2 3.6Å; V117-L448 HydrophobicContact CG1-CD2 4.39Å
118	W	88.2	Confident	85.3	Confident	36 Å²	36	24.9 Å²	24.9	14%	0.136	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	175.5	174.1	73.1	103.8	0	0	0	111.1	V116 F245 Q246 R247 F248 L294 P333	V116-W118 HydrophobicContact CG1-CE3 4.13Å; W118-F245 HydrophobicContact CH2-CB 3.86Å; W118-F245 HydrophobicContact CH2-CD1 4.08Å; W118-F245 HydrophobicContact CH2-CG 4.4Å; W118-F245 HydrophobicContact CZ3-CB 3.69Å; W118-F245 AromaticContact CZ3-CD1 3.72Å; W118-F245 HydrophobicContact CZ3-CD1 3.72Å; W118-F245 HydrophobicContact CZ3-CG 4.2Å; W118-Q246 PolarHBondContact N-O 3.28Å; W118-R247 HydrophobicContact CD2-CB 4.1Å; W118-R247 HydrophobicContact CD2-CG 4.25Å; W118-R247 HydrophobicContact CG-CG 4.42Å; W118-R247 HydrophobicContact CH2-CB 4.09Å; W118-R247 HydrophobicContact CZ2-CB 3.63Å; W118-R247 HydrophobicContact CZ2-CG 4.04Å; W118-R247 WeakPolarHBondContact O-CA 3.4Å; W118-F248 PolarHBondContact O-N 3Å; W118-L294 HydrophobicContact CH2-CD2 4.32Å; W118-L294 HydrophobicContact CZ2-CD2 4.34Å; W118-P333 HydrophobicContact CH2-CB 4.1Å; W118-P333 HydrophobicContact CH2-CG 4Å; W118-P333 HydrophobicContact CZ2-CG 4.02Å
119	E	83.8	Confident	84.7	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	168.1	179.8	67.4	174.1	171.2	0	0	113.2	C121 S122 F248 Y433 R444 S445 L448	E119-C121 PolarHBondContact OE2-SG 2.97Å; E119-S122 WeakPolarHBondContact OE1-CB 3.35Å; E119-S122 PolarHBondContact OE1-OG 3.4Å; E119-F248 CarbonylContact C-O 3.5Å; E119-F248 WeakPolarHBondContact CA-O 3.26Å; E119-F248 HydrophobicContact CB-CB 4.27Å; E119-Y433 HydrophobicContact CB-CE1 4.08Å; E119-R444 WeakPolarHBondContact OE2-CG 3.3Å; E119-R444 IonicContact OE2-CZ 3.73Å; E119-R444 IonicContact OE2-NE 2.71Å; E119-R444 PolarHBondContact OE2-NE 3.05Å; E119-R444 IonicContact OE2-NH2 3.37Å; E119-S445 VanDerWaalsContact OE1-CA 3.25Å; E119-S445 WeakPolarHBondContact OE1-CA 3.19Å; E119-S445 VanDerWaalsContact OE1-CB 3.25Å; E119-S445 WeakPolarHBondContact OE1-CB 3.37Å; E119-S445 PolarHBondContact OE1-OG 2.66Å; E119-L448 HydrophobicContact CB-CD1 3.98Å; E119-L448 VanDerWaalsContact CD-CD1 3.43Å; E119-L448 HydrophobicContact CG-CD1 3.7Å
120	D	80.3	Confident	83.7	Confident	5 Å²	5	27 Å²	27	3%	0.027	14%	0.139	C	C	.	.	S	Bend	trans	-85.3	-17.5	-174.6	176.9	48.7	0	0	0	115.2	R247 F248 V249 N299 H300	D120-R247 IonicContact OD1-CZ 3.9Å; D120-R247 IonicContact OD1-NH2 2.75Å; D120-R247 PolarHBondContact OD1-NH2 3.34Å; D120-F248 WeakPolarHBondContact CB-O 3.36Å; D120-F248 PolarHBondContact N-O 2.82Å; D120-V249 HydrophobicContact CB-CB 4.45Å; D120-V249 HydrophobicContact CB-CG1 4.13Å; D120-N299 CarbonylContact O-C 3.57Å; D120-N299 VanDerWaalsContact OD2-CB 3.26Å; D120-N299 WeakPolarHBondContact OD2-CB 3.22Å; D120-N299 PolarHBondContact OD2-ND2 3.37Å; D120-H300 PolarHBondContact O-CD2 3.04Å
121	C	73.9	Confident	82.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.138	C	C	.	.	S	Bend	trans	-105.1	-7.8	-170.7	61.8	0	0	0	0	114.6	E119 N299 H300 S301 V441 R444	E119-C121 PolarHBondContact OE2-SG 2.97Å; C121-N299 WeakPolarHBondContact CA-O 3.49Å; C121-H300 WeakPolarHBondContact O-CA 3.49Å; C121-S301 PolarHBondContact O-N 3.09Å; C121-V441 HydrophobicContact CB-CG1 3.86Å; C121-V441 VanDerWaalsContact SG-CG1 3.57Å; C121-R444 PolarHBondContact SG-NE 2.68Å; C121-R444 VanDerWaalsContact SG-NE 3.45Å; C121-R444 PolarHBondContact SG-NH2 2.78Å
122	S	73.3	Confident	81.4	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.014	16%	0.158	C	C	.	.	S	Bend	trans	-152.5	167.6	-175.8	87.8	0	0	0	0	110.8	E119 A124 N305	E119-S122 WeakPolarHBondContact OE1-CB 3.35Å; E119-S122 PolarHBondContact OE1-OG 3.4Å; S122-A124 PolarHBondContact O-N 2.85Å; S122-A124 WeakPolarHBondContact OG-CB 3.35Å; S122-A124 PolarHBondContact OG-N 2.71Å; S122-N305 WeakPolarHBondContact CA-OD1 3.35Å; S122-N305 VanDerWaalsContact CB-OD1 3.27Å; S122-N305 WeakPolarHBondContact CB-OD1 3.33Å
123	D	74.7	Confident	80.1	Confident	75 Å²	75	32.3 Å²	32.3	40%	0.401	17%	0.169	S	C	.	.	S	Bend	trans	-81.1	14.5	173.3	-59.1	-50.9	0	0	0	112.8	H300 N305	D123-H300 IonicContact OD1-CE1 3.31Å; D123-H300 PolarHBondContact OD1-CE1 3.16Å; D123-H300 IonicContact OD1-ND1 3.52Å; D123-H300 PolarHBondContact OD1-ND1 3.37Å; D123-N305 PolarHBondContact N-OD1 2.92Å; D123-N305 VanDerWaalsContact N-OD1 3.08Å; D123-N305 PolarHBondContact OD2-ND2 3.16Å
124	A	75.7	Confident	79.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.008	21%	0.209	C	C	.	.			trans	-72.1	135.5	179.4	0	0	0	0	0	111.8	S122 L308 L448	S122-A124 PolarHBondContact O-N 2.85Å; S122-A124 WeakPolarHBondContact OG-CB 3.35Å; S122-A124 PolarHBondContact OG-N 2.71Å; A124-L308 HydrophobicContact CB-CD2 4.03Å; A124-L448 HydrophobicContact CB-CB 4.06Å; A124-L448 HydrophobicContact CB-CD1 4.2Å
125	Y	80.1	Confident	78.2	Confident	72 Å²	72	39.6 Å²	39.6	28%	0.282	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.2	172.5	66.4	-90.8	0	0	0	111	V117 T127 N452	V117-Y125 CarbonylContact O-C 3.55Å; V117-Y125 WeakPolarHBondContact O-CA 3.28Å; V117-Y125 WeakPolarHBondContact O-CB 3.38Å; Y125-T127 HydrophobicContact CD2-CG2 3.91Å; Y125-T127 HydrophobicContact CE2-CG2 4.09Å; Y125-N452 VanDerWaalsContact O-CB 3.3Å; Y125-N452 WeakPolarHBondContact O-CB 3.44Å
126	I	81.2	Confident	77.1	Confident	13 Å²	13	44.1 Å²	44.1	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.5	165.4	-57.9	169.5	0	0	0	108	V117 F128 L448 V451 N452	V117-I126 HydrophobicContact CB-CB 4.38Å; V117-I126 PolarHBondContact N-O 3.42Å; V117-I126 PolarHBondContact O-N 3.34Å; I126-F128 HydrophobicContact CB-CE2 4.25Å; I126-F128 HydrophobicContact CG2-CD2 4.04Å; I126-F128 HydrophobicContact CG2-CE1 4.05Å; I126-F128 HydrophobicContact CG2-CE2 3.49Å; I126-F128 VanDerWaalsContact CG2-CE2 3.49Å; I126-F128 HydrophobicContact CG2-CZ 3.51Å; I126-L448 HydrophobicContact CD1-CB 4.42Å; I126-L448 HydrophobicContact CD1-CD2 3.4Å; I126-L448 HydrophobicContact CD1-CG 4.44Å; I126-L448 HydrophobicContact CG1-CB 4.39Å; I126-L448 HydrophobicContact CG1-CD2 3.78Å; I126-L448 WeakPolarHBondContact CG1-O 3.45Å; I126-V451 HydrophobicContact CD1-CB 3.82Å; I126-V451 HydrophobicContact CD1-CG1 3.8Å; I126-V451 HydrophobicContact CG1-CB 4.46Å; I126-V451 HydrophobicContact CG2-CG1 4.39Å; I126-N452 WeakPolarHBondContact CA-OD1 3.5Å; I126-N452 HydrophobicContact CB-CB 4.45Å; I126-N452 HydrophobicContact CG1-CB 4.12Å; I126-N452 HydrophobicContact CG2-CB 4.5Å
127	T	82.6	Confident	76.4	Confident	32 Å²	32	50.2 Å²	50.2	20%	0.196	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.6	166.8	56.6	0	0	0	0	111.1	M115 V116 Y125 N452 K458	M115-T127 CarbonylContact O-C 3.5Å; M115-T127 WeakPolarHBondContact O-CA 3.32Å; V116-T127 HydrophobicContact CG2-CG2 4.23Å; Y125-T127 HydrophobicContact CD2-CG2 3.91Å; Y125-T127 HydrophobicContact CE2-CG2 4.09Å; T127-N452 PolarHBondContact N-OD1 3.09Å; T127-N452 VanDerWaalsContact N-OD1 3.13Å; T127-K458 WeakPolarHBondContact O-CD 3.3Å; T127-K458 WeakPolarHBondContact O-CE 3.49Å; T127-K458 PolarHBondContact O-NZ 2.9Å
128	F	80.3	Confident	76	Confident	22 Å²	22	56 Å²	56	10%	0.096	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.9	166.7	-56.3	-84.2	0	0	0	108.9	R114 M115 V117 I126 I141 K458 F461 L462	R114-F128 CarbonylContact C-O 3.54Å; R114-F128 WeakPolarHBondContact CA-O 3.38Å; R114-F128 WeakPolarHBondContact CG-O 3.27Å; M115-F128 HydrophobicContact CB-CB 4.25Å; M115-F128 HydrophobicContact CB-CD2 4.3Å; M115-F128 HydrophobicContact CE-CD2 4.4Å; M115-F128 HydrophobicContact CE-CE2 4.35Å; M115-F128 HydrophobicContact CG-CD2 4.27Å; M115-F128 PolarHBondContact N-O 3.47Å; M115-F128 PolarHBondContact O-N 2.95Å; M115-F128 HydrophobicContact SD-CD2 4.4Å; V117-F128 HydrophobicContact CG2-CD2 4.49Å; V117-F128 HydrophobicContact CG2-CE2 4.13Å; I126-F128 HydrophobicContact CB-CE2 4.25Å; I126-F128 HydrophobicContact CG2-CD2 4.04Å; I126-F128 HydrophobicContact CG2-CE1 4.05Å; I126-F128 HydrophobicContact CG2-CE2 3.49Å; I126-F128 VanDerWaalsContact CG2-CE2 3.49Å; I126-F128 HydrophobicContact CG2-CZ 3.51Å; F128-I141 HydrophobicContact CB-CD1 3.86Å; F128-K458 HydrophobicContact CD1-CB 4.27Å; F128-K458 HydrophobicContact CD1-CG 4.45Å; F128-K458 HydrophobicContact CE1-CB 4.18Å; F128-K458 HydrophobicContact CE1-CG 4.25Å; F128-F461 HydrophobicContact CE1-CB 4.3Å; F128-L462 HydrophobicContact CB-CD1 4.29Å; F128-L462 HydrophobicContact CB-CD2 4.1Å; F128-L462 HydrophobicContact CB-CG 4.42Å; F128-L462 HydrophobicContact CD1-CD1 3.9Å; F128-L462 HydrophobicContact CD1-CD2 4.07Å; F128-L462 HydrophobicContact CD1-CG 3.66Å; F128-L462 HydrophobicContact CE1-CG 4.32Å; F128-L462 HydrophobicContact CG-CD2 4.28Å; F128-L462 HydrophobicContact CG-CG 4.35Å
129	A	82.2	Confident	75.8	Confident	59 Å²	59	56.4 Å²	56.4	49%	0.488	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.1	172.5	0	0	0	0	0	108.7	T113	T113-A129 CarbonylContact O-C 3.6Å
130	E	75.3	Confident	76	Confident	57 Å²	57	56.4 Å²	56.4	27%	0.266	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-52.6	150	169.1	64.8	-170.8	176.8	0	0	111.9	T113 R138 M139	T113-E130 VanDerWaalsContact CB-OE2 3.27Å; T113-E130 WeakPolarHBondContact CB-OE2 3.32Å; T113-E130 VanDerWaalsContact CG2-OE2 3.31Å; T113-E130 WeakPolarHBondContact CG2-OE2 3.41Å; T113-E130 PolarHBondContact O-N 3.04Å; E130-R138 VanDerWaalsContact CD-CZ 3.46Å; E130-R138 HydrophobicContact CG-CG 4.48Å; E130-R138 IonicContact OE1-CZ 2.78Å; E130-R138 IonicContact OE1-NE 3.15Å; E130-R138 PolarHBondContact OE1-NE 2.83Å; E130-R138 IonicContact OE1-NH2 2.79Å; E130-R138 PolarHBondContact OE1-NH2 2.9Å; E130-R138 WeakPolarHBondContact OE2-CG 3.36Å; E130-R138 IonicContact OE2-CZ 3.51Å; E130-R138 IonicContact OE2-NE 3.93Å; E130-R138 PolarHBondContact OE2-NE 3.44Å; E130-R138 IonicContact OE2-NH1 3.79Å; E130-R138 IonicContact OE2-NH2 2.94Å; E130-R138 PolarHBondContact OE2-NH2 3.03Å; E130-M139 WeakPolarHBondContact CB-O 3.37Å
131	K	74.3	Confident	76.3	Confident	34 Å²	34	57.1 Å²	57.1	15%	0.148	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	150	178.1	-65.1	-172.6	-174.2	-175.5	0	109.3	M139 D459 L462 D463	K131-M139 PolarHBondContact N-O 3.42Å; K131-M139 PolarHBondContact O-N 3.02Å; K131-D459 WeakPolarHBondContact CE-OD1 3.5Å; K131-D459 PolarHBondContact NZ-O 3.13Å; K131-D459 IonicContact NZ-OD1 2.77Å; K131-D459 PolarHBondContact NZ-OD1 2.94Å; K131-L462 HydrophobicContact CG-CD1 4.5Å; K131-D463 IonicContact NZ-OD1 2.62Å; K131-D463 PolarHBondContact NZ-OD1 3Å
132	N	67.5	Low	77.2	Confident	112 Å²	112	57.7 Å²	57.7	60%	0.599	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	135.3	158.3	-67.5	-24.6	0	0	0	108.2	E137	N132-E137 CarbonylContact C-O 3.43Å; N132-E137 WeakPolarHBondContact CA-O 3.48Å
133	T	65.3	Low	78.2	Confident	44 Å²	44	59 Å²	59	27%	0.27	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-67.4	170.3	170.3	63.9	0	0	0	0	110.3	T135 N136 E137 M139	T133-T135 PolarHBondContact O-N 2.68Å; T133-T135 VanDerWaalsContact O-N 3.08Å; T133-T135 PolarHBondContact OG1-N 2.98Å; T133-T135 PolarHBondContact OG1-OG1 3.46Å; T133-N136 PolarHBondContact O-N 2.91Å; T133-E137 HydrophobicContact CG2-CB 4.3Å; T133-E137 PolarHBondContact N-O 2.86Å; T133-E137 WeakPolarHBondContact OG1-CB 3.48Å; T133-E137 PolarHBondContact OG1-N 3.47Å; T133-E137 PolarHBondContact OG1-O 2.89Å; T133-M139 HydrophobicContact CG2-CB 4.18Å
134	A	68	Low	79.2	Confident	114 Å²	114	55.6 Å²	55.6	94%	0.942	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.1	171.7	0	0	0	0	0	113
135	T	70.1	Confident	80.1	Confident	100 Å²	100	55.6 Å²	55.6	61%	0.613	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	10.2	175.5	54.4	0	0	0	0	113.3	T133 E137	T133-T135 PolarHBondContact O-N 2.68Å; T133-T135 VanDerWaalsContact O-N 3.08Å; T133-T135 PolarHBondContact OG1-N 2.98Å; T133-T135 PolarHBondContact OG1-OG1 3.46Å; T135-E137 PolarHBondContact O-N 3.22Å
136	N	66.6	Low	80.8	Confident	136 Å²	136	52.3 Å²	52.3	73%	0.727	29%	0.291	S	S	*	.			trans	59.9	21.2	-173.9	-65.9	-35.2	0	0	0	114.7	T133	T133-N136 PolarHBondContact O-N 2.91Å
137	E	73.4	Confident	81.4	Confident	131 Å²	131	53.3 Å²	53.3	61%	0.612	30%	0.296	S	S	*	.			trans	-80.9	136.3	170.5	-65.5	177.3	164.4	0	0	109.6	N132 T133 T135 M139	N132-E137 CarbonylContact C-O 3.43Å; N132-E137 WeakPolarHBondContact CA-O 3.48Å; T133-E137 HydrophobicContact CG2-CB 4.3Å; T133-E137 PolarHBondContact N-O 2.86Å; T133-E137 WeakPolarHBondContact OG1-CB 3.48Å; T133-E137 PolarHBondContact OG1-N 3.47Å; T133-E137 PolarHBondContact OG1-O 2.89Å; T135-E137 PolarHBondContact O-N 3.22Å; E137-M139 PolarHBondContact O-N 3.15Å
138	R	79.7	Confident	82	Confident	128 Å²	128	55.1 Å²	55.1	48%	0.483	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.3	176.8	-170.3	-175.1	-168.5	-129.8	-3.7	109	E111 E130 P140	E111-R138 IonicContact OE2-NH1 2.94Å; E111-R138 PolarHBondContact OE2-NH1 2.64Å; E111-R138 VanDerWaalsContact OE2-NH1 3.15Å; E130-R138 VanDerWaalsContact CD-CZ 3.46Å; E130-R138 HydrophobicContact CG-CG 4.48Å; E130-R138 IonicContact OE1-CZ 2.78Å; E130-R138 IonicContact OE1-NE 3.15Å; E130-R138 PolarHBondContact OE1-NE 2.83Å; E130-R138 IonicContact OE1-NH2 2.79Å; E130-R138 PolarHBondContact OE1-NH2 2.9Å; E130-R138 WeakPolarHBondContact OE2-CG 3.36Å; E130-R138 IonicContact OE2-CZ 3.51Å; E130-R138 IonicContact OE2-NE 3.93Å; E130-R138 PolarHBondContact OE2-NE 3.44Å; E130-R138 IonicContact OE2-NH1 3.79Å; E130-R138 IonicContact OE2-NH2 2.94Å; E130-R138 PolarHBondContact OE2-NH2 3.03Å; R138-P140 WeakPolarHBondContact O-CD 3.36Å
139	M	82.9	Confident	82.7	Confident	45 Å²	45	54.1 Å²	54.1	22%	0.222	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	102.2	175.2	-169.3	179.7	79.5	0	0	109.2	P89 E130 K131 T133 E137	P89-M139 HydrophobicContact CB-CG 3.98Å; P89-M139 HydrophobicContact CB-SD 3.95Å; P89-M139 HydrophobicContact CG-CG 3.92Å; P89-M139 HydrophobicContact CG-SD 4.24Å; E130-M139 WeakPolarHBondContact CB-O 3.37Å; K131-M139 PolarHBondContact N-O 3.42Å; K131-M139 PolarHBondContact O-N 3.02Å; T133-M139 HydrophobicContact CG2-CB 4.18Å; E137-M139 PolarHBondContact O-N 3.15Å
140	P	89.1	Confident	83.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	28%	0.275	C	S	.	.			trans	-55.7	158.2	173	-24.4	34.5	0	0	0	111.7	P89 E111 V112 R138 A142 Y143	P89-P140 WeakPolarHBondContact CG-O 3.24Å; E111-P140 HydrophobicContact CB-CB 4.32Å; E111-P140 HydrophobicContact CB-CG 4.25Å; E111-P140 HydrophobicContact CG-CB 4.49Å; E111-P140 HydrophobicContact CG-CG 4Å; V112-P140 WeakPolarHBondContact O-CB 3.42Å; R138-P140 WeakPolarHBondContact O-CD 3.36Å; P140-A142 VanDerWaalsContact C-N 3.35Å; P140-Y143 HydrophobicContact CB-CE2 4.43Å; P140-Y143 WeakPolarHBondContact CD-OH 3.49Å; P140-Y143 HydrophobicContact CG-CE1 4.31Å; P140-Y143 HydrophobicContact CG-CE2 4.41Å; P140-Y143 WeakPolarHBondContact CG-OH 3.44Å
141	I	87.2	Confident	84.3	Confident	21 Å²	21	50.8 Å²	50.8	11%	0.108	27%	0.273	C	S	.	.	S	Bend	trans	-66	-43.1	176	-60.7	176.4	0	0	0	109.9	P89 V112 M115 F128 L462	P89-I141 WeakPolarHBondContact CD-O 3.47Å; V112-I141 HydrophobicContact CG1-CB 4.42Å; V112-I141 WeakPolarHBondContact O-CB 3.19Å; V112-I141 PolarHBondContact O-N 3.1Å; M115-I141 HydrophobicContact CB-CD1 3.9Å; F128-I141 HydrophobicContact CB-CD1 3.86Å; I141-L462 HydrophobicContact CG1-CD2 4.22Å; I141-L462 HydrophobicContact CG2-CD2 4.05Å
142	A	91.6	Very high	85.3	Confident	13 Å²	13	50.8 Å²	50.8	11%	0.107	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	173.3	-179.9	0	0	0	0	0	111.1	A86 I87 V112 P140	A86-A142 HydrophobicContact CB-CB 4.42Å; I87-A142 CarbonylContact O-C 3.6Å; I87-A142 WeakPolarHBondContact O-CA 3.26Å; V112-A142 HydrophobicContact CB-CB 4.31Å; V112-A142 HydrophobicContact CG2-CB 4.32Å; V112-A142 PolarHBondContact N-O 2.8Å; P140-A142 VanDerWaalsContact C-N 3.35Å
143	Y	94.5	Very high	86.7	Confident	28 Å²	28	45.5 Å²	45.5	11%	0.11	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.8	170.1	-61.5	-97.3	0	0	0	109.1	I87 V92 W101 W105 Q110 E111 P140	I87-Y143 PolarHBondContact N-O 2.86Å; I87-Y143 PolarHBondContact O-N 3.3Å; V92-Y143 HydrophobicContact CB-CE2 4.46Å; V92-Y143 HydrophobicContact CG2-CD2 3.47Å; V92-Y143 VanDerWaalsContact CG2-CD2 3.47Å; V92-Y143 HydrophobicContact CG2-CE2 3.72Å; V92-Y143 HydrophobicContact CG2-CG 4.21Å; W101-Y143 AromaticContact CH2-CD1 3.65Å; W101-Y143 HydrophobicContact CH2-CD1 3.65Å; W101-Y143 HydrophobicContact CH2-CD2 4.2Å; W101-Y143 AromaticContact CH2-CE1 3.93Å; W101-Y143 HydrophobicContact CH2-CE1 3.93Å; W101-Y143 HydrophobicContact CH2-CE2 4.46Å; W101-Y143 AromaticContact CH2-CG 3.79Å; W101-Y143 HydrophobicContact CH2-CG 3.79Å; W101-Y143 HydrophobicContact CZ2-CD1 4.01Å; W101-Y143 AromaticContact CZ2-CE1 3.8Å; W101-Y143 HydrophobicContact CZ2-CE1 3.8Å; W101-Y143 HydrophobicContact CZ2-CG 4.47Å; W105-Y143 HydrophobicContact CE3-CD1 4.39Å; W105-Y143 HydrophobicContact CE3-CE1 4.32Å; W105-Y143 AromaticContact CZ3-CD1 3.89Å; W105-Y143 HydrophobicContact CZ3-CD1 3.89Å; W105-Y143 AromaticContact CZ3-CE1 3.74Å; W105-Y143 HydrophobicContact CZ3-CE1 3.74Å; Q110-Y143 CarbonylContact O-C 3.59Å; Q110-Y143 VanDerWaalsContact O-CA 3.3Å; Q110-Y143 WeakPolarHBondContact O-CA 3.31Å; E111-Y143 HydrophobicContact CG-CD1 3.86Å; E111-Y143 HydrophobicContact CG-CE1 3.55Å; P140-Y143 HydrophobicContact CB-CE2 4.43Å; P140-Y143 WeakPolarHBondContact CD-OH 3.49Å; P140-Y143 HydrophobicContact CG-CE1 4.31Å; P140-Y143 HydrophobicContact CG-CE2 4.41Å; P140-Y143 WeakPolarHBondContact CG-OH 3.44Å
144	I	95.3	Very high	88.2	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.6	173.9	-49.8	-51.4	0	0	0	108.5	V84 C85 A86 Q110 V112 L257 P258 L259	V84-I144 HydrophobicContact CB-CG2 3.87Å; V84-I144 HydrophobicContact CG1-CG2 4.48Å; V84-I144 HydrophobicContact CG2-CG2 3.65Å; C85-I144 WeakPolarHBondContact O-CA 3.33Å; A86-I144 HydrophobicContact CB-CD1 3.79Å; Q110-I144 HydrophobicContact CB-CB 4.5Å; Q110-I144 PolarHBondContact N-O 2.86Å; Q110-I144 PolarHBondContact O-N 3.08Å; V112-I144 HydrophobicContact CG2-CD1 3.65Å; V112-I144 HydrophobicContact CG2-CG1 3.57Å; I144-L257 HydrophobicContact CD1-CB 3.98Å; I144-L257 HydrophobicContact CD1-CD1 4.32Å; I144-L257 HydrophobicContact CD1-CD2 4.34Å; I144-L257 HydrophobicContact CD1-CG 4.45Å; I144-L257 HydrophobicContact CG1-CB 4.09Å; I144-L257 HydrophobicContact CG2-CB 4.33Å; I144-P258 VanDerWaalsContact CB-O 3.3Å; I144-P258 WeakPolarHBondContact CB-O 3.43Å; I144-P258 HydrophobicContact CG1-CG 4.38Å; I144-P258 VanDerWaalsContact CG1-O 3.28Å; I144-P258 WeakPolarHBondContact CG1-O 3.4Å; I144-L259 HydrophobicContact CG2-CD2 3.58Å
145	I	95.8	Very high	89.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.3	-171.2	-54.6	172.6	0	0	0	109.4	V84 C85 I87 W101 V104 A109 V149 I150	V84-I145 CarbonylContact C-O 3.56Å; V84-I145 VanDerWaalsContact CA-O 3.31Å; V84-I145 WeakPolarHBondContact CA-O 3.29Å; C85-I145 PolarHBondContact N-O 3.42Å; C85-I145 PolarHBondContact O-N 3.18Å; I87-I145 HydrophobicContact CB-CD1 4.01Å; I87-I145 HydrophobicContact CG1-CB 4.25Å; I87-I145 HydrophobicContact CG1-CD1 3.83Å; I87-I145 HydrophobicContact CG1-CG1 4.28Å; I87-I145 HydrophobicContact CG2-CD1 4.48Å; W101-I145 HydrophobicContact CH2-CD1 4.2Å; W101-I145 HydrophobicContact CZ3-CD1 3.76Å; V104-I145 HydrophobicContact CG1-CD1 3.71Å; V104-I145 HydrophobicContact CG1-CG1 4.41Å; V104-I145 HydrophobicContact CG1-CG2 3.75Å; A109-I145 HydrophobicContact CB-CD1 4.15Å; A109-I145 HydrophobicContact CB-CG1 3.79Å; I145-V149 HydrophobicContact CG2-CB 4.22Å; I145-V149 HydrophobicContact CG2-CG1 4.15Å; I145-I150 HydrophobicContact CB-CD1 4.21Å; I145-I150 HydrophobicContact CB-CG1 4.35Å; I145-I150 HydrophobicContact CG2-CD1 3.98Å; I145-I150 HydrophobicContact CG2-CG1 3.57Å
146	E	94.7	Very high	90.7	Very high	3 Å²	3	40 Å²	40	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138	176.2	-55.8	179.5	120.7	0	0	111.3	Y80 S81 V84 R108 E148 V149 I150	Y80-E146 WeakPolarHBondContact CA-OE1 3.26Å; S81-E146 PolarHBondContact N-OE1 3.35Å; V84-E146 HydrophobicContact CG1-CG 4.09Å; R108-E146 IonicContact CZ-OE1 3.85Å; R108-E146 IonicContact CZ-OE2 3.25Å; R108-E146 VanDerWaalsContact CZ-OE2 3.25Å; R108-E146 IonicContact NE-OE1 3.81Å; R108-E146 IonicContact NE-OE2 2.91Å; R108-E146 PolarHBondContact NE-OE2 2.84Å; R108-E146 IonicContact NH2-OE1 3.41Å; R108-E146 PolarHBondContact NH2-OE1 3.45Å; R108-E146 IonicContact NH2-OE2 2.74Å; R108-E146 PolarHBondContact NH2-OE2 3.22Å; E146-E148 PolarHBondContact O-N 3.47Å; E146-V149 HydrophobicContact CB-CB 4.4Å; E146-V149 HydrophobicContact CB-CG2 4.03Å; E146-V149 WeakPolarHBondContact O-CB 3.44Å; E146-V149 PolarHBondContact O-N 2.81Å; E146-I150 PolarHBondContact O-N 3.47Å
147	N	94	Very high	92	Very high	34 Å²	34	37.3 Å²	37.3	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-37.1	179.6	-67	8.8	0	0	0	112	M41 F83 C85 V149 I150 L151	M41-N147 HydrophobicContact CE-CB 4.4Å; M41-N147 HydrophobicContact SD-CB 4.15Å; F83-N147 PolarHBondContact O-N 3.15Å; F83-N147 PolarHBondContact O-OD1 3.03Å; C85-N147 PolarHBondContact SG-OD1 3.46Å; N147-V149 VanDerWaalsContact C-N 3.34Å; N147-V149 PolarHBondContact O-N 3.33Å; N147-I150 PolarHBondContact O-N 3.28Å; N147-L151 WeakPolarHBondContact O-CB 3.4Å; N147-L151 WeakPolarHBondContact O-CG 3.42Å; N147-L151 PolarHBondContact O-N 2.86Å
148	E	93.5	Very high	93	Very high	70 Å²	70	31 Å²	31	33%	0.327	14%	0.14	S	C	.	.	H	α-helix	trans	-64.7	-35.8	178.5	-68.9	-159.9	139.6	0	0	112.5	K73 E146 H152	K73-E148 IonicContact NZ-OE1 2.95Å; K73-E148 PolarHBondContact NZ-OE1 2.91Å; K73-E148 IonicContact NZ-OE2 3.94Å; E146-E148 PolarHBondContact O-N 3.47Å; E148-H152 WeakPolarHBondContact O-CB 3.31Å; E148-H152 PolarHBondContact O-N 3.06Å
149	V	96.2	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-48.1	177	170.1	0	0	0	0	110	M75 V104 A107 R108 I145 E146 N147 L151 H152 S153	M75-V149 HydrophobicContact SD-CG2 4.29Å; V104-V149 HydrophobicContact CB-CG1 4.4Å; V104-V149 HydrophobicContact CG1-CG1 4.13Å; V104-V149 HydrophobicContact CG2-CG1 4.5Å; A107-V149 HydrophobicContact CB-CG1 3.75Å; A107-V149 HydrophobicContact CB-CG2 4.32Å; R108-V149 HydrophobicContact CB-CG2 4.45Å; I145-V149 HydrophobicContact CG2-CB 4.22Å; I145-V149 HydrophobicContact CG2-CG1 4.15Å; E146-V149 HydrophobicContact CB-CB 4.4Å; E146-V149 HydrophobicContact CB-CG2 4.03Å; E146-V149 WeakPolarHBondContact O-CB 3.44Å; E146-V149 PolarHBondContact O-N 2.81Å; N147-V149 VanDerWaalsContact C-N 3.34Å; N147-V149 PolarHBondContact O-N 3.33Å; V149-L151 PolarHBondContact O-N 3.36Å; V149-H152 PolarHBondContact O-N 3.27Å; V149-S153 PolarHBondContact O-N 2.79Å; V149-S153 PolarHBondContact O-OG 2.88Å; V149-S153 VanDerWaalsContact O-OG 3.13Å
150	I	96.4	Very high	93.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-48.2	178.5	-58.3	173.1	0	0	0	110.5	M41 I87 F95 I145 E146 N147 H152 S153 L154 F382	M41-I150 HydrophobicContact SD-CB 4.45Å; M41-I150 HydrophobicContact SD-CD1 4.23Å; M41-I150 HydrophobicContact SD-CG2 4.47Å; I87-I150 HydrophobicContact CD1-CD1 3.81Å; I87-I150 HydrophobicContact CG1-CD1 3.93Å; F95-I150 HydrophobicContact CE1-CG2 4.47Å; F95-I150 HydrophobicContact CE2-CD1 4.32Å; F95-I150 HydrophobicContact CE2-CG1 4.35Å; F95-I150 HydrophobicContact CE2-CG2 4.33Å; F95-I150 HydrophobicContact CZ-CD1 4.28Å; F95-I150 HydrophobicContact CZ-CG1 4.48Å; F95-I150 HydrophobicContact CZ-CG2 3.81Å; I145-I150 HydrophobicContact CB-CD1 4.21Å; I145-I150 HydrophobicContact CB-CG1 4.35Å; I145-I150 HydrophobicContact CG2-CD1 3.98Å; I145-I150 HydrophobicContact CG2-CG1 3.57Å; E146-I150 PolarHBondContact O-N 3.47Å; N147-I150 PolarHBondContact O-N 3.28Å; I150-H152 VanDerWaalsContact C-N 3.34Å; I150-H152 PolarHBondContact O-N 3.27Å; I150-S153 PolarHBondContact O-N 2.81Å; I150-L154 HydrophobicContact CG2-CD1 3.85Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CB 3.09Å; I150-L154 WeakPolarHBondContact O-CG 3.31Å; I150-L154 PolarHBondContact O-N 2.91Å; I150-F382 HydrophobicContact CG2-CZ 4.05Å
151	L	95.2	Very high	94.2	Very high	46 Å²	46	33.2 Å²	33.2	24%	0.241	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-42.3	178.7	-76.9	170.2	0	0	0	112.2	M41 C44 N147 V149 R155	M41-L151 HydrophobicContact CB-CD2 4.37Å; M41-L151 HydrophobicContact CG-CD1 4.4Å; M41-L151 HydrophobicContact CG-CD2 3.81Å; M41-L151 HydrophobicContact CG-CG 3.79Å; C44-L151 HydrophobicContact CB-CD2 4.3Å; N147-L151 WeakPolarHBondContact O-CB 3.4Å; N147-L151 WeakPolarHBondContact O-CG 3.42Å; N147-L151 PolarHBondContact O-N 2.86Å; V149-L151 PolarHBondContact O-N 3.36Å; L151-R155 WeakPolarHBondContact O-CB 2.8Å; L151-R155 WeakPolarHBondContact O-CG 3.49Å; L151-R155 PolarHBondContact O-N 3.2Å
152	H	95.2	Very high	94.6	Very high	34 Å²	34	38.2 Å²	38.2	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-51.8	176.8	177.2	101.1	0	0	0	110.8	K73 M75 E148 V149 I150 L154 R155 K156	K73-H152 PolarHBondContact O-CE1 3.07Å; K73-H152 PolarHBondContact O-ND1 2.85Å; M75-H152 HydrophobicContact CE-CB 3.96Å; M75-H152 HydrophobicContact CG-CB 4.18Å; M75-H152 HydrophobicContact SD-CB 3.93Å; E148-H152 WeakPolarHBondContact O-CB 3.31Å; E148-H152 PolarHBondContact O-N 3.06Å; V149-H152 PolarHBondContact O-N 3.27Å; I150-H152 VanDerWaalsContact C-N 3.34Å; I150-H152 PolarHBondContact O-N 3.27Å; H152-L154 VanDerWaalsContact C-N 3.34Å; H152-L154 PolarHBondContact O-N 2.88Å; H152-R155 PolarHBondContact O-N 2.67Å; H152-K156 VanDerWaalsContact O-CB 3.25Å; H152-K156 WeakPolarHBondContact O-CB 3.29Å; H152-K156 PolarHBondContact O-N 3.12Å
153	S	96.4	Very high	94.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-40.7	-178.5	-58.1	0	0	0	0	112.3	V104 V149 I150 K157	V104-S153 WeakPolarHBondContact CG2-OG 3.12Å; V149-S153 PolarHBondContact O-N 2.79Å; V149-S153 PolarHBondContact O-OG 2.88Å; V149-S153 VanDerWaalsContact O-OG 3.13Å; I150-S153 PolarHBondContact O-N 2.81Å; S153-K157 WeakPolarHBondContact O-CB 3.37Å; S153-K157 PolarHBondContact O-N 2.68Å; S153-K157 VanDerWaalsContact O-N 3.1Å
154	L	96.8	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-53.2	174.5	-73.8	169.8	0	0	0	111.7	C44 A45 C48 L98 I100 I150 H152 K156 K157 F158	C44-L154 HydrophobicContact CB-CB 3.93Å; C44-L154 HydrophobicContact CB-CD1 3.89Å; A45-L154 HydrophobicContact CB-CD1 4.11Å; A45-L154 HydrophobicContact CB-CD2 4.23Å; C48-L154 HydrophobicContact CB-CD2 3.77Å; L98-L154 HydrophobicContact CD1-CD2 3.85Å; I100-L154 HydrophobicContact CD1-CD2 3.61Å; I100-L154 HydrophobicContact CD1-CG 3.86Å; I150-L154 HydrophobicContact CG2-CD1 3.85Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CB 3.09Å; I150-L154 WeakPolarHBondContact O-CG 3.31Å; I150-L154 PolarHBondContact O-N 2.91Å; H152-L154 VanDerWaalsContact C-N 3.34Å; H152-L154 PolarHBondContact O-N 2.88Å; L154-K156 PolarHBondContact O-N 2.88Å; L154-K157 WeakPolarHBondContact O-CB 3.14Å; L154-K157 PolarHBondContact O-N 2.91Å; L154-K157 VanDerWaalsContact O-N 3.08Å; L154-F158 WeakPolarHBondContact O-CD1 3.3Å; L154-F158 PolarHBondContact O-N 3.05Å; L154-F158 VanDerWaalsContact O-N 3.09Å
155	R	95.1	Very high	95.1	Very high	57 Å²	57	40.4 Å²	40.4	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-43.9	-178.3	-76.1	-174.2	-179.7	-110.8	-5.1	112.5	G39 D65 L151 H152 K157 F158 A159 N168	G39-R155 PolarHBondContact O-NH2 3.02Å; G39-R155 VanDerWaalsContact O-NH2 3.11Å; D65-R155 IonicContact OD2-CZ 2.96Å; D65-R155 IonicContact OD2-NH1 3.85Å; D65-R155 PolarHBondContact OD2-NH1 3.01Å; D65-R155 IonicContact OD2-NH2 2.96Å; D65-R155 PolarHBondContact OD2-NH2 3.41Å; L151-R155 WeakPolarHBondContact O-CB 2.8Å; L151-R155 WeakPolarHBondContact O-CG 3.49Å; L151-R155 PolarHBondContact O-N 3.2Å; H152-R155 PolarHBondContact O-N 2.67Å; R155-K157 PolarHBondContact O-N 3.25Å; R155-F158 HydrophobicContact CB-CE1 4.32Å; R155-F158 HydrophobicContact CG-CE1 3.91Å; R155-F158 HydrophobicContact CG-CZ 3.96Å; R155-F158 PolarHBondContact O-N 2.8Å; R155-A159 WeakPolarHBondContact O-CB 3.3Å; R155-A159 PolarHBondContact O-N 2.94Å; R155-N168 PolarHBondContact NH1-OD1 2.77Å
156	K	94.3	Very high	95.1	Very high	86 Å²	86	43.3 Å²	43.3	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-55.7	-43.5	174	-179.2	-173.2	169	-157.3	0	110.6	L72 D103 H152 L154	L72-K156 HydrophobicContact CD1-CB 4.37Å; D103-K156 IonicContact OD1-NZ 3.22Å; D103-K156 IonicContact OD2-NZ 3.05Å; D103-K156 PolarHBondContact OD2-NZ 2.82Å; H152-K156 VanDerWaalsContact O-CB 3.25Å; H152-K156 WeakPolarHBondContact O-CB 3.29Å; H152-K156 PolarHBondContact O-N 3.12Å; L154-K156 PolarHBondContact O-N 2.88Å
157	K	94.9	Very high	95.2	Very high	78 Å²	78	44.3 Å²	44.3	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-44.5	-176.9	-171.3	66.3	175.2	-160.7	0	113.8	C48 T52 L98 G99 I100 S153 L154 R155	C48-K157 VanDerWaalsContact SG-CG 3.53Å; T52-K157 HydrophobicContact CG2-CG 3.92Å; L98-K157 VanDerWaalsContact O-CE 3.25Å; L98-K157 WeakPolarHBondContact O-CE 3.4Å; G99-K157 PolarHBondContact O-NZ 3.24Å; G99-K157 VanDerWaalsContact O-NZ 3.1Å; I100-K157 HydrophobicContact CG2-CB 3.61Å; I100-K157 HydrophobicContact CG2-CD 4.31Å; I100-K157 HydrophobicContact CG2-CG 3.76Å; S153-K157 WeakPolarHBondContact O-CB 3.37Å; S153-K157 PolarHBondContact O-N 2.68Å; S153-K157 VanDerWaalsContact O-N 3.1Å; L154-K157 WeakPolarHBondContact O-CB 3.14Å; L154-K157 PolarHBondContact O-N 2.91Å; L154-K157 VanDerWaalsContact O-N 3.08Å; R155-K157 PolarHBondContact O-N 3.25Å
158	F	95.1	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-91.4	-14.1	-174.6	78	-108.8	0	0	0	114.2	C44 A47 C48 F63 L154 R155 D160 S161 V164 L166	C44-F158 HydrophobicContact CB-CE1 3.94Å; A47-F158 HydrophobicContact CB-CD1 4.07Å; A47-F158 HydrophobicContact CB-CD2 4.1Å; A47-F158 HydrophobicContact CB-CE1 4.09Å; A47-F158 HydrophobicContact CB-CE2 4.1Å; A47-F158 HydrophobicContact CB-CG 4.1Å; A47-F158 HydrophobicContact CB-CZ 4.12Å; C48-F158 HydrophobicContact CB-CB 4.23Å; C48-F158 HydrophobicContact CB-CD1 4.12Å; F63-F158 HydrophobicContact CD1-CE2 4.19Å; F63-F158 HydrophobicContact CD1-CZ 4.19Å; F63-F158 HydrophobicContact CE1-CE2 4.43Å; F63-F158 AromaticContact CE1-CZ 3.98Å; F63-F158 HydrophobicContact CE1-CZ 3.98Å; F63-F158 HydrophobicContact CG-CE2 4.48Å; F63-F158 HydrophobicContact CZ-CZ 4.21Å; L154-F158 WeakPolarHBondContact O-CD1 3.3Å; L154-F158 PolarHBondContact O-N 3.05Å; L154-F158 VanDerWaalsContact O-N 3.09Å; R155-F158 HydrophobicContact CB-CE1 4.32Å; R155-F158 HydrophobicContact CG-CE1 3.91Å; R155-F158 HydrophobicContact CG-CZ 3.96Å; R155-F158 PolarHBondContact O-N 2.8Å; F158-D160 PolarHBondContact O-N 2.91Å; F158-S161 WeakPolarHBondContact CA-OG 3.46Å; F158-S161 VanDerWaalsContact O-CB 3.23Å; F158-S161 WeakPolarHBondContact O-CB 3.28Å; F158-S161 PolarHBondContact O-N 2.78Å; F158-S161 PolarHBondContact O-OG 2.96Å; F158-V164 HydrophobicContact CD2-CG1 3.99Å; F158-V164 HydrophobicContact CE2-CG1 4.44Å; F158-L166 HydrophobicContact CD2-CD1 4.2Å; F158-L166 HydrophobicContact CE2-CD1 4.02Å; F158-L166 HydrophobicContact CE2-CD2 3.71Å; F158-L166 HydrophobicContact CE2-CG 3.86Å; F158-L166 HydrophobicContact CZ-CD2 4.44Å
159	A	92.4	Very high	95.3	Very high	54 Å²	54	43.1 Å²	43.1	45%	0.446	25%	0.246	S	C	.	.	H	α-helix	trans	-57.5	-31.3	173.6	0	0	0	0	0	112.6	R155 S161	R155-A159 WeakPolarHBondContact O-CB 3.3Å; R155-A159 PolarHBondContact O-N 2.94Å; A159-S161 VanDerWaalsContact C-N 3.31Å
160	D	88	Confident	95.3	Very high	148 Å²	148	43.7 Å²	43.7	79%	0.791	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	1.8	178	-62.1	-28	0	0	0	113.2	F158 S162	F158-D160 PolarHBondContact O-N 2.91Å; D160-S162 PolarHBondContact O-N 3.36Å
161	S	95.8	Very high	95.3	Very high	17 Å²	17	46.9 Å²	46.9	12%	0.119	27%	0.269	C	S	.	.			trans	-80.2	119.8	-177.5	-60.2	0	0	0	0	111.2	G51 F158 A159 N163 V164	G51-S161 WeakPolarHBondContact CA-OG 3.3Å; G51-S161 PolarHBondContact O-OG 3.23Å; F158-S161 WeakPolarHBondContact CA-OG 3.46Å; F158-S161 VanDerWaalsContact O-CB 3.23Å; F158-S161 WeakPolarHBondContact O-CB 3.28Å; F158-S161 PolarHBondContact O-N 2.78Å; F158-S161 PolarHBondContact O-OG 2.96Å; A159-S161 VanDerWaalsContact C-N 3.31Å; S161-N163 PolarHBondContact O-N 3.3Å; S161-N163 VanDerWaalsContact O-N 3.15Å; S161-V164 PolarHBondContact O-N 3.41Å
162	S	95.5	Very high	95.4	Very high	126 Å²	126	45.1 Å²	45.1	88%	0.881	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.9	-174.7	60.1	0	0	0	0	114.7	D160	D160-S162 PolarHBondContact O-N 3.36Å
163	N	97.5	Very high	95.4	Very high	18 Å²	18	50.8 Å²	50.8	10%	0.096	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-4.1	-179.3	71	-53.9	0	0	0	113.8	A50 L56 Q59 V61 S161	A50-N163 PolarHBondContact O-ND2 3.35Å; L56-N163 PolarHBondContact O-ND2 2.84Å; Q59-N163 WeakPolarHBondContact O-CB 3.37Å; Q59-N163 PolarHBondContact O-ND2 3.31Å; V61-N163 PolarHBondContact N-O 2.95Å; S161-N163 PolarHBondContact O-N 3.3Å; S161-N163 VanDerWaalsContact O-N 3.15Å
164	V	98	Very high	95.4	Very high	10 Å²	10	54.7 Å²	54.7	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111	-178.1	-175	0	0	0	0	109.9	A47 V61 F63 F158 S161 L166	A47-V164 HydrophobicContact CB-CG1 4.45Å; V61-V164 HydrophobicContact CB-CG2 4.22Å; V61-V164 HydrophobicContact CG1-CG1 4.45Å; F63-V164 HydrophobicContact CB-CG1 4.17Å; F158-V164 HydrophobicContact CD2-CG1 3.99Å; F158-V164 HydrophobicContact CE2-CG1 4.44Å; S161-V164 PolarHBondContact O-N 3.41Å; V164-L166 HydrophobicContact CG1-CD1 4.19Å
165	T	97.1	Very high	95.5	Very high	64 Å²	64	55.2 Å²	55.2	39%	0.393	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.6	171.3	-56.8	0	0	0	0	109.6	V61 L62 F63	V61-T165 PolarHBondContact O-N 2.87Å; L62-T165 HydrophobicContact CD1-CG2 4Å; F63-T165 PolarHBondContact N-O 2.94Å
166	L	95.8	Very high	95.5	Very high	62 Å²	62	57.6 Å²	57.6	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.4	178.7	-72.6	77.9	0	0	0	110.8	F63 F158 V164	F63-L166 HydrophobicContact CD1-CG 4.31Å; F158-L166 HydrophobicContact CD2-CD1 4.2Å; F158-L166 HydrophobicContact CE2-CD1 4.02Å; F158-L166 HydrophobicContact CE2-CD2 3.71Å; F158-L166 HydrophobicContact CE2-CG 3.86Å; F158-L166 HydrophobicContact CZ-CD2 4.44Å; V164-L166 HydrophobicContact CG1-CD1 4.19Å
167	Q	95.3	Very high	95.5	Very high	25 Å²	25	55.9 Å²	55.9	12%	0.117	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	99	171.6	-152.5	172.8	-6.4	0	0	109.7	L62 F63 D65 V170 L189	L62-Q167 HydrophobicContact CD1-CB 4.18Å; F63-Q167 PolarHBondContact O-N 3.36Å; D65-Q167 PolarHBondContact N-O 2.9Å; Q167-V170 HydrophobicContact CB-CG2 4.01Å; Q167-V170 HydrophobicContact CG-CG2 3.57Å; Q167-L189 VanDerWaalsContact CD-CD1 3.47Å
168	N	95.1	Very high	95.3	Very high	45 Å²	45	53 Å²	53	24%	0.241	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	154.1	-178.4	-64	-71.4	0	0	0	110.8	D65 A67 A69 R155 V170	D65-N168 CarbonylContact O-C 3.54Å; D65-N168 VanDerWaalsContact O-CA 3.31Å; D65-N168 WeakPolarHBondContact O-CA 3.39Å; A67-N168 WeakPolarHBondContact O-CB 3.38Å; A69-N168 HydrophobicContact CB-CB 3.89Å; R155-N168 PolarHBondContact NH1-OD1 2.77Å; N168-V170 VanDerWaalsContact C-N 3.3Å
169	G	96.1	Very high	94.9	Very high	34 Å²	34	59.9 Å²	59.9	35%	0.351	34%	0.337	S	S	.	.	S	Bend	trans	75	17.8	176.3	0	0	0	0	0	114.2	D65 S66 A67	D65-G169 PolarHBondContact O-N 3.08Å; S66-G169 WeakPolarHBondContact O-CA 3.39Å; A67-G169 PolarHBondContact O-N 3.37Å
170	V	95.8	Very high	94.6	Very high	12 Å²	12	58.5 Å²	58.5	7%	0.073	33%	0.328	C	S	.	.			trans	-127.9	147.8	-178.8	-68.7	0	0	0	0	110.8	I64 D65 S66 Q167 N168 L189 D190 D191	I64-V170 HydrophobicContact CG2-CG2 4Å; D65-V170 CarbonylContact C-O 3.56Å; D65-V170 PolarHBondContact O-N 3.14Å; S66-V170 VanDerWaalsContact CA-O 3.23Å; S66-V170 WeakPolarHBondContact CA-O 3.18Å; S66-V170 PolarHBondContact N-O 2.88Å; Q167-V170 HydrophobicContact CB-CG2 4.01Å; Q167-V170 HydrophobicContact CG-CG2 3.57Å; N168-V170 VanDerWaalsContact C-N 3.3Å; V170-L189 HydrophobicContact CG2-CD1 4.35Å; V170-D190 VanDerWaalsContact CA-OD1 3.3Å; V170-D190 WeakPolarHBondContact CA-OD1 3.31Å; V170-D190 WeakPolarHBondContact CB-OD1 3.46Å; V170-D191 HydrophobicContact CG1-CB 4.44Å
171	T	96.2	Very high	94.6	Very high	67 Å²	67	54.4 Å²	54.4	41%	0.411	31%	0.306	S	S	.	.			trans	-124.8	142.6	178.3	-50	0	0	0	0	110	K173 L189 D190	T171-K173 PolarHBondContact O-N 2.95Å; T171-L189 CarbonylContact O-C 3.52Å; T171-L189 WeakPolarHBondContact O-CA 3.48Å; T171-D190 PolarHBondContact N-OD1 3.36Å; T171-D190 PolarHBondContact N-OD2 2.94Å; T171-D190 PolarHBondContact O-N 3.48Å
172	V	97	Very high	94.3	Very high	9 Å²	9	60.6 Å²	60.6	6%	0.055	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.6	171.9	-173.4	0	0	0	0	109.2	V37 I64 L174 Y175 L187 L189	V37-V172 HydrophobicContact CG1-CG2 4.07Å; V37-V172 HydrophobicContact CG2-CG2 3.96Å; I64-V172 HydrophobicContact CD1-CG2 4.14Å; I64-V172 HydrophobicContact CG2-CG2 4.39Å; V172-L174 WeakPolarHBondContact CG1-O 3.36Å; V172-Y175 HydrophobicContact CB-CE1 4.12Å; V172-Y175 HydrophobicContact CB-CE2 4.04Å; V172-Y175 HydrophobicContact CG1-CD1 4.01Å; V172-Y175 HydrophobicContact CG1-CD2 4Å; V172-Y175 HydrophobicContact CG1-CE1 3.66Å; V172-Y175 HydrophobicContact CG1-CE2 3.66Å; V172-Y175 HydrophobicContact CG1-CG 4.16Å; V172-Y175 VanDerWaalsContact CG1-CZ 3.48Å; V172-Y175 HydrophobicContact CG2-CE1 4.32Å; V172-L187 HydrophobicContact CG1-CB 4.13Å; V172-L187 HydrophobicContact CG1-CD2 4.26Å; V172-L189 HydrophobicContact CB-CD2 4.48Å; V172-L189 HydrophobicContact CG2-CD2 3.84Å
173	K	96.1	Very high	94.1	Very high	153 Å²	153	56.2 Å²	56.2	67%	0.665	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	-33.6	175.9	-79	-174.1	175.8	151.2	0	113	T171 T188 D190	T171-K173 PolarHBondContact O-N 2.95Å; K173-T188 PolarHBondContact N-O 2.94Å; K173-D190 HydrophobicContact CD-CB 3.95Å; K173-D190 HydrophobicContact CG-CB 3.9Å; K173-D190 PolarHBondContact NZ-O 3.16Å
174	L	96.7	Very high	94	Very high	83 Å²	83	57.6 Å²	57.6	44%	0.435	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.6	-175.8	-176.2	67.9	0	0	0	110.3	V172 K176 T188	V172-L174 WeakPolarHBondContact CG1-O 3.36Å; L174-K176 HydrophobicContact CD2-CG 4.31Å; L174-K176 HydrophobicContact CG-CG 4.43Å; L174-T188 PolarHBondContact N-O 3.37Å; L174-T188 PolarHBondContact O-N 3.15Å
175	Y	97	Very high	94	Very high	11 Å²	11	57.1 Å²	57.1	4%	0.043	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.8	169	-57.1	-98.6	0	0	0	108.2	V172 F177 L187 L200 S209 A210 V213	V172-Y175 HydrophobicContact CB-CE1 4.12Å; V172-Y175 HydrophobicContact CB-CE2 4.04Å; V172-Y175 HydrophobicContact CG1-CD1 4.01Å; V172-Y175 HydrophobicContact CG1-CD2 4Å; V172-Y175 HydrophobicContact CG1-CE1 3.66Å; V172-Y175 HydrophobicContact CG1-CE2 3.66Å; V172-Y175 HydrophobicContact CG1-CG 4.16Å; V172-Y175 VanDerWaalsContact CG1-CZ 3.48Å; V172-Y175 HydrophobicContact CG2-CE1 4.32Å; Y175-F177 HydrophobicContact CD1-CZ 4.28Å; Y175-F177 HydrophobicContact CG-CZ 4.4Å; Y175-L187 HydrophobicContact CD1-CD2 3.29Å; Y175-L187 HydrophobicContact CE1-CD2 3.67Å; Y175-L187 HydrophobicContact CG-CD2 4.28Å; Y175-L200 HydrophobicContact CD1-CD2 3.7Å; Y175-L200 HydrophobicContact CE1-CD1 4.39Å; Y175-L200 HydrophobicContact CE1-CD2 3.77Å; Y175-S209 PolarHBondContact OH-OG 2.91Å; Y175-S209 VanDerWaalsContact OH-OG 3.09Å; Y175-A210 HydrophobicContact CD1-CB 4.48Å; Y175-A210 HydrophobicContact CE1-CB 3.89Å; Y175-A210 HydrophobicContact CE2-CB 4.39Å; Y175-V213 HydrophobicContact CD2-CB 4.44Å; Y175-V213 HydrophobicContact CD2-CG2 4.13Å
176	K	95.5	Very high	94	Very high	107 Å²	107	56 Å²	56	47%	0.465	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.3	165.5	-59.9	178.2	-169	153.3	0	108.7	L174 V185 E186	L174-K176 HydrophobicContact CD2-CG 4.31Å; L174-K176 HydrophobicContact CG-CG 4.43Å; K176-V185 WeakPolarHBondContact O-CG2 3.5Å; K176-E186 HydrophobicContact CB-CB 4.24Å; K176-E186 PolarHBondContact N-O 3.28Å; K176-E186 IonicContact NZ-OE1 3.59Å; K176-E186 PolarHBondContact NZ-OE1 3.19Å; K176-E186 PolarHBondContact O-N 3.28Å
177	F	93.9	Very high	94.1	Very high	50 Å²	50	53.1 Å²	53.1	22%	0.219	29%	0.294	C	S	.	.			trans	-89.6	140.6	174.5	-61.5	-75.6	0	0	0	109.5	Y175 V185 L200 V213 M214 D358	Y175-F177 HydrophobicContact CD1-CZ 4.28Å; Y175-F177 HydrophobicContact CG-CZ 4.4Å; F177-V185 HydrophobicContact CD1-CB 4.25Å; F177-V185 HydrophobicContact CD1-CG2 3.61Å; F177-V185 HydrophobicContact CE1-CB 4.43Å; F177-V185 HydrophobicContact CE1-CG2 3.54Å; F177-V185 HydrophobicContact CG-CG2 4.45Å; F177-V185 HydrophobicContact CZ-CG2 4.37Å; F177-L200 HydrophobicContact CE1-CD2 3.78Å; F177-L200 HydrophobicContact CZ-CD2 3.82Å; F177-V213 HydrophobicContact CD2-CG1 4.23Å; F177-V213 HydrophobicContact CE2-CB 4.17Å; F177-V213 HydrophobicContact CE2-CG1 3.87Å; F177-M214 HydrophobicContact CE1-CG 4.15Å; F177-M214 HydrophobicContact CE2-CG 3.76Å; F177-M214 HydrophobicContact CZ-CG 3.51Å; F177-D358 WeakPolarHBondContact CD1-O 3.42Å
178	P	92.2	Very high	94.1	Very high	18 Å²	18	53.5 Å²	53.5	12%	0.117	30%	0.298	C	S	.	.			trans	-72.1	162.6	170.2	34.2	-36.7	0	0	0	110.2	G180 G183 R359	P178-G180 PolarHBondContact O-N 3.42Å; P178-G183 WeakPolarHBondContact CG-O 3.39Å; P178-R359 HydrophobicContact CG-CG 4.27Å
179	D	85.9	Confident	94.2	Very high	145 Å²	145	51.4 Å²	51.4	78%	0.775	29%	0.287	S	S	*	.	S	Bend	trans	-73.9	109	166.2	-65.8	-34.7	0	0	0	109	L181	D179-L181 PolarHBondContact O-N 2.95Å
180	G	86	Confident	94.2	Very high	25 Å²	25	52.4 Å²	52.4	26%	0.258	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	-126.6	-177	0	0	0	0	0	113	P178 D358	P178-G180 PolarHBondContact O-N 3.42Å; G180-D358 VanDerWaalsContact CA-CG 3.46Å; G180-D358 WeakPolarHBondContact CA-OD2 3.44Å; G180-D358 PolarHBondContact N-OD2 3.2Å
181	L	88.4	Confident	94.1	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.325	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.6	-178.1	-62.3	179.3	0	0	0	113.4	D179 G183 R359 A403	D179-L181 PolarHBondContact O-N 2.95Å; L181-G183 VanDerWaalsContact C-N 3.34Å; L181-G183 PolarHBondContact O-N 2.77Å; L181-R359 HydrophobicContact CD2-CG 4.03Å; L181-R359 PolarHBondContact O-NE 3.38Å; L181-R359 PolarHBondContact O-NH2 2.89Å; L181-A403 HydrophobicContact CD2-CB 4.27Å
182	N	88.3	Confident	94	Very high	147 Å²	147	55.1 Å²	55.1	79%	0.786	31%	0.309	S	S	*	.	S	Bend	trans	-83.2	69	-170	-65.8	-38.9	0	0	0	113.3
183	G	92.4	Very high	93.9	Very high	33 Å²	33	58.2 Å²	58.2	34%	0.34	32%	0.323	S	S	.	.	S	Bend	trans	115.4	171.8	-179.7	0	0	0	0	0	112.3	P178 L181 R359	P178-G183 WeakPolarHBondContact CG-O 3.39Å; L181-G183 VanDerWaalsContact C-N 3.34Å; L181-G183 PolarHBondContact O-N 2.77Å; G183-R359 WeakPolarHBondContact O-CD 3.35Å; G183-R359 PolarHBondContact O-NE 2.76Å
184	P	95.7	Very high	94	Very high	47 Å²	47	53.4 Å²	53.4	31%	0.305	31%	0.306	S	S	.	.			trans	-79.3	164.2	-178.2	32.6	-34.6	0	0	0	112.5	Q196 A197	P184-Q196 HydrophobicContact CB-CB 3.95Å; P184-Q196 HydrophobicContact CB-CG 4.45Å; P184-Q196 HydrophobicContact CG-CB 3.74Å; P184-Q196 HydrophobicContact CG-CG 3.82Å; P184-A197 CarbonylContact C-O 3.37Å; P184-A197 WeakPolarHBondContact CA-O 3.49Å; P184-A197 WeakPolarHBondContact CB-O 3.49Å
185	V	96.8	Very high	94	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.4	159.7	60.6	0	0	0	0	109.1	K176 F177 L187 Q196 A197 L200	K176-V185 WeakPolarHBondContact O-CG2 3.5Å; F177-V185 HydrophobicContact CD1-CB 4.25Å; F177-V185 HydrophobicContact CD1-CG2 3.61Å; F177-V185 HydrophobicContact CE1-CB 4.43Å; F177-V185 HydrophobicContact CE1-CG2 3.54Å; F177-V185 HydrophobicContact CG-CG2 4.45Å; F177-V185 HydrophobicContact CZ-CG2 4.37Å; V185-L187 HydrophobicContact CG2-CD2 4.05Å; V185-Q196 CarbonylContact O-C 3.54Å; V185-Q196 WeakPolarHBondContact O-CA 3.45Å; V185-A197 HydrophobicContact CG1-CB 3.9Å; V185-A197 WeakPolarHBondContact CG1-O 3.4Å; V185-A197 PolarHBondContact N-O 2.83Å; V185-A197 PolarHBondContact O-N 2.81Å; V185-L200 HydrophobicContact CG1-CB 3.89Å
186	E	97.3	Very high	94	Very high	42 Å²	42	51.2 Å²	51.2	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.9	175.5	-175	179	104.9	0	0	110.1	K176 V194 I195 Q196	K176-E186 HydrophobicContact CB-CB 4.24Å; K176-E186 PolarHBondContact N-O 3.28Å; K176-E186 IonicContact NZ-OE1 3.59Å; K176-E186 PolarHBondContact NZ-OE1 3.19Å; K176-E186 PolarHBondContact O-N 3.28Å; E186-V194 HydrophobicContact CG-CG1 3.45Å; E186-V194 VanDerWaalsContact CG-CG1 3.45Å; E186-I195 CarbonylContact C-O 3.59Å; E186-I195 WeakPolarHBondContact CA-O 3.39Å; E186-Q196 HydrophobicContact CB-CG 4.49Å; E186-Q196 HydrophobicContact CG-CG 4.48Å
187	L	97.5	Very high	94.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.9	178.1	-49.2	177.4	0	0	0	108.6	A35 V37 I64 V172 Y175 V185 V194 I195 L200	A35-L187 HydrophobicContact CB-CD1 3.71Å; V37-L187 HydrophobicContact CG2-CD1 4.36Å; I64-L187 HydrophobicContact CD1-CD1 3.95Å; V172-L187 HydrophobicContact CG1-CB 4.13Å; V172-L187 HydrophobicContact CG1-CD2 4.26Å; Y175-L187 HydrophobicContact CD1-CD2 3.29Å; Y175-L187 HydrophobicContact CE1-CD2 3.67Å; Y175-L187 HydrophobicContact CG-CD2 4.28Å; V185-L187 HydrophobicContact CG2-CD2 4.05Å; L187-V194 WeakPolarHBondContact O-CA 3.45Å; L187-I195 HydrophobicContact CB-CB 4.34Å; L187-I195 PolarHBondContact N-O 3.11Å; L187-I195 PolarHBondContact O-N 3.25Å; L187-L200 HydrophobicContact CD1-CD1 4.29Å; L187-L200 HydrophobicContact CD2-CD1 4.26Å; L187-L200 HydrophobicContact CD2-CD2 4.44Å
188	T	97.3	Very high	94.3	Very high	33 Å²	33	48 Å²	48	20%	0.202	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.1	169.2	-50.8	0	0	0	0	109.2	K173 L174 V194	K173-T188 PolarHBondContact N-O 2.94Å; L174-T188 PolarHBondContact N-O 3.37Å; L174-T188 PolarHBondContact O-N 3.15Å; T188-V194 HydrophobicContact CG2-CG2 4.44Å
189	L	96.8	Very high	94.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	163.2	179.9	-53.7	-172.1	0	0	0	111.4	I64 Q167 V170 T171 V172 D191 G192 Q193 I195	I64-L189 HydrophobicContact CD1-CD2 3.94Å; Q167-L189 VanDerWaalsContact CD-CD1 3.47Å; V170-L189 HydrophobicContact CG2-CD1 4.35Å; T171-L189 CarbonylContact O-C 3.52Å; T171-L189 WeakPolarHBondContact O-CA 3.48Å; V172-L189 HydrophobicContact CB-CD2 4.48Å; V172-L189 HydrophobicContact CG2-CD2 3.84Å; L189-D191 VanDerWaalsContact C-N 3.26Å; L189-D191 VanDerWaalsContact CB-OD1 3.28Å; L189-D191 WeakPolarHBondContact CB-OD1 3.12Å; L189-D191 PolarHBondContact O-N 3.16Å; L189-G192 PolarHBondContact O-N 2.84Å; L189-G192 VanDerWaalsContact O-N 3.07Å; L189-Q193 HydrophobicContact CB-CB 4.41Å; L189-Q193 HydrophobicContact CD1-CB 4.16Å; L189-Q193 HydrophobicContact CG-CB 4.41Å; L189-Q193 PolarHBondContact N-O 3.45Å; L189-I195 HydrophobicContact CD1-CG1 4.11Å; L189-I195 HydrophobicContact CG-CG1 4.33Å
190	D	95.7	Very high	95.2	Very high	56 Å²	56	40.2 Å²	40.2	30%	0.299	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.3	-178.5	57.3	-7.4	0	0	0	114.7	V170 T171 K173 G192	V170-D190 VanDerWaalsContact CA-OD1 3.3Å; V170-D190 WeakPolarHBondContact CA-OD1 3.31Å; V170-D190 WeakPolarHBondContact CB-OD1 3.46Å; T171-D190 PolarHBondContact N-OD1 3.36Å; T171-D190 PolarHBondContact N-OD2 2.94Å; T171-D190 PolarHBondContact O-N 3.48Å; K173-D190 HydrophobicContact CD-CB 3.95Å; K173-D190 HydrophobicContact CG-CB 3.9Å; K173-D190 PolarHBondContact NZ-O 3.16Å; D190-G192 VanDerWaalsContact C-N 3.27Å
191	D	94.2	Very high	95.8	Very high	82 Å²	82	39 Å²	39	44%	0.439	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.4	170.6	72.1	-3.7	0	0	0	113.9	V170 L189 Q193	V170-D191 HydrophobicContact CG1-CB 4.44Å; L189-D191 VanDerWaalsContact C-N 3.26Å; L189-D191 VanDerWaalsContact CB-OD1 3.28Å; L189-D191 WeakPolarHBondContact CB-OD1 3.12Å; L189-D191 PolarHBondContact O-N 3.16Å; D191-Q193 WeakPolarHBondContact OD1-CB 3.49Å; D191-Q193 WeakPolarHBondContact OD1-CG 3.33Å; D191-Q193 PolarHBondContact OD1-N 2.78Å; D191-Q193 PolarHBondContact OD2-NE2 3.41Å
192	G	93.8	Very high	96.2	Very high	54 Å²	54	36 Å²	36	56%	0.557	21%	0.207	S	C	*	.	S	Bend	trans	91.6	-2.8	178.5	0	0	0	0	0	115.1	L189 D190	L189-G192 PolarHBondContact O-N 2.84Å; L189-G192 VanDerWaalsContact O-N 3.07Å; D190-G192 VanDerWaalsContact C-N 3.27Å
193	Q	95.4	Very high	96.7	Very high	73 Å²	73	29.6 Å²	29.6	34%	0.341	17%	0.174	S	C	.	.			trans	-66.2	144.7	173.8	-66.7	-177.4	20	0	0	111.4	L189 D191	L189-Q193 HydrophobicContact CB-CB 4.41Å; L189-Q193 HydrophobicContact CD1-CB 4.16Å; L189-Q193 HydrophobicContact CG-CB 4.41Å; L189-Q193 PolarHBondContact N-O 3.45Å; D191-Q193 WeakPolarHBondContact OD1-CB 3.49Å; D191-Q193 WeakPolarHBondContact OD1-CG 3.33Å; D191-Q193 PolarHBondContact OD1-N 2.78Å; D191-Q193 PolarHBondContact OD2-NE2 3.41Å
194	V	96.5	Very high	96.8	Very high	53 Å²	53	30 Å²	30	32%	0.321	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.5	174.3	-177.7	0	0	0	0	108.8	P29 Q30 E186 L187 T188	P29-V194 WeakPolarHBondContact CA-O 3.44Å; P29-V194 HydrophobicContact CB-CG1 4.39Å; Q30-V194 PolarHBondContact N-O 2.8Å; E186-V194 HydrophobicContact CG-CG1 3.45Å; E186-V194 VanDerWaalsContact CG-CG1 3.45Å; L187-V194 WeakPolarHBondContact O-CA 3.45Å; T188-V194 HydrophobicContact CG2-CG2 4.44Å
195	I	97.2	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.9	-179.6	-52.2	-64	0	0	0	108.8	Q30 Y32 L62 E186 L187 L189	Q30-I195 HydrophobicContact CB-CD1 3.83Å; Q30-I195 HydrophobicContact CG-CD1 4.37Å; Y32-I195 HydrophobicContact CD2-CG2 3.77Å; Y32-I195 HydrophobicContact CE2-CG2 4.22Å; L62-I195 HydrophobicContact CD2-CB 4.31Å; L62-I195 HydrophobicContact CD2-CD1 4.13Å; L62-I195 HydrophobicContact CD2-CG1 3.9Å; L62-I195 HydrophobicContact CD2-CG2 3.63Å; E186-I195 CarbonylContact C-O 3.59Å; E186-I195 WeakPolarHBondContact CA-O 3.39Å; L187-I195 HydrophobicContact CB-CB 4.34Å; L187-I195 PolarHBondContact N-O 3.11Å; L187-I195 PolarHBondContact O-N 3.25Å; L189-I195 HydrophobicContact CD1-CG1 4.11Å; L189-I195 HydrophobicContact CG-CG1 4.33Å
196	Q	97.7	Very high	96.3	Very high	47 Å²	47	32.1 Å²	32.1	22%	0.22	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.3	169.2	-74.8	-178.4	-14.6	0	0	110.5	P29 Q30 C31 Y32 P184 V185 E186	P29-Q196 HydrophobicContact CB-CG 3.93Å; P29-Q196 HydrophobicContact CG-CG 4.18Å; Q30-Q196 PolarHBondContact O-N 3.32Å; C31-Q196 CarbonylContact C-O 3.48Å; C31-Q196 WeakPolarHBondContact CA-O 3.34Å; Y32-Q196 PolarHBondContact N-O 2.8Å; P184-Q196 HydrophobicContact CB-CB 3.95Å; P184-Q196 HydrophobicContact CB-CG 4.45Å; P184-Q196 HydrophobicContact CG-CB 3.74Å; P184-Q196 HydrophobicContact CG-CG 3.82Å; V185-Q196 CarbonylContact O-C 3.54Å; V185-Q196 WeakPolarHBondContact O-CA 3.45Å; E186-Q196 HydrophobicContact CB-CG 4.49Å; E186-Q196 HydrophobicContact CG-CG 4.48Å
197	A	97.9	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.2	175.7	0	0	0	0	0	112.7	Y32 A35 P184 V185	Y32-A197 VanDerWaalsContact O-CA 3.24Å; Y32-A197 WeakPolarHBondContact O-CA 3.31Å; A35-A197 HydrophobicContact CB-CB 3.56Å; P184-A197 CarbonylContact C-O 3.37Å; P184-A197 WeakPolarHBondContact CA-O 3.49Å; P184-A197 WeakPolarHBondContact CB-O 3.49Å; V185-A197 HydrophobicContact CG1-CB 3.9Å; V185-A197 WeakPolarHBondContact CG1-O 3.4Å; V185-A197 PolarHBondContact N-O 2.83Å; V185-A197 PolarHBondContact O-N 2.81Å
198	R	97.4	Very high	95.8	Very high	89 Å²	89	37.5 Å²	37.5	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-29.3	174.9	-66.1	173.3	59.1	-168.4	-1.2	112.5	Y32 D33 R359 D401 I402 A403	Y32-R198 PolarHBondContact O-N 2.61Å; Y32-R198 VanDerWaalsContact O-N 3.15Å; D33-R198 CarbonylContact O-C 3.33Å; D33-R198 WeakPolarHBondContact O-CA 3.37Å; D33-R198 WeakPolarHBondContact O-CB 3.47Å; D33-R198 PolarHBondContact O-N 3.32Å; D33-R198 VanDerWaalsContact O-N 3.09Å; D33-R198 WeakPolarHBondContact OD1-CD 3.45Å; D33-R198 IonicContact OD1-NH1 2.82Å; D33-R198 PolarHBondContact OD1-NH1 2.81Å; R198-R359 WeakPolarHBondContact O-CB 3.38Å; R198-R359 VanDerWaalsContact O-CD 3.27Å; R198-R359 WeakPolarHBondContact O-CD 3.44Å; R198-R359 WeakPolarHBondContact O-CG 3.43Å; R198-R359 PolarHBondContact O-NH1 2.99Å; R198-D401 IonicContact CZ-OD1 2.68Å; R198-D401 IonicContact NE-OD1 3.24Å; R198-D401 IonicContact NH2-OD1 3.79Å; R198-D401 PolarHBondContact NH2-OD1 2.87Å; R198-I402 HydrophobicContact CB-CD1 4.31Å; R198-I402 HydrophobicContact CB-CG1 4.49Å; R198-A403 WeakPolarHBondContact O-CB 3.39Å
199	L	98.2	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128	174.8	176.1	64.5	0	0	0	110.5	D33 I34 A35 I201 R359 V361 L392 I402 A403 L408	D33-L199 PolarHBondContact O-N 2.82Å; I34-L199 CarbonylContact C-O 3.56Å; I34-L199 WeakPolarHBondContact CA-O 3.24Å; A35-L199 PolarHBondContact N-O 2.84Å; L199-I201 HydrophobicContact CD2-CD1 4.43Å; L199-I201 HydrophobicContact CD2-CG1 4.2Å; L199-I201 HydrophobicContact CG-CG1 4.24Å; L199-R359 WeakPolarHBondContact CA-O 3.21Å; L199-V361 HydrophobicContact CD1-CG1 4.25Å; L199-L392 HydrophobicContact CD2-CD1 4.15Å; L199-L392 HydrophobicContact CD2-CD2 3.65Å; L199-I402 HydrophobicContact CB-CD1 3.94Å; L199-I402 HydrophobicContact CB-CG1 4.24Å; L199-A403 HydrophobicContact CB-CB 4.42Å; L199-A403 HydrophobicContact CD1-CB 4.34Å; L199-L408 HydrophobicContact CD1-CD1 4.15Å; L199-L408 HydrophobicContact CD1-CD2 4.36Å
200	L	98.2	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.2	166.6	174.4	65.8	0	0	0	110.2	A35 V37 Y175 F177 V185 L187 A210 R359 S360 V361	A35-L200 HydrophobicContact CB-CD1 4.39Å; A35-L200 CarbonylContact O-C 3.54Å; A35-L200 WeakPolarHBondContact O-CA 3.36Å; V37-L200 HydrophobicContact CB-CD1 4.32Å; V37-L200 HydrophobicContact CG2-CD1 3.52Å; Y175-L200 HydrophobicContact CD1-CD2 3.7Å; Y175-L200 HydrophobicContact CE1-CD1 4.39Å; Y175-L200 HydrophobicContact CE1-CD2 3.77Å; F177-L200 HydrophobicContact CE1-CD2 3.78Å; F177-L200 HydrophobicContact CZ-CD2 3.82Å; V185-L200 HydrophobicContact CG1-CB 3.89Å; L187-L200 HydrophobicContact CD1-CD1 4.29Å; L187-L200 HydrophobicContact CD2-CD1 4.26Å; L187-L200 HydrophobicContact CD2-CD2 4.44Å; L200-A210 HydrophobicContact CD2-CB 4.22Å; L200-R359 PolarHBondContact N-O 2.83Å; L200-S360 CarbonylContact O-C 3.57Å; L200-S360 VanDerWaalsContact O-CA 3.28Å; L200-S360 WeakPolarHBondContact O-CA 3.5Å; L200-V361 PolarHBondContact O-N 3.25Å
201	I	98.7	Very high	95.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	106.9	167.2	-54.2	177	0	0	0	107.9	I34 A35 I36 V37 M46 L199 V361 V363 L388 L392	I34-I201 HydrophobicContact CG2-CD1 3.59Å; I34-I201 HydrophobicContact CG2-CG1 3.98Å; A35-I201 PolarHBondContact O-N 3.36Å; I36-I201 WeakPolarHBondContact CA-O 3Å; I36-I201 HydrophobicContact CG1-CB 4.28Å; I36-I201 HydrophobicContact CG1-CD1 4.28Å; V37-I201 PolarHBondContact N-O 3.44Å; M46-I201 HydrophobicContact CE-CD1 3.84Å; M46-I201 HydrophobicContact CG-CD1 3.77Å; M46-I201 HydrophobicContact CG-CG2 4.18Å; M46-I201 HydrophobicContact SD-CD1 3.95Å; L199-I201 HydrophobicContact CD2-CD1 4.43Å; L199-I201 HydrophobicContact CD2-CG1 4.2Å; L199-I201 HydrophobicContact CG-CG1 4.24Å; I201-V361 HydrophobicContact CB-CG1 4.14Å; I201-V361 HydrophobicContact CG1-CG1 3.73Å; I201-V361 HydrophobicContact CG2-CG1 4.15Å; I201-V363 HydrophobicContact CG2-CG1 4.14Å; I201-V363 HydrophobicContact CG2-CG2 3.85Å; I201-L388 HydrophobicContact CD1-CD2 3.92Å; I201-L388 HydrophobicContact CG1-CD2 4.23Å; I201-L388 HydrophobicContact CG2-CD2 4.01Å; I201-L392 HydrophobicContact CD1-CD1 4.32Å
202	A	98.2	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.9	179.1	0	0	0	0	0	110.8	A210 V361 L362 V363 A366	A202-A210 HydrophobicContact CB-CB 3.47Å; A202-A210 VanDerWaalsContact CB-CB 3.47Å; A202-V361 PolarHBondContact N-O 3.33Å; A202-L362 HydrophobicContact CB-CD2 3.85Å; A202-V363 WeakPolarHBondContact O-CG2 3.35Å; A202-V363 PolarHBondContact O-N 2.8Å; A202-A366 WeakPolarHBondContact O-CB 3.31Å
203	A	97.8	Very high	95.5	Very high	11 Å²	11	40.7 Å²	40.7	9%	0.091	20%	0.203	C	C	.	.			trans	-121.3	30.5	177.5	0	0	0	0	0	110.9	V37 G205 V363	V37-A203 CarbonylContact O-C 3.54Å; V37-A203 VanDerWaalsContact O-C 3.23Å; V37-A203 WeakPolarHBondContact O-CA 3.38Å; V37-A203 PolarHBondContact O-N 2.89Å; A203-G205 VanDerWaalsContact C-N 3.26Å; A203-G205 PolarHBondContact O-N 3.27Å; A203-V363 HydrophobicContact CB-CG2 3.56Å
204	D	95.5	Very high	95.4	Very high	41 Å²	41	38 Å²	38	22%	0.219	19%	0.191	C	C	.	.			trans	-86.9	16.7	-172.1	64.3	-26.8	0	0	0	114	V37 S208 S209 A210	V37-D204 HydrophobicContact CG1-CB 4.35Å; V37-D204 PolarHBondContact O-N 3.48Å; D204-S208 WeakPolarHBondContact OD1-CA 3.45Å; D204-S208 WeakPolarHBondContact OD1-CB 3.46Å; D204-S208 PolarHBondContact OD1-OG 3.23Å; D204-S208 VanDerWaalsContact OD2-CA 3.26Å; D204-S208 WeakPolarHBondContact OD2-CA 3.36Å; D204-S208 PolarHBondContact OD2-OG 3.23Å; D204-S209 PolarHBondContact OD2-N 3.36Å; D204-S209 PolarHBondContact OD2-OG 2.9Å; D204-A210 PolarHBondContact OD2-N 3.41Å
205	G	92.9	Very high	95.1	Very high	21 Å²	21	38 Å²	38	22%	0.216	20%	0.202	C	C	.	.			trans	77	-168.4	168.1	0	0	0	0	0	115.5	A203 K207 S208 D365 A366	A203-G205 VanDerWaalsContact C-N 3.26Å; A203-G205 PolarHBondContact O-N 3.27Å; G205-K207 PolarHBondContact O-N 3.23Å; G205-K207 VanDerWaalsContact O-N 3.09Å; G205-S208 WeakPolarHBondContact O-CA 3.5Å; G205-S208 VanDerWaalsContact O-CB 3.31Å; G205-S208 WeakPolarHBondContact O-CB 3.46Å; G205-S208 PolarHBondContact O-N 2.8Å; G205-D365 CarbonylContact C-O 3.59Å; G205-A366 VanDerWaalsContact O-CA 3.3Å; G205-A366 WeakPolarHBondContact O-CA 3.25Å
206	Y	87.5	Confident	94.9	Very high	71 Å²	71	38.9 Å²	38.9	28%	0.278	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.3	-167.3	76.1	-82	0	0	0	115.1	S208 R211 R220 D365	Y206-S208 VanDerWaalsContact C-N 3.35Å; Y206-R211 PolarHBondContact O-NH2 2.88Å; Y206-R220 PolarHBondContact O-NH2 2.93Å; Y206-D365 VanDerWaalsContact CA-O 3.31Å; Y206-D365 WeakPolarHBondContact CA-O 3.39Å
207	K	90.3	Very high	94.7	Very high	154 Å²	154	43.7 Å²	43.7	67%	0.67	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	37.7	171.2	-64.8	-175.7	175.4	177.1	0	111.5	G205 S209	G205-K207 PolarHBondContact O-N 3.23Å; G205-K207 VanDerWaalsContact O-N 3.09Å; K207-S209 PolarHBondContact O-N 2.89Å; K207-S209 VanDerWaalsContact O-N 3.11Å
208	S	94.7	Very high	94.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	25%	0.245	C	C	.	.			trans	-52.4	116	-177.7	178.7	0	0	0	0	112.4	D204 G205 Y206 R211	D204-S208 WeakPolarHBondContact OD1-CA 3.45Å; D204-S208 WeakPolarHBondContact OD1-CB 3.46Å; D204-S208 PolarHBondContact OD1-OG 3.23Å; D204-S208 VanDerWaalsContact OD2-CA 3.26Å; D204-S208 WeakPolarHBondContact OD2-CA 3.36Å; D204-S208 PolarHBondContact OD2-OG 3.23Å; G205-S208 WeakPolarHBondContact O-CA 3.5Å; G205-S208 VanDerWaalsContact O-CB 3.31Å; G205-S208 WeakPolarHBondContact O-CB 3.46Å; G205-S208 PolarHBondContact O-N 2.8Å; Y206-S208 VanDerWaalsContact C-N 3.35Å; S208-R211 VanDerWaalsContact OG-CB 3.3Å; S208-R211 WeakPolarHBondContact OG-CB 3.38Å; S208-R211 PolarHBondContact OG-N 2.98Å
209	S	94.2	Very high	94.4	Very high	43 Å²	43	45.8 Å²	45.8	30%	0.301	25%	0.251	S	S	.	.	H	α-helix	trans	-72.3	-40.1	173.9	59.5	0	0	0	0	110.6	Y175 D204 K207 R211 E212 V213	Y175-S209 PolarHBondContact OH-OG 2.91Å; Y175-S209 VanDerWaalsContact OH-OG 3.09Å; D204-S209 PolarHBondContact OD2-N 3.36Å; D204-S209 PolarHBondContact OD2-OG 2.9Å; K207-S209 PolarHBondContact O-N 2.89Å; K207-S209 VanDerWaalsContact O-N 3.11Å; S209-R211 PolarHBondContact O-N 3.13Å; S209-E212 PolarHBondContact O-N 3.08Å; S209-V213 WeakPolarHBondContact O-CG2 3.23Å; S209-V213 PolarHBondContact O-N 3.36Å; S209-V213 VanDerWaalsContact O-N 3.15Å
210	A	94.5	Very high	94.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-46.6	177.4	0	0	0	0	0	111	Y175 L200 A202 D204 E212 V213 M214	Y175-A210 HydrophobicContact CD1-CB 4.48Å; Y175-A210 HydrophobicContact CE1-CB 3.89Å; Y175-A210 HydrophobicContact CE2-CB 4.39Å; L200-A210 HydrophobicContact CD2-CB 4.22Å; A202-A210 HydrophobicContact CB-CB 3.47Å; A202-A210 VanDerWaalsContact CB-CB 3.47Å; D204-A210 PolarHBondContact OD2-N 3.41Å; A210-E212 VanDerWaalsContact C-N 3.3Å; A210-E212 PolarHBondContact O-N 3.09Å; A210-V213 PolarHBondContact O-N 2.94Å; A210-M214 WeakPolarHBondContact O-CB 3.41Å; A210-M214 WeakPolarHBondContact O-CG 3.49Å; A210-M214 PolarHBondContact O-N 3.28Å
211	R	95.7	Very high	93.8	Very high	13 Å²	13	53.8 Å²	53.8	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-41.9	177.5	-179.4	179.7	64.4	-146.9	-5.7	112.9	Y206 S208 S209 M214 G215 V216 V218 L362 A366	Y206-R211 PolarHBondContact O-NH2 2.88Å; S208-R211 VanDerWaalsContact OG-CB 3.3Å; S208-R211 WeakPolarHBondContact OG-CB 3.38Å; S208-R211 PolarHBondContact OG-N 2.98Å; S209-R211 PolarHBondContact O-N 3.13Å; R211-M214 PolarHBondContact O-N 3.38Å; R211-G215 PolarHBondContact O-N 2.89Å; R211-V216 HydrophobicContact CG-CB 4.08Å; R211-V216 HydrophobicContact CG-CG1 4.38Å; R211-V216 PolarHBondContact O-N 3.2Å; R211-V218 VanDerWaalsContact CD-CG1 3.42Å; R211-V218 HydrophobicContact CG-CG1 4.34Å; R211-L362 HydrophobicContact CB-CD1 4.07Å; R211-L362 HydrophobicContact CB-CD2 3.75Å; R211-L362 HydrophobicContact CG-CD1 3.73Å; R211-L362 HydrophobicContact CG-CD2 4.36Å; R211-A366 VanDerWaalsContact CD-O 3.28Å; R211-A366 WeakPolarHBondContact CD-O 3.48Å; R211-A366 PolarHBondContact NH1-O 3.13Å
212	E	94.1	Very high	93.4	Very high	161 Å²	161	56.9 Å²	56.9	75%	0.752	31%	0.305	S	S	*	.	H	α-helix	trans	-63.8	-45.4	179.6	-173	171.6	-174.4	0	0	110.8	S209 A210 G215	S209-E212 PolarHBondContact O-N 3.08Å; A210-E212 VanDerWaalsContact C-N 3.3Å; A210-E212 PolarHBondContact O-N 3.09Å; E212-G215 PolarHBondContact O-N 3.3Å
213	V	93	Very high	93	Very high	76 Å²	76	57.6 Å²	57.6	46%	0.461	31%	0.308	S	S	.	.	H	α-helix	trans	-71.9	-30	178.6	-174	0	0	0	0	112.6	Y175 F177 S209 A210 G215	Y175-V213 HydrophobicContact CD2-CB 4.44Å; Y175-V213 HydrophobicContact CD2-CG2 4.13Å; F177-V213 HydrophobicContact CD2-CG1 4.23Å; F177-V213 HydrophobicContact CE2-CB 4.17Å; F177-V213 HydrophobicContact CE2-CG1 3.87Å; S209-V213 WeakPolarHBondContact O-CG2 3.23Å; S209-V213 PolarHBondContact O-N 3.36Å; S209-V213 VanDerWaalsContact O-N 3.15Å; A210-V213 PolarHBondContact O-N 2.94Å; V213-G215 PolarHBondContact O-N 3.28Å; V213-G215 VanDerWaalsContact O-N 3.14Å
214	M	93.1	Very high	92.6	Very high	16 Å²	16	58.7 Å²	58.7	8%	0.079	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.7	172.4	-71.5	164.9	64.4	0	0	113	F177 A210 R211 V216 S360 L362	F177-M214 HydrophobicContact CE1-CG 4.15Å; F177-M214 HydrophobicContact CE2-CG 3.76Å; F177-M214 HydrophobicContact CZ-CG 3.51Å; A210-M214 WeakPolarHBondContact O-CB 3.41Å; A210-M214 WeakPolarHBondContact O-CG 3.49Å; A210-M214 PolarHBondContact O-N 3.28Å; R211-M214 PolarHBondContact O-N 3.38Å; M214-V216 HydrophobicContact CB-CG2 3.89Å; M214-V216 HydrophobicContact CE-CG2 4.12Å; M214-V216 PolarHBondContact O-N 2.84Å; M214-S360 WeakPolarHBondContact CE-OG 3.3Å; M214-L362 HydrophobicContact CE-CD1 4.32Å; M214-L362 HydrophobicContact CE-CD2 4.1Å; M214-L362 HydrophobicContact CE-CG 3.88Å; M214-L362 HydrophobicContact SD-CD2 3.67Å; M214-L362 HydrophobicContact SD-CG 4.15Å
215	G	91	Very high	92.4	Very high	54 Å²	54	57.1 Å²	57.1	56%	0.557	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	17.7	-178.7	0	0	0	0	0	113.7	R211 E212 V213 H217	R211-G215 PolarHBondContact O-N 2.89Å; E212-G215 PolarHBondContact O-N 3.3Å; V213-G215 PolarHBondContact O-N 3.28Å; V213-G215 VanDerWaalsContact O-N 3.14Å; G215-H217 PolarHBondContact O-N 2.69Å
216	V	92.6	Very high	92.5	Very high	17 Å²	17	58.2 Å²	58.2	10%	0.103	31%	0.31	C	S	.	.			trans	-77.4	121.7	-177.6	173	0	0	0	0	109.9	R211 M214 A352 H354 L362	R211-V216 HydrophobicContact CG-CB 4.08Å; R211-V216 HydrophobicContact CG-CG1 4.38Å; R211-V216 PolarHBondContact O-N 3.2Å; M214-V216 HydrophobicContact CB-CG2 3.89Å; M214-V216 HydrophobicContact CE-CG2 4.12Å; M214-V216 PolarHBondContact O-N 2.84Å; V216-A352 HydrophobicContact CG1-CB 3.84Å; V216-H354 HydrophobicContact CG1-CB 4.31Å; V216-H354 WeakPolarHBondContact CG1-O 3.16Å; V216-L362 HydrophobicContact CB-CD1 4.48Å; V216-L362 HydrophobicContact CG1-CD1 4.2Å; V216-L362 HydrophobicContact CG2-CD1 4.46Å
217	H	94	Very high	92.8	Very high	148 Å²	148	55.3 Å²	55.3	69%	0.685	30%	0.3	S	S	*	.			trans	-66.4	145.1	174.9	-65.7	-65	0	0	0	111.7	G215 T353	G215-H217 PolarHBondContact O-N 2.69Å; H217-T353 HydrophobicContact CB-CG2 4.02Å; H217-T353 PolarHBondContact O-N 3.48Å; H217-T353 PolarHBondContact O-OG1 2.8Å
218	V	93.8	Very high	93	Very high	55 Å²	55	48 Å²	48	33%	0.333	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.3	177.3	-66.4	0	0	0	0	111.2	R211 V350 H351 A352	R211-V218 VanDerWaalsContact CD-CG1 3.42Å; R211-V218 HydrophobicContact CG-CG1 4.34Å; V218-V350 HydrophobicContact CB-CG1 4.37Å; V218-V350 HydrophobicContact CG1-CG1 4.37Å; V218-H351 CarbonylContact C-O 3.48Å; V218-H351 WeakPolarHBondContact CA-O 3.44Å; V218-A352 HydrophobicContact CG1-CB 4.31Å
219	V	93.7	Very high	93	Very high	78 Å²	78	48.3 Å²	48.3	47%	0.473	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121	160.5	-178.6	0	0	0	0	107.1	F221 F349 V350 H351	V219-F221 HydrophobicContact CG1-CD1 4.44Å; V219-F221 HydrophobicContact CG1-CE1 4.39Å; V219-F349 HydrophobicContact CB-CE1 4.36Å; V219-F349 HydrophobicContact CG1-CD1 4.44Å; V219-F349 HydrophobicContact CG1-CE1 4.09Å; V219-V350 CarbonylContact O-C 3.56Å; V219-V350 WeakPolarHBondContact O-CA 3.42Å; V219-H351 PolarHBondContact N-O 2.85Å; V219-H351 PolarHBondContact O-N 3.33Å
220	R	92.4	Very high	93.1	Very high	108 Å²	108	46.2 Å²	46.2	41%	0.408	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.6	-178.8	174.9	-174.3	-66.9	-108.7	2.7	110.6	Y206 F349 V350	Y206-R220 PolarHBondContact O-NH2 2.93Å; R220-F349 VanDerWaalsContact CA-O 3.31Å; R220-F349 WeakPolarHBondContact CA-O 3.4Å; R220-V350 HydrophobicContact CG-CG2 4.15Å
221	F	92	Very high	93.1	Very high	61 Å²	61	46.4 Å²	46.4	27%	0.268	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	152.3	165.7	50.7	-90.5	0	0	0	110.6	V219 Y223 F349	V219-F221 HydrophobicContact CG1-CD1 4.44Å; V219-F221 HydrophobicContact CG1-CE1 4.39Å; F221-Y223 HydrophobicContact CD2-CE1 4.49Å; F221-Y223 HydrophobicContact CE2-CD1 4.34Å; F221-Y223 AromaticContact CE2-CE1 3.73Å; F221-Y223 HydrophobicContact CE2-CE1 3.73Å; F221-Y223 HydrophobicContact CE2-CE2 4.36Å; F221-Y223 AromaticContact CE2-CZ 3.74Å; F221-F349 HydrophobicContact CD1-CB 4.14Å; F221-F349 AromaticContact CD1-CD1 3.88Å; F221-F349 HydrophobicContact CD1-CD1 3.88Å; F221-F349 HydrophobicContact CD1-CG 4.28Å; F221-F349 HydrophobicContact CD2-CB 3.84Å; F221-F349 HydrophobicContact CE1-CB 3.81Å; F221-F349 AromaticContact CE1-CD1 3.27Å; F221-F349 HydrophobicContact CE1-CD1 3.27Å; F221-F349 HydrophobicContact CE1-CD2 4.43Å; F221-F349 AromaticContact CE1-CE1 3.89Å; F221-F349 HydrophobicContact CE1-CE1 3.89Å; F221-F349 AromaticContact CE1-CG 3.59Å; F221-F349 HydrophobicContact CE1-CG 3.59Å; F221-F349 HydrophobicContact CE2-CB 3.5Å; F221-F349 VanDerWaalsContact CE2-CB 3.5Å; F221-F349 HydrophobicContact CE2-CD1 4.5Å; F221-F349 AromaticContact CE2-CG 3.99Å; F221-F349 HydrophobicContact CE2-CG 3.99Å; F221-F349 HydrophobicContact CG-CB 4.15Å; F221-F349 HydrophobicContact CZ-CB 3.47Å; F221-F349 VanDerWaalsContact CZ-CB 3.47Å; F221-F349 AromaticContact CZ-CD1 3.64Å; F221-F349 HydrophobicContact CZ-CD1 3.64Å; F221-F349 AromaticContact CZ-CD2 3.97Å; F221-F349 HydrophobicContact CZ-CD2 3.97Å; F221-F349 HydrophobicContact CZ-CE1 4.35Å; F221-F349 AromaticContact CZ-CG 3.42Å; F221-F349 HydrophobicContact CZ-CG 3.42Å; F221-F349 VanDerWaalsContact CZ-CG 3.42Å; F221-F349 PolarHBondContact N-O 2.89Å; F221-F349 VanDerWaalsContact N-O 3.16Å; F221-F349 PolarHBondContact O-N 3.4Å
222	S	90.2	Very high	93.1	Very high	65 Å²	65	45.8 Å²	45.8	46%	0.455	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	142.9	168.8	-174.9	0	0	0	0	108.9	G224	S222-G224 PolarHBondContact O-N 3.34Å; S222-G224 PolarHBondContact OG-N 3.26Å; S222-G224 VanDerWaalsContact OG-N 3.1Å
223	Y	89	Confident	93.2	Very high	15 Å²	15	41.4 Å²	41.4	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-5.7	168.8	-72.2	-75.8	0	0	0	112.4	F221 Q225 L347 F349 H371 Y430	F221-Y223 HydrophobicContact CD2-CE1 4.49Å; F221-Y223 HydrophobicContact CE2-CD1 4.34Å; F221-Y223 AromaticContact CE2-CE1 3.73Å; F221-Y223 HydrophobicContact CE2-CE1 3.73Å; F221-Y223 HydrophobicContact CE2-CE2 4.36Å; F221-Y223 AromaticContact CE2-CZ 3.74Å; Y223-Q225 PolarHBondContact O-N 3.27Å; Y223-L347 HydrophobicContact CD2-CB 4.15Å; Y223-L347 PolarHBondContact N-O 3.42Å; Y223-F349 HydrophobicContact CE2-CB 3.82Å; Y223-H371 AromaticContact CD1-CD2 3.98Å; Y223-H371 AromaticContact CD2-CD2 3.88Å; Y223-H371 AromaticContact CE1-CD2 3.91Å; Y223-H371 HydrophobicContact CE2-CB 3.94Å; Y223-H371 AromaticContact CE2-CD2 3.82Å; Y223-H371 AromaticContact CG-CD2 3.96Å; Y223-H371 AromaticContact CZ-CD2 3.83Å; Y223-Y430 AromaticContact CD1-CD1 3.65Å; Y223-Y430 HydrophobicContact CD1-CD1 3.65Å; Y223-Y430 AromaticContact CD1-CE1 3.46Å; Y223-Y430 HydrophobicContact CD1-CE1 3.46Å; Y223-Y430 VanDerWaalsContact CD1-CE1 3.46Å; Y223-Y430 HydrophobicContact CD1-CE2 4.36Å; Y223-Y430 HydrophobicContact CD1-CG 4.19Å; Y223-Y430 AromaticContact CD1-CZ 3.82Å; Y223-Y430 AromaticContact CE1-CD1 3.64Å; Y223-Y430 HydrophobicContact CE1-CD1 3.64Å; Y223-Y430 AromaticContact CE1-CE1 3.92Å; Y223-Y430 HydrophobicContact CE1-CE1 3.92Å; Y223-Y430 HydrophobicContact CE1-CG 4.15Å; Y223-Y430 PolarHBondContact O-OH 2.75Å
224	G	90.7	Very high	93.3	Very high	34 Å²	34	38 Å²	38	35%	0.351	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.4	29.7	-173	0	0	0	0	0	111.9	S222 D271 E272	S222-G224 PolarHBondContact O-N 3.34Å; S222-G224 PolarHBondContact OG-N 3.26Å; S222-G224 VanDerWaalsContact OG-N 3.1Å; G224-D271 WeakPolarHBondContact O-CA 3.24Å; G224-E272 PolarHBondContact O-N 2.85Å
225	Q	91.7	Very high	93.3	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.7	-175.7	-72.8	-176.4	-44.4	0	0	111.4	Y223 S251 N270 L347 H371	Y223-Q225 PolarHBondContact O-N 3.27Å; Q225-S251 PolarHBondContact NE2-O 3.14Å; Q225-N270 CarbonylContact C-O 3.58Å; Q225-N270 WeakPolarHBondContact CA-O 3.01Å; Q225-N270 WeakPolarHBondContact CB-O 3.15Å; Q225-N270 WeakPolarHBondContact CG-O 3.44Å; Q225-L347 HydrophobicContact CB-CB 4.29Å; Q225-L347 HydrophobicContact CB-CD1 4.03Å; Q225-L347 HydrophobicContact CB-CG 4.32Å; Q225-L347 PolarHBondContact O-N 2.95Å; Q225-H371 PolarHBondContact OE1-NE2 3.48Å
226	K	93.9	Very high	93	Very high	43 Å²	43	44.1 Å²	44.1	19%	0.187	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.6	166.4	-72.4	166.4	-177.3	171.4	0	108.7	A269 N270 E272 A275 D276 I345	K226-A269 WeakPolarHBondContact O-CA 3.44Å; K226-N270 PolarHBondContact N-O 3.02Å; K226-N270 PolarHBondContact O-N 3.31Å; K226-E272 HydrophobicContact CD-CB 4.45Å; K226-E272 HydrophobicContact CD-CG 4.39Å; K226-E272 HydrophobicContact CG-CG 4.25Å; K226-A275 HydrophobicContact CB-CB 3.62Å; K226-A275 HydrophobicContact CD-CB 4.24Å; K226-D276 IonicContact NZ-OD1 2.65Å; K226-D276 PolarHBondContact NZ-OD1 3.04Å; K226-D276 IonicContact NZ-OD2 2.75Å; K226-D276 PolarHBondContact NZ-OD2 3.34Å; K226-I345 CarbonylContact C-O 3.52Å; K226-I345 WeakPolarHBondContact CA-O 3.46Å
227	C	93.4	Very high	92.2	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.5	170.4	-175.7	0	0	0	0	109.4	W268 A269 A344 I345 L347	C227-W268 WeakPolarHBondContact CA-O 3.34Å; C227-A269 HydrophobicContact CB-CB 4.47Å; C227-A344 CarbonylContact O-C 3.53Å; C227-A344 WeakPolarHBondContact O-CA 3.23Å; C227-I345 PolarHBondContact N-O 3.07Å; C227-I345 PolarHBondContact O-N 2.76Å; C227-L347 HydrophobicContact CB-CD1 4.25Å; C227-L347 HydrophobicContact CB-CD2 3.72Å; C227-L347 HydrophobicContact CB-CG 4.16Å
228	I	95.3	Very high	91.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.6	171.4	-59.1	173.2	0	0	0	108.3	T267 W268 A275 L278 M279 F286 A343 A344	I228-T267 CarbonylContact O-C 3.51Å; I228-T267 WeakPolarHBondContact O-CA 3.25Å; I228-W268 HydrophobicContact CB-CB 4.37Å; I228-W268 PolarHBondContact N-O 3.38Å; I228-W268 PolarHBondContact O-N 2.87Å; I228-A275 HydrophobicContact CD1-CB 4.34Å; I228-A275 HydrophobicContact CG1-CB 4.38Å; I228-L278 HydrophobicContact CD1-CB 3.52Å; I228-L278 HydrophobicContact CD1-CD1 3.85Å; I228-L278 HydrophobicContact CD1-CG 4.35Å; I228-M279 HydrophobicContact CD1-CG 4.17Å; I228-M279 HydrophobicContact CD1-SD 4.38Å; I228-M279 HydrophobicContact CG1-CG 4.2Å; I228-M279 HydrophobicContact CG1-SD 4.12Å; I228-M279 HydrophobicContact CG2-SD 3.91Å; I228-F286 HydrophobicContact CD1-CE2 4.42Å; I228-F286 HydrophobicContact CG2-CE2 4.45Å; I228-F286 HydrophobicContact CG2-CZ 4.26Å; I228-A343 CarbonylContact C-O 3.47Å; I228-A343 VanDerWaalsContact CA-O 3.3Å; I228-A343 WeakPolarHBondContact CA-O 3.16Å; I228-A344 HydrophobicContact CG1-CB 4.48Å
229	V	94.9	Very high	90.5	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.8	172.1	-62.4	0	0	0	0	110.1	N82 F83 L266 T267 R342 A343 I345	N82-V229 HydrophobicContact CB-CG2 4.08Å; F83-V229 HydrophobicContact CE1-CG2 4.45Å; V229-L266 VanDerWaalsContact CA-O 3.29Å; V229-L266 WeakPolarHBondContact CA-O 3.49Å; V229-T267 HydrophobicContact CG1-CG2 4.14Å; V229-R342 CarbonylContact O-C 3.59Å; V229-R342 WeakPolarHBondContact O-CA 3.21Å; V229-A343 HydrophobicContact CG2-CB 3.92Å; V229-A343 PolarHBondContact N-O 3.21Å; V229-A343 PolarHBondContact O-N 3.3Å; V229-I345 HydrophobicContact CG1-CD1 4.17Å; V229-I345 HydrophobicContact CG2-CD1 4.3Å
230	A	95.7	Very high	90	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	160.3	-178.7	0	0	0	0	0	110.5	L232 S265 L266 R342	A230-L232 HydrophobicContact CB-CD2 4.29Å; A230-S265 WeakPolarHBondContact O-CA 3.41Å; A230-L266 HydrophobicContact CB-CB 4.12Å; A230-L266 HydrophobicContact CB-CD2 4.24Å; A230-L266 PolarHBondContact O-N 3.09Å; A230-R342 HydrophobicContact CB-CG 3.92Å
231	N	95.5	Very high	89.9	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.5	167.7	-67.7	-37.1	0	0	0	109.1	Y80 S81 N82 M263 A339 E340	Y80-N231 WeakPolarHBondContact CB-ND2 3.31Å; Y80-N231 PolarHBondContact O-ND2 3.47Å; S81-N231 PolarHBondContact O-ND2 2.92Å; S81-N231 PolarHBondContact O-OD1 2.99Å; N82-N231 PolarHBondContact OD1-ND2 3.06Å; N231-M263 HydrophobicContact CB-CE 4.29Å; N231-A339 CarbonylContact O-C 3.56Å; N231-E340 PolarHBondContact N-O 3.27Å; N231-E340 VanDerWaalsContact N-O 3.13Å; N231-E340 PolarHBondContact O-N 2.86Å
232	L	96.3	Very high	89.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.3	-173.5	-54.7	-178.7	0	0	0	109.8	A230 L234 L256 M263 S264 L266 L290 I336 S338 A339	A230-L232 HydrophobicContact CB-CD2 4.29Å; L232-L234 HydrophobicContact CB-CD2 4.45Å; L232-L256 HydrophobicContact CD1-CD2 3.51Å; L232-M263 VanDerWaalsContact O-CA 3.28Å; L232-M263 WeakPolarHBondContact O-CA 3.29Å; L232-S264 WeakPolarHBondContact CB-O 3.5Å; L232-S264 PolarHBondContact N-O 2.81Å; L232-S264 PolarHBondContact O-N 3.1Å; L232-L266 HydrophobicContact CD1-CB 3.87Å; L232-L266 HydrophobicContact CD1-CD1 4.29Å; L232-L266 HydrophobicContact CD2-CB 4.17Å; L232-L266 HydrophobicContact CD2-CD2 4.4Å; L232-L266 HydrophobicContact CG-CB 4Å; L232-L290 HydrophobicContact CD1-CD2 3.95Å; L232-L290 HydrophobicContact CD2-CD2 3.79Å; L232-I336 HydrophobicContact CB-CD1 4.4Å; L232-I336 HydrophobicContact CB-CG2 4.12Å; L232-I336 HydrophobicContact CD1-CD1 3.79Å; L232-I336 HydrophobicContact CD1-CG1 4.3Å; L232-I336 HydrophobicContact CD1-CG2 4.43Å; L232-I336 HydrophobicContact CD2-CG2 4.13Å; L232-I336 HydrophobicContact CG-CG2 4.46Å; L232-S338 WeakPolarHBondContact CA-O 3.36Å; L232-A339 HydrophobicContact CD2-CB 3.57Å
233	K	96.1	Very high	90	Very high	68 Å²	68	38.4 Å²	38.4	30%	0.296	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.9	164.8	-170.4	69.2	179.8	-173.5	0	108.8	D262 M263 V337 S338	K233-D262 VanDerWaalsContact NZ-CG 3.29Å; K233-D262 IonicContact NZ-OD1 3.99Å; K233-D262 IonicContact NZ-OD2 2.56Å; K233-D262 PolarHBondContact NZ-OD2 3.09Å; K233-M263 HydrophobicContact CB-SD 4.28Å; K233-M263 HydrophobicContact CD-SD 3.41Å; K233-M263 WeakPolarHBondContact CD-SD 3.21Å; K233-M263 HydrophobicContact CG-SD 4.47Å; K233-V337 HydrophobicContact CB-CB 4.28Å; K233-V337 HydrophobicContact CG-CB 4.23Å; K233-V337 PolarHBondContact O-N 3.05Å; K233-S338 VanDerWaalsContact CB-OG 3.29Å; K233-S338 WeakPolarHBondContact CB-OG 3.18Å; K233-S338 PolarHBondContact N-O 3.48Å
234	L	95.1	Very high	90.1	Very high	4 Å²	4	38 Å²	38	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	151	178.4	-55.7	-174.5	0	0	0	111.2	L232 N241 D262 S264 P334 I336	L232-L234 HydrophobicContact CB-CD2 4.45Å; L234-N241 HydrophobicContact CD1-CB 4.37Å; L234-N241 WeakPolarHBondContact CD1-ND2 3.33Å; L234-D262 PolarHBondContact N-O 3.39Å; L234-S264 WeakPolarHBondContact CD1-OG 3.39Å; L234-P334 HydrophobicContact CB-CB 4.43Å; L234-P334 HydrophobicContact CD1-CB 3.93Å; L234-P334 HydrophobicContact CD1-CG 3.67Å; L234-P334 HydrophobicContact CD2-CB 4.1Å; L234-P334 HydrophobicContact CD2-CG 3.8Å; L234-P334 HydrophobicContact CG-CB 4.39Å; L234-P334 HydrophobicContact CG-CG 4.3Å; L234-I336 HydrophobicContact CD2-CD1 3.35Å
235	L	92.5	Very high	90.2	Very high	96 Å²	96	36.8 Å²	36.8	50%	0.503	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-65.2	127.3	162.4	-171.2	70.4	0	0	0	108	Q237 T335 V337	L235-Q237 PolarHBondContact O-N 3.47Å; L235-T335 PolarHBondContact N-O 3.38Å; L235-V337 HydrophobicContact CB-CG2 4.07Å; L235-V337 HydrophobicContact CD1-CG2 4.4Å
236	P	83.6	Confident	90.2	Very high	104 Å²	104	37.3 Å²	37.3	68%	0.675	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-54.7	131.6	-177.1	-27.8	35.1	0	0	0	112.6
237	Q	77.5	Confident	90	Very high	87 Å²	87	35.4 Å²	35.4	41%	0.407	21%	0.212	S	C	.	.			trans	-108.7	147.2	174.8	-62.8	-162	-21.7	0	0	110.8	L235 N239 G240	L235-Q237 PolarHBondContact O-N 3.47Å; Q237-N239 PolarHBondContact O-N 2.92Å; Q237-G240 PolarHBondContact O-N 3.33Å
238	G	74.4	Confident	89.7	Confident	84 Å²	84	35.6 Å²	35.6	87%	0.866	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.6	-176.6	0	0	0	0	0	114.7
239	N	77	Confident	89	Confident	120 Å²	120	36.3 Å²	36.3	64%	0.642	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	9.3	-173.3	-59.3	-9.7	0	0	0	113.2	Q237	Q237-N239 PolarHBondContact O-N 2.92Å
240	G	83.8	Confident	88.1	Confident	19 Å²	19	41.5 Å²	41.5	20%	0.196	24%	0.235	C	C	.	.			trans	72	-168.1	-171.3	0	0	0	0	0	113	Q237	Q237-G240 PolarHBondContact O-N 3.33Å
241	N	90.3	Very high	87.2	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.027	25%	0.249	C	C	.	.	S	Bend	trans	-129	95.1	-176.1	179.6	30.7	0	0	0	110.4	Q110 L234 P258 S260 M263 S264	Q110-N241 PolarHBondContact NE2-O 2.97Å; L234-N241 HydrophobicContact CD1-CB 4.37Å; L234-N241 WeakPolarHBondContact CD1-ND2 3.33Å; N241-P258 WeakPolarHBondContact ND2-CA 3.43Å; N241-P258 WeakPolarHBondContact ND2-CB 3.48Å; N241-P258 VanDerWaalsContact O-CB 3.28Å; N241-P258 WeakPolarHBondContact O-CB 3.37Å; N241-S260 VanDerWaalsContact CB-O 3.26Å; N241-S260 WeakPolarHBondContact CB-O 3.32Å; N241-S260 PolarHBondContact ND2-O 3.29Å; N241-S260 VanDerWaalsContact ND2-O 3.08Å; N241-M263 PolarHBondContact ND2-O 2.75Å; N241-S264 PolarHBondContact ND2-OG 3.37Å
242	H	91	Very high	86.6	Confident	73 Å²	73	43.7 Å²	43.7	34%	0.338	25%	0.252	S	S	.	.			trans	-130.4	4.2	-178.5	-56.2	-76.7	0	0	0	112.6	Q110 T113 R114	Q110-H242 PolarHBondContact NE2-CE1 3.34Å; Q110-H242 VanDerWaalsContact NE2-CE1 3.31Å; Q110-H242 PolarHBondContact NE2-ND1 3.16Å; T113-H242 HydrophobicContact CG2-CB 4.34Å; T113-H242 PolarHBondContact N-O 3.37Å; T113-H242 WeakPolarHBondContact OG1-CB 3.32Å; R114-H242 PolarHBondContact N-O 2.94Å
243	T	91.7	Very high	86.3	Confident	24 Å²	24	44.4 Å²	44.4	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.4	-178.6	-59.8	0	0	0	0	109.4	R114 V116 F245	R114-T243 HydrophobicContact CB-CG2 4.25Å; R114-T243 HydrophobicContact CG-CG2 4.17Å; R114-T243 CarbonylContact O-C 3.55Å; R114-T243 VanDerWaalsContact O-CA 3.28Å; R114-T243 WeakPolarHBondContact O-CA 3.26Å; V116-T243 HydrophobicContact CB-CG2 4.44Å; V116-T243 HydrophobicContact CG2-CG2 3.71Å; T243-F245 HydrophobicContact CG2-CD1 4.38Å; T243-F245 HydrophobicContact CG2-CD2 4.06Å; T243-F245 HydrophobicContact CG2-CE1 3.93Å; T243-F245 HydrophobicContact CG2-CE2 3.58Å; T243-F245 HydrophobicContact CG2-CG 4.44Å; T243-F245 HydrophobicContact CG2-CZ 3.51Å; T243-F245 WeakPolarHBondContact O-CD2 3.48Å
244	A	92.6	Very high	86.1	Confident	7 Å²	7	41.1 Å²	41.1	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.5	165.3	0	0	0	0	0	109.6	V112 R114 M115 V116 L256 L257	V112-A244 HydrophobicContact CG1-CB 3.57Å; R114-A244 PolarHBondContact O-N 2.91Å; M115-A244 CarbonylContact C-O 3.54Å; M115-A244 VanDerWaalsContact CA-O 3.23Å; M115-A244 WeakPolarHBondContact CA-O 3.41Å; M115-A244 HydrophobicContact CB-CB 4.41Å; M115-A244 HydrophobicContact CG-CB 4.34Å; V116-A244 PolarHBondContact N-O 3.37Å; A244-L256 WeakPolarHBondContact CA-O 3.3Å; A244-L257 HydrophobicContact CB-CD2 4.28Å
245	F	92.5	Very high	86	Confident	7 Å²	7	41.3 Å²	41.3	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.3	177.9	-69.8	-87.3	0	0	0	109.2	V116 W118 T243 A255 L256 Y332 P333	V116-F245 HydrophobicContact CB-CD1 3.89Å; V116-F245 HydrophobicContact CB-CE1 4.06Å; V116-F245 HydrophobicContact CG1-CD1 4.42Å; V116-F245 HydrophobicContact CG2-CD1 4.4Å; V116-F245 HydrophobicContact CG2-CE1 4.09Å; V116-F245 CarbonylContact O-C 3.6Å; V116-F245 WeakPolarHBondContact O-CA 3.34Å; W118-F245 HydrophobicContact CH2-CB 3.86Å; W118-F245 HydrophobicContact CH2-CD1 4.08Å; W118-F245 HydrophobicContact CH2-CG 4.4Å; W118-F245 HydrophobicContact CZ3-CB 3.69Å; W118-F245 AromaticContact CZ3-CD1 3.72Å; W118-F245 HydrophobicContact CZ3-CD1 3.72Å; W118-F245 HydrophobicContact CZ3-CG 4.2Å; T243-F245 HydrophobicContact CG2-CD1 4.38Å; T243-F245 HydrophobicContact CG2-CD2 4.06Å; T243-F245 HydrophobicContact CG2-CE1 3.93Å; T243-F245 HydrophobicContact CG2-CE2 3.58Å; T243-F245 HydrophobicContact CG2-CG 4.44Å; T243-F245 HydrophobicContact CG2-CZ 3.51Å; T243-F245 WeakPolarHBondContact O-CD2 3.48Å; F245-A255 CarbonylContact O-C 3.43Å; F245-A255 WeakPolarHBondContact O-CA 3.28Å; F245-A255 WeakPolarHBondContact O-CB 3.4Å; F245-L256 HydrophobicContact CB-CB 4.17Å; F245-L256 HydrophobicContact CB-CD1 4.41Å; F245-L256 HydrophobicContact CB-CG 4.38Å; F245-L256 PolarHBondContact N-O 3.42Å; F245-L256 PolarHBondContact O-N 3.43Å; F245-Y332 WeakPolarHBondContact CE1-O 3.3Å; F245-Y332 WeakPolarHBondContact CZ-O 3.31Å; F245-P333 HydrophobicContact CD1-CB 4.06Å; F245-P333 HydrophobicContact CE1-CB 4.42Å; F245-P333 HydrophobicContact CG-CB 4.16Å
246	Q	91.1	Very high	86.1	Confident	20 Å²	20	36.8 Å²	36.8	9%	0.093	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	116.5	174.6	-179.1	168	-10.7	0	0	111	V116 V117 W118 F248 L254 A255 L373	V116-Q246 PolarHBondContact O-N 3.46Å; V117-Q246 CarbonylContact C-O 3.6Å; V117-Q246 WeakPolarHBondContact CA-O 3.31Å; V117-Q246 HydrophobicContact CG2-CB 4.35Å; W118-Q246 PolarHBondContact N-O 3.28Å; Q246-F248 HydrophobicContact CG-CE2 4.39Å; Q246-L254 CarbonylContact C-O 3.5Å; Q246-L254 WeakPolarHBondContact CA-O 3.33Å; Q246-A255 HydrophobicContact CB-CB 4.26Å; Q246-A255 HydrophobicContact CG-CB 4.32Å; Q246-L373 PolarHBondContact NE2-O 3.13Å; Q246-L373 PolarHBondContact OE1-O 3.32Å
247	R	89.9	Confident	86.6	Confident	3 Å²	3	33.1 Å²	33.1	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.6	174.2	-171	179.6	171.9	164	0.7	110.2	W118 D120 V249 T253 L254 A293 L294 E296	W118-R247 HydrophobicContact CD2-CB 4.1Å; W118-R247 HydrophobicContact CD2-CG 4.25Å; W118-R247 HydrophobicContact CG-CG 4.42Å; W118-R247 HydrophobicContact CH2-CB 4.09Å; W118-R247 HydrophobicContact CZ2-CB 3.63Å; W118-R247 HydrophobicContact CZ2-CG 4.04Å; W118-R247 WeakPolarHBondContact O-CA 3.4Å; D120-R247 IonicContact OD1-CZ 3.9Å; D120-R247 IonicContact OD1-NH2 2.75Å; D120-R247 PolarHBondContact OD1-NH2 3.34Å; R247-V249 HydrophobicContact CG-CG1 3.97Å; R247-T253 WeakPolarHBondContact O-CA 3.48Å; R247-L254 HydrophobicContact CB-CB 4.42Å; R247-L254 PolarHBondContact N-O 2.83Å; R247-L254 PolarHBondContact O-N 2.95Å; R247-A293 WeakPolarHBondContact CD-O 3.07Å; R247-A293 PolarHBondContact NH1-O 3.16Å; R247-L294 PolarHBondContact NH1-O 2.87Å; R247-E296 PolarHBondContact NH1-O 3.45Å; R247-E296 PolarHBondContact NH2-O 3.08Å
248	F	86.5	Confident	87.4	Confident	13 Å²	13	29 Å²	29	6%	0.057	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.9	164.6	-72.6	-85.6	0	0	0	110.2	V117 W118 E119 D120 Q246 T253 L373 Y433	V117-F248 HydrophobicContact CG1-CD2 3.85Å; V117-F248 HydrophobicContact CG1-CE2 3.6Å; W118-F248 PolarHBondContact O-N 3Å; E119-F248 CarbonylContact C-O 3.5Å; E119-F248 WeakPolarHBondContact CA-O 3.26Å; E119-F248 HydrophobicContact CB-CB 4.27Å; D120-F248 WeakPolarHBondContact CB-O 3.36Å; D120-F248 PolarHBondContact N-O 2.82Å; Q246-F248 HydrophobicContact CG-CE2 4.39Å; F248-T253 HydrophobicContact CD1-CG2 3.4Å; F248-T253 VanDerWaalsContact CD1-CG2 3.4Å; F248-T253 HydrophobicContact CE1-CG2 3.52Å; F248-T253 HydrophobicContact CG-CG2 4.25Å; F248-T253 HydrophobicContact CZ-CG2 4.43Å; F248-L373 HydrophobicContact CE1-CD1 4.42Å; F248-L373 HydrophobicContact CE1-CD2 3.76Å; F248-L373 HydrophobicContact CZ-CD2 4.37Å; F248-Y433 HydrophobicContact CB-CD1 3.37Å; F248-Y433 HydrophobicContact CB-CD2 4.39Å; F248-Y433 HydrophobicContact CB-CE1 3.41Å; F248-Y433 VanDerWaalsContact CB-CE1 3.41Å; F248-Y433 HydrophobicContact CB-CE2 4.43Å; F248-Y433 HydrophobicContact CB-CG 3.89Å; F248-Y433 AromaticContact CD1-CD1 3.88Å; F248-Y433 HydrophobicContact CD1-CD1 3.88Å; F248-Y433 AromaticContact CD1-CD2 3.31Å; F248-Y433 HydrophobicContact CD1-CD2 3.31Å; F248-Y433 HydrophobicContact CD1-CE1 4.12Å; F248-Y433 AromaticContact CD1-CE2 3.6Å; F248-Y433 HydrophobicContact CD1-CE2 3.6Å; F248-Y433 AromaticContact CD1-CG 3.47Å; F248-Y433 HydrophobicContact CD1-CG 3.47Å; F248-Y433 VanDerWaalsContact CD1-CG 3.47Å; F248-Y433 AromaticContact CD1-CZ 3.98Å; F248-Y433 HydrophobicContact CD2-CD2 4.49Å; F248-Y433 HydrophobicContact CD2-CE1 4.07Å; F248-Y433 AromaticContact CD2-CE2 3.96Å; F248-Y433 HydrophobicContact CD2-CE2 3.96Å; F248-Y433 AromaticContact CD2-CZ 3.72Å; F248-Y433 AromaticContact CE1-CD2 3.57Å; F248-Y433 HydrophobicContact CE1-CD2 3.57Å; F248-Y433 AromaticContact CE1-CE2 3.71Å; F248-Y433 HydrophobicContact CE1-CE2 3.71Å; F248-Y433 HydrophobicContact CE1-CG 4.19Å; F248-Y433 HydrophobicContact CE2-CE2 4.07Å; F248-Y433 AromaticContact CG-CD1 3.73Å; F248-Y433 HydrophobicContact CG-CD1 3.73Å; F248-Y433 AromaticContact CG-CD2 3.83Å; F248-Y433 HydrophobicContact CG-CD2 3.83Å; F248-Y433 AromaticContact CG-CE1 3.61Å; F248-Y433 HydrophobicContact CG-CE1 3.61Å; F248-Y433 AromaticContact CG-CE2 3.73Å; F248-Y433 HydrophobicContact CG-CE2 3.73Å; F248-Y433 AromaticContact CG-CG 3.83Å; F248-Y433 HydrophobicContact CG-CG 3.83Å; F248-Y433 AromaticContact CG-CZ 3.61Å; F248-Y433 HydrophobicContact CZ-CD2 4.28Å; F248-Y433 AromaticContact CZ-CE2 3.95Å; F248-Y433 HydrophobicContact CZ-CE2 3.95Å
249	V	80.4	Confident	88.4	Confident	16 Å²	16	25.5 Å²	25.5	10%	0.097	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	163.5	175.2	-67	0	0	0	0	109.2	D120 R247 S251 G252	D120-V249 HydrophobicContact CB-CB 4.45Å; D120-V249 HydrophobicContact CB-CG1 4.13Å; R247-V249 HydrophobicContact CG-CG1 3.97Å; V249-S251 VanDerWaalsContact C-N 3.25Å; V249-S251 WeakPolarHBondContact CG2-OG 3.48Å; V249-S251 PolarHBondContact O-N 3.23Å; V249-G252 CarbonylContact C-O 3.53Å; V249-G252 WeakPolarHBondContact CG2-O 3.45Å; V249-G252 PolarHBondContact N-O 2.87Å; V249-G252 PolarHBondContact O-N 2.7Å
250	R	75.9	Confident	89.2	Confident	118 Å²	118	20.9 Å²	20.9	45%	0.445	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36	-179.5	-68.4	-177.9	-179.4	162.4	5.4	113.1	G252 N299	R250-G252 VanDerWaalsContact C-N 3.28Å; R250-G252 PolarHBondContact O-N 3.32Å; R250-N299 PolarHBondContact NH1-OD1 2.88Å
251	S	77	Confident	89.6	Confident	42 Å²	42	23.5 Å²	23.5	29%	0.294	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.8	-178.9	57.7	0	0	0	0	113.9	Q225 V249 N270	Q225-S251 PolarHBondContact NE2-O 3.14Å; V249-S251 VanDerWaalsContact C-N 3.25Å; V249-S251 WeakPolarHBondContact CG2-OG 3.48Å; V249-S251 PolarHBondContact O-N 3.23Å; S251-N270 WeakPolarHBondContact CB-OD1 3.39Å; S251-N270 WeakPolarHBondContact O-CA 3.46Å; S251-N270 PolarHBondContact OG-OD1 2.93Å
252	G	84.4	Confident	89.7	Confident	8 Å²	8	25.5 Å²	25.5	8%	0.082	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-132.1	-175.3	0	0	0	0	0	113	V249 R250 A269	V249-G252 CarbonylContact C-O 3.53Å; V249-G252 WeakPolarHBondContact CG2-O 3.45Å; V249-G252 PolarHBondContact N-O 2.87Å; V249-G252 PolarHBondContact O-N 2.7Å; R250-G252 VanDerWaalsContact C-N 3.28Å; R250-G252 PolarHBondContact O-N 3.32Å; G252-A269 WeakPolarHBondContact CA-O 3.34Å
253	T	89.5	Confident	89.9	Confident	14 Å²	14	22.9 Å²	22.9	9%	0.086	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.8	-176.6	54.1	0	0	0	0	111.8	R247 F248 W268 A269 L373	R247-T253 WeakPolarHBondContact O-CA 3.48Å; F248-T253 HydrophobicContact CD1-CG2 3.4Å; F248-T253 VanDerWaalsContact CD1-CG2 3.4Å; F248-T253 HydrophobicContact CE1-CG2 3.52Å; F248-T253 HydrophobicContact CG-CG2 4.25Å; F248-T253 HydrophobicContact CZ-CG2 4.43Å; T253-W268 CarbonylContact O-C 3.54Å; T253-W268 WeakPolarHBondContact O-CA 3.24Å; T253-A269 PolarHBondContact N-O 2.87Å; T253-A269 PolarHBondContact O-N 3.42Å; T253-L373 HydrophobicContact CG2-CD2 3.23Å
254	L	92.3	Very high	90.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.3	176.9	-176.8	162.9	0	0	0	107.8	Q246 R247 L256 L266 T267 W268 L290 A293 L294	Q246-L254 CarbonylContact C-O 3.5Å; Q246-L254 WeakPolarHBondContact CA-O 3.33Å; R247-L254 HydrophobicContact CB-CB 4.42Å; R247-L254 PolarHBondContact N-O 2.83Å; R247-L254 PolarHBondContact O-N 2.95Å; L254-L256 HydrophobicContact CD2-CD2 4.38Å; L254-L266 HydrophobicContact CG-CD1 4.41Å; L254-T267 CarbonylContact C-O 3.55Å; L254-T267 WeakPolarHBondContact CA-O 3.35Å; L254-W268 HydrophobicContact CB-CG 4.35Å; L254-W268 HydrophobicContact CD1-CD2 4.03Å; L254-W268 HydrophobicContact CD1-CG 4.24Å; L254-W268 HydrophobicContact CD1-CZ2 4.15Å; L254-W268 HydrophobicContact CG-CD2 4.46Å; L254-W268 HydrophobicContact CG-CG 4.19Å; L254-L290 HydrophobicContact CD1-CD1 3.81Å; L254-L290 HydrophobicContact CG-CD1 4.37Å; L254-A293 HydrophobicContact CD1-CB 3.92Å; L254-L294 HydrophobicContact CD1-CG 4.48Å; L254-L294 HydrophobicContact CD2-CD2 3.29Å; L254-L294 HydrophobicContact CD2-CG 3.97Å
255	A	92.7	Very high	90.2	Very high	8 Å²	8	21.5 Å²	21.5	7%	0.066	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.3	178.8	0	0	0	0	0	112.4	F245 Q246 T267	F245-A255 CarbonylContact O-C 3.43Å; F245-A255 WeakPolarHBondContact O-CA 3.28Å; F245-A255 WeakPolarHBondContact O-CB 3.4Å; Q246-A255 HydrophobicContact CB-CB 4.26Å; Q246-A255 HydrophobicContact CG-CB 4.32Å; A255-T267 VanDerWaalsContact CB-OG1 3.25Å; A255-T267 WeakPolarHBondContact CB-OG1 3.37Å; A255-T267 PolarHBondContact N-O 2.79Å; A255-T267 PolarHBondContact O-N 3.36Å
256	L	94.7	Very high	90.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.6	173.6	-49.3	178.4	0	0	0	108.3	L232 A244 F245 L254 S265 L266 L294 P333 P334 I336	L232-L256 HydrophobicContact CD1-CD2 3.51Å; A244-L256 WeakPolarHBondContact CA-O 3.3Å; F245-L256 HydrophobicContact CB-CB 4.17Å; F245-L256 HydrophobicContact CB-CD1 4.41Å; F245-L256 HydrophobicContact CB-CG 4.38Å; F245-L256 PolarHBondContact N-O 3.42Å; F245-L256 PolarHBondContact O-N 3.43Å; L254-L256 HydrophobicContact CD2-CD2 4.38Å; L256-S265 WeakPolarHBondContact CA-O 3.33Å; L256-L266 HydrophobicContact CD2-CD1 3.85Å; L256-L294 HydrophobicContact CD1-CD1 4Å; L256-L294 HydrophobicContact CD1-CD2 3.82Å; L256-L294 HydrophobicContact CG-CD2 4.19Å; L256-P333 HydrophobicContact CD1-CB 4.05Å; L256-P334 HydrophobicContact CD1-CG 4.18Å; L256-I336 HydrophobicContact CD1-CD1 4.28Å
257	L	94	Very high	90.5	Very high	28 Å²	28	22.1 Å²	22.1	15%	0.147	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.7	-178.4	-55.2	178.9	0	0	0	109.2	V84 I144 A244 L259 S264 S265	V84-L257 HydrophobicContact CG2-CD1 4.45Å; I144-L257 HydrophobicContact CD1-CB 3.98Å; I144-L257 HydrophobicContact CD1-CD1 4.32Å; I144-L257 HydrophobicContact CD1-CD2 4.34Å; I144-L257 HydrophobicContact CD1-CG 4.45Å; I144-L257 HydrophobicContact CG1-CB 4.09Å; I144-L257 HydrophobicContact CG2-CB 4.33Å; A244-L257 HydrophobicContact CB-CD2 4.28Å; L257-L259 PolarHBondContact O-N 3.02Å; L257-S264 CarbonylContact O-C 3.54Å; L257-S264 WeakPolarHBondContact O-CA 3.39Å; L257-S264 WeakPolarHBondContact O-CB 3.25Å; L257-S265 PolarHBondContact N-O 2.97Å; L257-S265 PolarHBondContact O-N 2.56Å
258	P	94.4	Very high	90.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.3	-175	26.9	-35	0	0	0	111.8	Q110 V112 I144 N241	Q110-P258 HydrophobicContact CG-CB 4.07Å; Q110-P258 HydrophobicContact CG-CG 4.4Å; Q110-P258 WeakPolarHBondContact CG-O 3.15Å; V112-P258 HydrophobicContact CG2-CG 3.79Å; I144-P258 VanDerWaalsContact CB-O 3.3Å; I144-P258 WeakPolarHBondContact CB-O 3.43Å; I144-P258 HydrophobicContact CG1-CG 4.38Å; I144-P258 VanDerWaalsContact CG1-O 3.28Å; I144-P258 WeakPolarHBondContact CG1-O 3.4Å; N241-P258 WeakPolarHBondContact ND2-CA 3.43Å; N241-P258 WeakPolarHBondContact ND2-CB 3.48Å; N241-P258 VanDerWaalsContact O-CB 3.28Å; N241-P258 WeakPolarHBondContact O-CB 3.37Å
259	L	94.4	Very high	91	Very high	11 Å²	11	22 Å²	22	6%	0.058	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-40.6	176.3	-65.9	176.3	0	0	0	112.6	Y80 V84 Q110 I144 L257 M263	Y80-L259 HydrophobicContact CD1-CB 4.3Å; Y80-L259 HydrophobicContact CD1-CD1 3.9Å; Y80-L259 HydrophobicContact CD1-CD2 4.35Å; Y80-L259 HydrophobicContact CD1-CG 4.42Å; Y80-L259 HydrophobicContact CE1-CB 3.79Å; Y80-L259 HydrophobicContact CE1-CD1 4.25Å; Y80-L259 HydrophobicContact CE1-CD2 4.35Å; Y80-L259 HydrophobicContact CE1-CG 4.36Å; Y80-L259 HydrophobicContact CG-CD1 4.05Å; Y80-L259 PolarHBondContact OH-O 2.88Å; V84-L259 HydrophobicContact CG1-CD2 3.87Å; V84-L259 HydrophobicContact CG2-CD2 4.46Å; Q110-L259 WeakPolarHBondContact CB-O 3.43Å; I144-L259 HydrophobicContact CG2-CD2 3.58Å; L257-L259 PolarHBondContact O-N 3.02Å; L259-M263 HydrophobicContact CB-CB 4.03Å; L259-M263 PolarHBondContact N-O 3.48Å
260	S	93.5	Very high	91.6	Very high	23 Å²	23	21.3 Å²	21.3	16%	0.161	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	179.2	171.7	57.7	0	0	0	0	108.7	N241 D262 M263	N241-S260 VanDerWaalsContact CB-O 3.26Å; N241-S260 WeakPolarHBondContact CB-O 3.32Å; N241-S260 PolarHBondContact ND2-O 3.29Å; N241-S260 VanDerWaalsContact ND2-O 3.08Å; S260-D262 PolarHBondContact O-N 2.74Å; S260-D262 PolarHBondContact OG-OD1 2.97Å; S260-M263 PolarHBondContact N-O 3.36Å; S260-M263 PolarHBondContact O-N 2.94Å; S260-M263 VanDerWaalsContact O-O 3.06Å; S260-M263 VanDerWaalsContact OG-CB 3.25Å; S260-M263 WeakPolarHBondContact OG-CB 3.45Å; S260-M263 VanDerWaalsContact OG-CG 3.29Å; S260-M263 WeakPolarHBondContact OG-CG 3.2Å; S260-M263 PolarHBondContact OG-N 3.41Å
261	S	92.2	Very high	92.4	Very high	74 Å²	74	18.2 Å²	18.2	52%	0.517	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.2	178.3	52.3	0	0	0	0	114.8
262	D	93.5	Very high	93.1	Very high	47 Å²	47	20.1 Å²	20.1	25%	0.251	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	8.3	-174.3	63.3	-12.2	0	0	0	113.8	K233 L234 S260	K233-D262 VanDerWaalsContact NZ-CG 3.29Å; K233-D262 IonicContact NZ-OD1 3.99Å; K233-D262 IonicContact NZ-OD2 2.56Å; K233-D262 PolarHBondContact NZ-OD2 3.09Å; L234-D262 PolarHBondContact N-O 3.39Å; S260-D262 PolarHBondContact O-N 2.74Å; S260-D262 PolarHBondContact OG-OD1 2.97Å
263	M	94.9	Very high	93.6	Very high	17 Å²	17	27.4 Å²	27.4	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.9	179.9	-59.4	-69.2	-65.6	0	0	111.6	Y80 N231 L232 K233 N241 L259 S260	Y80-M263 HydrophobicContact CD2-CE 4.33Å; Y80-M263 HydrophobicContact CD2-CG 4.5Å; Y80-M263 HydrophobicContact CE2-CB 4.28Å; Y80-M263 HydrophobicContact CE2-CG 4.06Å; N231-M263 HydrophobicContact CB-CE 4.29Å; L232-M263 VanDerWaalsContact O-CA 3.28Å; L232-M263 WeakPolarHBondContact O-CA 3.29Å; K233-M263 HydrophobicContact CB-SD 4.28Å; K233-M263 HydrophobicContact CD-SD 3.41Å; K233-M263 WeakPolarHBondContact CD-SD 3.21Å; K233-M263 HydrophobicContact CG-SD 4.47Å; N241-M263 PolarHBondContact ND2-O 2.75Å; L259-M263 HydrophobicContact CB-CB 4.03Å; L259-M263 PolarHBondContact N-O 3.48Å; S260-M263 PolarHBondContact N-O 3.36Å; S260-M263 PolarHBondContact O-N 2.94Å; S260-M263 VanDerWaalsContact O-O 3.06Å; S260-M263 VanDerWaalsContact OG-CB 3.25Å; S260-M263 WeakPolarHBondContact OG-CB 3.45Å; S260-M263 VanDerWaalsContact OG-CG 3.29Å; S260-M263 WeakPolarHBondContact OG-CG 3.2Å; S260-M263 PolarHBondContact OG-N 3.41Å
264	S	95.6	Very high	93.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.5	168.4	-69	0	0	0	0	111.8	L232 L234 N241 L257	L232-S264 WeakPolarHBondContact CB-O 3.5Å; L232-S264 PolarHBondContact N-O 2.81Å; L232-S264 PolarHBondContact O-N 3.1Å; L234-S264 WeakPolarHBondContact CD1-OG 3.39Å; N241-S264 PolarHBondContact ND2-OG 3.37Å; L257-S264 CarbonylContact O-C 3.54Å; L257-S264 WeakPolarHBondContact O-CA 3.39Å; L257-S264 WeakPolarHBondContact O-CB 3.25Å
265	S	95.4	Very high	93.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.1	167.2	-175	0	0	0	0	109.7	V84 A230 L256 L257	V84-S265 WeakPolarHBondContact CG2-OG 3.44Å; A230-S265 WeakPolarHBondContact O-CA 3.41Å; L256-S265 WeakPolarHBondContact CA-O 3.33Å; L257-S265 PolarHBondContact N-O 2.97Å; L257-S265 PolarHBondContact O-N 2.56Å
266	L	95.7	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	140.5	173.3	-177.4	61.7	0	0	0	110.6	V229 A230 L232 L254 L256 W268 F286 L290	V229-L266 VanDerWaalsContact CA-O 3.29Å; V229-L266 WeakPolarHBondContact CA-O 3.49Å; A230-L266 HydrophobicContact CB-CB 4.12Å; A230-L266 HydrophobicContact CB-CD2 4.24Å; A230-L266 PolarHBondContact O-N 3.09Å; L232-L266 HydrophobicContact CD1-CB 3.87Å; L232-L266 HydrophobicContact CD1-CD1 4.29Å; L232-L266 HydrophobicContact CD2-CB 4.17Å; L232-L266 HydrophobicContact CD2-CD2 4.4Å; L232-L266 HydrophobicContact CG-CB 4Å; L254-L266 HydrophobicContact CG-CD1 4.41Å; L256-L266 HydrophobicContact CD2-CD1 3.85Å; L266-W268 HydrophobicContact CD1-CB 4.11Å; L266-W268 HydrophobicContact CD2-CB 4.22Å; L266-W268 HydrophobicContact CD2-CE3 4.36Å; L266-W268 HydrophobicContact CG-CB 4.1Å; L266-F286 HydrophobicContact CD2-CE1 4.04Å; L266-F286 HydrophobicContact CD2-CZ 3.73Å; L266-L290 HydrophobicContact CD1-CD1 3.86Å; L266-L290 HydrophobicContact CD1-CD2 4.4Å; L266-L290 HydrophobicContact CD2-CD1 4.28Å; L266-L290 HydrophobicContact CD2-CD2 4.04Å
267	T	93.5	Very high	94.2	Very high	40 Å²	40	39.9 Å²	39.9	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	112.2	157.7	50.7	0	0	0	0	108.7	I228 V229 L254 A255	I228-T267 CarbonylContact O-C 3.51Å; I228-T267 WeakPolarHBondContact O-CA 3.25Å; V229-T267 HydrophobicContact CG1-CG2 4.14Å; L254-T267 CarbonylContact C-O 3.55Å; L254-T267 WeakPolarHBondContact CA-O 3.35Å; A255-T267 VanDerWaalsContact CB-OG1 3.25Å; A255-T267 WeakPolarHBondContact CB-OG1 3.37Å; A255-T267 PolarHBondContact N-O 2.79Å; A255-T267 PolarHBondContact O-N 3.36Å
268	W	94.2	Very high	94.3	Very high	12 Å²	12	38.9 Å²	38.9	5%	0.045	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	96	-176.2	-166.3	6.1	0	0	0	111.3	C227 I228 T253 L254 L266 N270 L278 F286 V289 L290 A293	C227-W268 WeakPolarHBondContact CA-O 3.34Å; I228-W268 HydrophobicContact CB-CB 4.37Å; I228-W268 PolarHBondContact N-O 3.38Å; I228-W268 PolarHBondContact O-N 2.87Å; T253-W268 CarbonylContact O-C 3.54Å; T253-W268 WeakPolarHBondContact O-CA 3.24Å; L254-W268 HydrophobicContact CB-CG 4.35Å; L254-W268 HydrophobicContact CD1-CD2 4.03Å; L254-W268 HydrophobicContact CD1-CG 4.24Å; L254-W268 HydrophobicContact CD1-CZ2 4.15Å; L254-W268 HydrophobicContact CG-CD2 4.46Å; L254-W268 HydrophobicContact CG-CG 4.19Å; L266-W268 HydrophobicContact CD1-CB 4.11Å; L266-W268 HydrophobicContact CD2-CB 4.22Å; L266-W268 HydrophobicContact CD2-CE3 4.36Å; L266-W268 HydrophobicContact CG-CB 4.1Å; W268-N270 PolarHBondContact NE1-ND2 3.07Å; W268-L278 HydrophobicContact CD2-CD1 4.24Å; W268-L278 HydrophobicContact CE3-CD1 4.08Å; W268-L278 HydrophobicContact CH2-CD1 4.03Å; W268-L278 HydrophobicContact CH2-CD2 4.06Å; W268-L278 HydrophobicContact CZ2-CD1 4.14Å; W268-L278 HydrophobicContact CZ3-CD1 3.99Å; W268-L278 HydrophobicContact CZ3-CD2 4.09Å; W268-F286 HydrophobicContact CE3-CE2 4.2Å; W268-F286 HydrophobicContact CE3-CZ 4.08Å; W268-F286 HydrophobicContact CZ3-CE2 4.12Å; W268-F286 HydrophobicContact CZ3-CZ 4.21Å; W268-V289 HydrophobicContact CH2-CG1 4.08Å; W268-L290 HydrophobicContact CD2-CD1 4.49Å; W268-L290 HydrophobicContact CE3-CD1 3.84Å; W268-L290 HydrophobicContact CH2-CD1 4.43Å; W268-L290 HydrophobicContact CZ3-CB 4.06Å; W268-L290 HydrophobicContact CZ3-CD1 3.8Å; W268-A293 HydrophobicContact CH2-CB 3.71Å; W268-A293 HydrophobicContact CZ2-CB 3.51Å
269	A	92.8	Very high	94.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.8	174.5	0	0	0	0	0	110.7	K226 C227 G252 T253 L347	K226-A269 WeakPolarHBondContact O-CA 3.44Å; C227-A269 HydrophobicContact CB-CB 4.47Å; G252-A269 WeakPolarHBondContact CA-O 3.34Å; T253-A269 PolarHBondContact N-O 2.87Å; T253-A269 PolarHBondContact O-N 3.42Å; A269-L347 HydrophobicContact CB-CD1 3.84Å
270	N	92.6	Very high	94.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	169.2	170.8	-69.7	-79.1	0	0	0	109.9	Q225 K226 S251 W268 T274 A275	Q225-N270 CarbonylContact C-O 3.58Å; Q225-N270 WeakPolarHBondContact CA-O 3.01Å; Q225-N270 WeakPolarHBondContact CB-O 3.15Å; Q225-N270 WeakPolarHBondContact CG-O 3.44Å; K226-N270 PolarHBondContact N-O 3.02Å; K226-N270 PolarHBondContact O-N 3.31Å; S251-N270 WeakPolarHBondContact CB-OD1 3.39Å; S251-N270 WeakPolarHBondContact O-CA 3.46Å; S251-N270 PolarHBondContact OG-OD1 2.93Å; W268-N270 PolarHBondContact NE1-ND2 3.07Å; N270-T274 HydrophobicContact CB-CG2 3.96Å; N270-A275 HydrophobicContact CB-CB 4.41Å
271	D	92.6	Very high	94.6	Very high	53 Å²	53	44 Å²	44	28%	0.283	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	157	164	69.4	88.3	0	0	0	111.4	G224 Q273 T274 A275	G224-D271 WeakPolarHBondContact O-CA 3.24Å; D271-Q273 VanDerWaalsContact C-N 3.3Å; D271-Q273 PolarHBondContact O-N 3.44Å; D271-Q273 PolarHBondContact OD1-N 3.36Å; D271-Q273 VanDerWaalsContact OD1-N 3.14Å; D271-T274 VanDerWaalsContact CG-OG1 3.3Å; D271-T274 PolarHBondContact O-N 3.47Å; D271-T274 PolarHBondContact OD1-N 3Å; D271-T274 PolarHBondContact OD1-OG1 2.93Å; D271-T274 WeakPolarHBondContact OD2-CB 3.5Å; D271-T274 PolarHBondContact OD2-OG1 2.87Å; D271-A275 WeakPolarHBondContact O-CB 3.45Å; D271-A275 PolarHBondContact O-N 2.95Å
272	E	92.6	Very high	94.8	Very high	81 Å²	81	46.8 Å²	46.8	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-38.3	-172.9	-65.9	-176.8	-177.4	0	0	113.4	G224 K226 D276	G224-E272 PolarHBondContact O-N 2.85Å; K226-E272 HydrophobicContact CD-CB 4.45Å; K226-E272 HydrophobicContact CD-CG 4.39Å; K226-E272 HydrophobicContact CG-CG 4.25Å; E272-D276 WeakPolarHBondContact O-CB 3.39Å; E272-D276 PolarHBondContact O-N 3.45Å
273	Q	94.2	Very high	94.9	Very high	162 Å²	162	48.4 Å²	48.4	76%	0.757	26%	0.257	S	S	*	.	H	α-helix	trans	-70.5	-46.7	-177.6	-62.8	-179.8	1.5	0	0	111.2	D271 A275 D276 K277	D271-Q273 VanDerWaalsContact C-N 3.3Å; D271-Q273 PolarHBondContact O-N 3.44Å; D271-Q273 PolarHBondContact OD1-N 3.36Å; D271-Q273 VanDerWaalsContact OD1-N 3.14Å; Q273-A275 VanDerWaalsContact C-N 3.33Å; Q273-A275 PolarHBondContact O-N 3.45Å; Q273-D276 PolarHBondContact O-N 3.1Å; Q273-K277 PolarHBondContact O-N 3.37Å
274	T	94.1	Very high	94.9	Very high	53 Å²	53	53.5 Å²	53.5	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-42.8	176.2	-60	0	0	0	0	110.8	N270 D271 D276 K277 L278	N270-T274 HydrophobicContact CB-CG2 3.96Å; D271-T274 VanDerWaalsContact CG-OG1 3.3Å; D271-T274 PolarHBondContact O-N 3.47Å; D271-T274 PolarHBondContact OD1-N 3Å; D271-T274 PolarHBondContact OD1-OG1 2.93Å; D271-T274 WeakPolarHBondContact OD2-CB 3.5Å; D271-T274 PolarHBondContact OD2-OG1 2.87Å; T274-D276 PolarHBondContact O-N 3.48Å; T274-K277 PolarHBondContact O-N 3.31Å; T274-L278 HydrophobicContact CG2-CD1 4.03Å; T274-L278 HydrophobicContact CG2-CG 4.4Å; T274-L278 WeakPolarHBondContact O-CB 3.28Å; T274-L278 VanDerWaalsContact O-CG 3.29Å; T274-L278 WeakPolarHBondContact O-CG 3.41Å; T274-L278 PolarHBondContact O-N 3.26Å
275	A	95.4	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-43	177.8	0	0	0	0	0	112.3	K226 I228 N270 D271 Q273 K277 L278 M279	K226-A275 HydrophobicContact CB-CB 3.62Å; K226-A275 HydrophobicContact CD-CB 4.24Å; I228-A275 HydrophobicContact CD1-CB 4.34Å; I228-A275 HydrophobicContact CG1-CB 4.38Å; N270-A275 HydrophobicContact CB-CB 4.41Å; D271-A275 WeakPolarHBondContact O-CB 3.45Å; D271-A275 PolarHBondContact O-N 2.95Å; Q273-A275 VanDerWaalsContact C-N 3.33Å; Q273-A275 PolarHBondContact O-N 3.45Å; A275-K277 VanDerWaalsContact C-N 3.35Å; A275-L278 PolarHBondContact O-N 3.09Å; A275-M279 WeakPolarHBondContact O-CB 3.25Å; A275-M279 VanDerWaalsContact O-CG 3.27Å; A275-M279 WeakPolarHBondContact O-CG 3.37Å; A275-M279 PolarHBondContact O-N 3.14Å
276	D	96.3	Very high	95	Very high	82 Å²	82	57.9 Å²	57.9	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-38.3	177.8	-71.7	-24.4	0	0	0	111.8	K226 E272 Q273 T274 M279 G280	K226-D276 IonicContact NZ-OD1 2.65Å; K226-D276 PolarHBondContact NZ-OD1 3.04Å; K226-D276 IonicContact NZ-OD2 2.75Å; K226-D276 PolarHBondContact NZ-OD2 3.34Å; E272-D276 WeakPolarHBondContact O-CB 3.39Å; E272-D276 PolarHBondContact O-N 3.45Å; Q273-D276 PolarHBondContact O-N 3.1Å; T274-D276 PolarHBondContact O-N 3.48Å; D276-M279 PolarHBondContact O-N 3.09Å; D276-G280 PolarHBondContact O-N 3.17Å; D276-G280 VanDerWaalsContact O-N 3.14Å
277	K	96.4	Very high	95.1	Very high	148 Å²	148	58.2 Å²	58.2	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-60.5	-50	172.6	-174.5	-174.4	176.7	-172.2	0	111.4	Q273 T274 A275 M279 G280 M281	Q273-K277 PolarHBondContact O-N 3.37Å; T274-K277 PolarHBondContact O-N 3.31Å; A275-K277 VanDerWaalsContact C-N 3.35Å; K277-M279 VanDerWaalsContact C-N 3.31Å; K277-M279 PolarHBondContact O-N 3.35Å; K277-G280 PolarHBondContact O-N 3.3Å; K277-G280 VanDerWaalsContact O-N 3.09Å; K277-M281 HydrophobicContact CG-CE 4.38Å; K277-M281 PolarHBondContact O-N 3.43Å
278	L	96.1	Very high	95.2	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-37.7	179.3	-72.5	171.5	0	0	0	112.3	I228 W268 T274 A275 G280 M281 F286 V289 R342	I228-L278 HydrophobicContact CD1-CB 3.52Å; I228-L278 HydrophobicContact CD1-CD1 3.85Å; I228-L278 HydrophobicContact CD1-CG 4.35Å; W268-L278 HydrophobicContact CD2-CD1 4.24Å; W268-L278 HydrophobicContact CE3-CD1 4.08Å; W268-L278 HydrophobicContact CH2-CD1 4.03Å; W268-L278 HydrophobicContact CH2-CD2 4.06Å; W268-L278 HydrophobicContact CZ2-CD1 4.14Å; W268-L278 HydrophobicContact CZ3-CD1 3.99Å; W268-L278 HydrophobicContact CZ3-CD2 4.09Å; T274-L278 HydrophobicContact CG2-CD1 4.03Å; T274-L278 HydrophobicContact CG2-CG 4.4Å; T274-L278 WeakPolarHBondContact O-CB 3.28Å; T274-L278 VanDerWaalsContact O-CG 3.29Å; T274-L278 WeakPolarHBondContact O-CG 3.41Å; T274-L278 PolarHBondContact O-N 3.26Å; A275-L278 PolarHBondContact O-N 3.09Å; L278-G280 VanDerWaalsContact C-N 3.27Å; L278-G280 PolarHBondContact O-N 3.05Å; L278-M281 HydrophobicContact CD2-CE 4.27Å; L278-M281 HydrophobicContact CD2-SD 3.82Å; L278-M281 PolarHBondContact O-N 3.17Å; L278-F286 HydrophobicContact CB-CD2 4.3Å; L278-F286 HydrophobicContact CB-CE2 4.14Å; L278-F286 HydrophobicContact CD2-CD2 4.43Å; L278-F286 WeakPolarHBondContact O-CD2 3.29Å; L278-V289 HydrophobicContact CD2-CG1 3.85Å; L278-R342 PolarHBondContact O-NH1 3.01Å
279	M	96.4	Very high	95.2	Very high	56 Å²	56	63 Å²	63	28%	0.276	33%	0.333	S	S	.	.	H	α-helix	trans	-66.3	-28.4	175.2	-75.3	-63.5	-59.3	0	0	112.9	I228 A275 D276 K277 R342 A344	I228-M279 HydrophobicContact CD1-CG 4.17Å; I228-M279 HydrophobicContact CD1-SD 4.38Å; I228-M279 HydrophobicContact CG1-CG 4.2Å; I228-M279 HydrophobicContact CG1-SD 4.12Å; I228-M279 HydrophobicContact CG2-SD 3.91Å; A275-M279 WeakPolarHBondContact O-CB 3.25Å; A275-M279 VanDerWaalsContact O-CG 3.27Å; A275-M279 WeakPolarHBondContact O-CG 3.37Å; A275-M279 PolarHBondContact O-N 3.14Å; D276-M279 PolarHBondContact O-N 3.09Å; K277-M279 VanDerWaalsContact C-N 3.31Å; K277-M279 PolarHBondContact O-N 3.35Å; M279-R342 HydrophobicContact CE-CB 3.92Å; M279-R342 HydrophobicContact SD-CB 3.77Å; M279-A344 HydrophobicContact CG-CB 3.96Å; M279-A344 HydrophobicContact SD-CB 4.06Å
280	G	95.9	Very high	95.4	Very high	66 Å²	66	62.9 Å²	62.9	68%	0.68	33%	0.333	S	S	*	.	H	α-helix	trans	-82.9	-13.9	178	0	0	0	0	0	115.3	D276 K277 L278	D276-G280 PolarHBondContact O-N 3.17Å; D276-G280 VanDerWaalsContact O-N 3.14Å; K277-G280 PolarHBondContact O-N 3.3Å; K277-G280 VanDerWaalsContact O-N 3.09Å; L278-G280 VanDerWaalsContact C-N 3.27Å; L278-G280 PolarHBondContact O-N 3.05Å
281	M	96.8	Very high	95.5	Very high	19 Å²	19	64.3 Å²	64.3	9%	0.094	34%	0.34	C	S	.	.	S	Bend	trans	-66.9	153.2	-179.9	-72.7	174.5	168.9	0	0	112.3	K277 L278 E285 F286 V289 R342	K277-M281 HydrophobicContact CG-CE 4.38Å; K277-M281 PolarHBondContact O-N 3.43Å; L278-M281 HydrophobicContact CD2-CE 4.27Å; L278-M281 HydrophobicContact CD2-SD 3.82Å; L278-M281 PolarHBondContact O-N 3.17Å; M281-E285 HydrophobicContact CB-CB 4.43Å; M281-E285 HydrophobicContact CB-CG 4.39Å; M281-E285 HydrophobicContact CG-CG 4.22Å; M281-E285 HydrophobicContact SD-CG 4.17Å; M281-F286 HydrophobicContact CB-CB 4.19Å; M281-V289 HydrophobicContact CE-CG2 4.23Å; M281-V289 HydrophobicContact SD-CG2 4.25Å; M281-R342 VanDerWaalsContact O-CZ 3.27Å; M281-R342 PolarHBondContact O-NH1 3.29Å; M281-R342 PolarHBondContact O-NH2 3Å
282	L	96.1	Very high	95.5	Very high	134 Å²	134	66.9 Å²	66.9	70%	0.702	35%	0.351	S	S	*	.			trans	-65.9	158.7	166.5	-63.7	177.2	0	0	0	110.5	N284 E285 F286	L282-N284 PolarHBondContact O-N 3.4Å; L282-E285 PolarHBondContact O-N 3.43Å; L282-F286 WeakPolarHBondContact O-CB 3.22Å; L282-F286 PolarHBondContact O-N 3.31Å
283	E	95	Very high	95.5	Very high	80 Å²	80	63.7 Å²	63.7	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-43.8	-174.6	-174.6	173.1	163.9	0	0	113.2	F286 T287 S338 A339	E283-F286 PolarHBondContact O-N 3.11Å; E283-T287 WeakPolarHBondContact O-CB 3.3Å; E283-T287 PolarHBondContact O-N 2.9Å; E283-T287 PolarHBondContact O-OG1 3.32Å; E283-S338 WeakPolarHBondContact OE1-CB 3.41Å; E283-A339 WeakPolarHBondContact CG-O 3.35Å
284	N	95.2	Very high	95.3	Very high	124 Å²	124	56.1 Å²	56.1	66%	0.663	30%	0.303	S	S	*	.	H	α-helix	trans	-64.9	-46.8	178.7	-63.5	-6.9	0	0	0	111.3	L282 F286 T287 D288	L282-N284 PolarHBondContact O-N 3.4Å; N284-F286 VanDerWaalsContact C-N 3.34Å; N284-F286 PolarHBondContact O-N 3.25Å; N284-T287 WeakPolarHBondContact O-CB 3.39Å; N284-T287 PolarHBondContact O-N 3.31Å; N284-T287 VanDerWaalsContact O-N 3.11Å; N284-D288 PolarHBondContact O-N 3.31Å
285	E	96.3	Very high	94.9	Very high	95 Å²	95	59 Å²	59	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-44.1	177.7	-176.2	-173.1	-177.9	0	0	111.3	M281 L282 T287 D288 V289	M281-E285 HydrophobicContact CB-CB 4.43Å; M281-E285 HydrophobicContact CB-CG 4.39Å; M281-E285 HydrophobicContact CG-CG 4.22Å; M281-E285 HydrophobicContact SD-CG 4.17Å; L282-E285 PolarHBondContact O-N 3.43Å; E285-T287 VanDerWaalsContact C-N 3.29Å; E285-T287 PolarHBondContact O-N 3Å; E285-D288 PolarHBondContact O-N 3.26Å; E285-V289 WeakPolarHBondContact O-CB 3.34Å; E285-V289 VanDerWaalsContact O-CG2 3.29Å; E285-V289 WeakPolarHBondContact O-CG2 3.34Å; E285-V289 PolarHBondContact O-N 3.23Å
286	F	97.1	Very high	94.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-40.3	175.2	178.6	-89.5	0	0	0	111.8	I228 L266 W268 L278 M281 L282 E283 N284 L290 A339 R342	I228-F286 HydrophobicContact CD1-CE2 4.42Å; I228-F286 HydrophobicContact CG2-CE2 4.45Å; I228-F286 HydrophobicContact CG2-CZ 4.26Å; L266-F286 HydrophobicContact CD2-CE1 4.04Å; L266-F286 HydrophobicContact CD2-CZ 3.73Å; W268-F286 HydrophobicContact CE3-CE2 4.2Å; W268-F286 HydrophobicContact CE3-CZ 4.08Å; W268-F286 HydrophobicContact CZ3-CE2 4.12Å; W268-F286 HydrophobicContact CZ3-CZ 4.21Å; L278-F286 HydrophobicContact CB-CD2 4.3Å; L278-F286 HydrophobicContact CB-CE2 4.14Å; L278-F286 HydrophobicContact CD2-CD2 4.43Å; L278-F286 WeakPolarHBondContact O-CD2 3.29Å; M281-F286 HydrophobicContact CB-CB 4.19Å; L282-F286 WeakPolarHBondContact O-CB 3.22Å; L282-F286 PolarHBondContact O-N 3.31Å; E283-F286 PolarHBondContact O-N 3.11Å; N284-F286 VanDerWaalsContact C-N 3.34Å; N284-F286 PolarHBondContact O-N 3.25Å; F286-L290 HydrophobicContact CE1-CD2 4.06Å; F286-L290 WeakPolarHBondContact O-CB 3.35Å; F286-L290 PolarHBondContact O-N 2.91Å; F286-A339 HydrophobicContact CD1-CB 3.59Å; F286-A339 HydrophobicContact CE1-CB 3.67Å; F286-R342 HydrophobicContact CE1-CG 4.44Å; F286-R342 HydrophobicContact CZ-CG 4.42Å
287	T	96.8	Very high	93.4	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-41.5	179	-58.4	0	0	0	0	111.5	E283 N284 E285 L290 N291 I336	E283-T287 WeakPolarHBondContact O-CB 3.3Å; E283-T287 PolarHBondContact O-N 2.9Å; E283-T287 PolarHBondContact O-OG1 3.32Å; N284-T287 WeakPolarHBondContact O-CB 3.39Å; N284-T287 PolarHBondContact O-N 3.31Å; N284-T287 VanDerWaalsContact O-N 3.11Å; E285-T287 VanDerWaalsContact C-N 3.29Å; E285-T287 PolarHBondContact O-N 3Å; T287-L290 PolarHBondContact O-N 2.83Å; T287-N291 PolarHBondContact O-N 3.34Å; T287-N291 PolarHBondContact O-ND2 3.17Å; T287-I336 HydrophobicContact CG2-CB 4.26Å; T287-I336 HydrophobicContact CG2-CG2 4.04Å; T287-I336 WeakPolarHBondContact CG2-O 3.49Å
288	D	96	Very high	92.1	Very high	109 Å²	109	63.5 Å²	63.5	58%	0.583	33%	0.334	S	S	*	.	H	α-helix	trans	-62.9	-49.4	175.9	-68.2	-25.1	0	0	0	111	N284 E285 L290 N291 E292	N284-D288 PolarHBondContact O-N 3.31Å; E285-D288 PolarHBondContact O-N 3.26Å; D288-L290 VanDerWaalsContact C-N 3.29Å; D288-L290 PolarHBondContact O-N 3.35Å; D288-N291 PolarHBondContact O-N 2.88Å; D288-E292 PolarHBondContact O-N 3.1Å
289	V	95.3	Very high	90.8	Very high	43 Å²	43	65.7 Å²	65.7	26%	0.261	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-35.6	178	174	0	0	0	0	111.5	W268 L278 M281 E285 A293	W268-V289 HydrophobicContact CH2-CG1 4.08Å; L278-V289 HydrophobicContact CD2-CG1 3.85Å; M281-V289 HydrophobicContact CE-CG2 4.23Å; M281-V289 HydrophobicContact SD-CG2 4.25Å; E285-V289 WeakPolarHBondContact O-CB 3.34Å; E285-V289 VanDerWaalsContact O-CG2 3.29Å; E285-V289 WeakPolarHBondContact O-CG2 3.34Å; E285-V289 PolarHBondContact O-N 3.23Å; V289-A293 VanDerWaalsContact O-CB 3.24Å; V289-A293 WeakPolarHBondContact O-CB 3Å; V289-A293 PolarHBondContact O-N 2.79Å
290	L	95.5	Very high	89.5	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.6	-44.6	175.2	176.4	60.5	0	0	0	112.1	L232 L254 L266 W268 F286 T287 D288 E292 A293 L294 I336	L232-L290 HydrophobicContact CD1-CD2 3.95Å; L232-L290 HydrophobicContact CD2-CD2 3.79Å; L254-L290 HydrophobicContact CD1-CD1 3.81Å; L254-L290 HydrophobicContact CG-CD1 4.37Å; L266-L290 HydrophobicContact CD1-CD1 3.86Å; L266-L290 HydrophobicContact CD1-CD2 4.4Å; L266-L290 HydrophobicContact CD2-CD1 4.28Å; L266-L290 HydrophobicContact CD2-CD2 4.04Å; W268-L290 HydrophobicContact CD2-CD1 4.49Å; W268-L290 HydrophobicContact CE3-CD1 3.84Å; W268-L290 HydrophobicContact CH2-CD1 4.43Å; W268-L290 HydrophobicContact CZ3-CB 4.06Å; W268-L290 HydrophobicContact CZ3-CD1 3.8Å; F286-L290 HydrophobicContact CE1-CD2 4.06Å; F286-L290 WeakPolarHBondContact O-CB 3.35Å; F286-L290 PolarHBondContact O-N 2.91Å; T287-L290 PolarHBondContact O-N 2.83Å; D288-L290 VanDerWaalsContact C-N 3.29Å; D288-L290 PolarHBondContact O-N 3.35Å; L290-E292 VanDerWaalsContact C-N 3.34Å; L290-A293 PolarHBondContact O-N 3.27Å; L290-L294 HydrophobicContact CG-CD1 4.4Å; L290-L294 WeakPolarHBondContact O-CG 3.46Å; L290-L294 PolarHBondContact O-N 2.89Å; L290-I336 HydrophobicContact CD2-CG1 4.04Å; L290-I336 HydrophobicContact CD2-CG2 4.23Å; L290-I336 HydrophobicContact CG-CG1 4.3Å
291	N	95.5	Very high	88.1	Confident	32 Å²	32	63.8 Å²	63.8	17%	0.171	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-42	176.1	-82.1	-55.8	0	0	0	111.2	T287 D288 L294 I295 I336	T287-N291 PolarHBondContact O-N 3.34Å; T287-N291 PolarHBondContact O-ND2 3.17Å; D288-N291 PolarHBondContact O-N 2.88Å; N291-L294 WeakPolarHBondContact O-CB 3.44Å; N291-L294 PolarHBondContact O-N 3.44Å; N291-I295 WeakPolarHBondContact O-CG1 3.18Å; N291-I295 PolarHBondContact O-N 3.09Å; N291-I336 PolarHBondContact ND2-O 2.89Å; N291-I336 PolarHBondContact OD1-N 2.98Å
292	E	93.3	Very high	86.9	Confident	107 Å²	107	67.4 Å²	67.4	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-50.1	173.5	-174.8	174.3	-163.6	0	0	110.8	D288 L290 L294 I295 E296	D288-E292 PolarHBondContact O-N 3.1Å; L290-E292 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 2.95Å; E292-I295 PolarHBondContact O-N 2.88Å; E292-E296 HydrophobicContact CG-CB 4.44Å; E292-E296 VanDerWaalsContact O-CB 3.3Å; E292-E296 WeakPolarHBondContact O-CB 3.47Å; E292-E296 PolarHBondContact O-N 3.48Å
293	A	91.7	Very high	85.8	Confident	14 Å²	14	66.6 Å²	66.6	12%	0.116	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-16.7	178.4	0	0	0	0	0	114.1	R247 L254 W268 V289 L290	R247-A293 WeakPolarHBondContact CD-O 3.07Å; R247-A293 PolarHBondContact NH1-O 3.16Å; L254-A293 HydrophobicContact CD1-CB 3.92Å; W268-A293 HydrophobicContact CH2-CB 3.71Å; W268-A293 HydrophobicContact CZ2-CB 3.51Å; V289-A293 VanDerWaalsContact O-CB 3.24Å; V289-A293 WeakPolarHBondContact O-CB 3Å; V289-A293 PolarHBondContact O-N 2.79Å; L290-A293 PolarHBondContact O-N 3.27Å
294	L	90.2	Very high	84.6	Confident	4 Å²	4	63 Å²	63	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-81.6	-29.4	173.3	-81.6	164.6	0	0	0	113.1	W118 R247 L254 L256 L290 N291 E292 P333 I336	W118-L294 HydrophobicContact CH2-CD2 4.32Å; W118-L294 HydrophobicContact CZ2-CD2 4.34Å; R247-L294 PolarHBondContact NH1-O 2.87Å; L254-L294 HydrophobicContact CD1-CG 4.48Å; L254-L294 HydrophobicContact CD2-CD2 3.29Å; L254-L294 HydrophobicContact CD2-CG 3.97Å; L256-L294 HydrophobicContact CD1-CD1 4Å; L256-L294 HydrophobicContact CD1-CD2 3.82Å; L256-L294 HydrophobicContact CG-CD2 4.19Å; L290-L294 HydrophobicContact CG-CD1 4.4Å; L290-L294 WeakPolarHBondContact O-CG 3.46Å; L290-L294 PolarHBondContact O-N 2.89Å; N291-L294 WeakPolarHBondContact O-CB 3.44Å; N291-L294 PolarHBondContact O-N 3.44Å; E292-L294 PolarHBondContact O-N 2.95Å; L294-P333 HydrophobicContact CB-CG 3.98Å; L294-P333 HydrophobicContact CD2-CB 3.79Å; L294-P333 HydrophobicContact CD2-CG 3.93Å; L294-P333 HydrophobicContact CG-CG 4.45Å; L294-I336 HydrophobicContact CD1-CD1 4.28Å; L294-I336 HydrophobicContact CD1-CG1 3.88Å
295	I	85.8	Confident	83.5	Confident	114 Å²	114	58.1 Å²	58.1	59%	0.585	30%	0.302	S	S	*	.	H	α-helix	trans	-120.6	-14.6	-169.9	68.7	-178.7	0	0	0	115.1	N291 E292	N291-I295 WeakPolarHBondContact O-CG1 3.18Å; N291-I295 PolarHBondContact O-N 3.09Å; E292-I295 PolarHBondContact O-N 2.88Å
296	E	83.3	Confident	82.3	Confident	63 Å²	63	56.8 Å²	56.8	29%	0.294	30%	0.304	S	S	.	.			trans	-53.3	139.8	-175.9	-173.1	-176.4	180	0	0	111.7	R247 E292 N298	R247-E296 PolarHBondContact NH1-O 3.45Å; R247-E296 PolarHBondContact NH2-O 3.08Å; E292-E296 HydrophobicContact CG-CB 4.44Å; E292-E296 VanDerWaalsContact O-CB 3.3Å; E292-E296 WeakPolarHBondContact O-CB 3.47Å; E292-E296 PolarHBondContact O-N 3.48Å; E296-N298 HydrophobicContact CG-CB 4.03Å; E296-N298 WeakPolarHBondContact CG-ND2 3.41Å; E296-N298 WeakPolarHBondContact OE1-CB 3.48Å; E296-N298 PolarHBondContact OE1-ND2 3.23Å
297	R	75.9	Confident	81	Confident	137 Å²	137	58.5 Å²	58.5	52%	0.517	32%	0.317	S	S	.	.			trans	-123.3	13.4	178.2	-65	-171.5	177.3	-177.6	-1.4	113.8	N299 H300	R297-N299 PolarHBondContact O-N 2.98Å; R297-N299 VanDerWaalsContact O-N 3.09Å; R297-H300 WeakPolarHBondContact O-CB 3.36Å; R297-H300 PolarHBondContact O-CD2 3.21Å; R297-H300 VanDerWaalsContact O-CD2 3.27Å; R297-H300 PolarHBondContact O-N 2.82Å; R297-H300 VanDerWaalsContact O-N 3.07Å
298	N	70.4	Confident	79.6	Confident	124 Å²	124	58.5 Å²	58.5	66%	0.663	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.8	-169.8	-67.2	-23.8	0	0	0	113.8	E296	E296-N298 HydrophobicContact CG-CB 4.03Å; E296-N298 WeakPolarHBondContact CG-ND2 3.41Å; E296-N298 WeakPolarHBondContact OE1-CB 3.48Å; E296-N298 PolarHBondContact OE1-ND2 3.23Å
299	N	69	Low	78.4	Confident	53 Å²	53	59.6 Å²	59.6	28%	0.283	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.4	179.2	-69.8	-48.4	0	0	0	114.3	D120 C121 R250 R297 S301	D120-N299 CarbonylContact O-C 3.57Å; D120-N299 VanDerWaalsContact OD2-CB 3.26Å; D120-N299 WeakPolarHBondContact OD2-CB 3.22Å; D120-N299 PolarHBondContact OD2-ND2 3.37Å; C121-N299 WeakPolarHBondContact CA-O 3.49Å; R250-N299 PolarHBondContact NH1-OD1 2.88Å; R297-N299 PolarHBondContact O-N 2.98Å; R297-N299 VanDerWaalsContact O-N 3.09Å; N299-S301 PolarHBondContact O-N 2.98Å
300	H	68.3	Low	77.1	Confident	50 Å²	50	61.5 Å²	61.5	23%	0.231	34%	0.335	C	S	.	.			trans	-64	125.7	-179.9	-79.5	-142.7	0	0	0	111.2	D120 C121 D123 R297	D120-H300 PolarHBondContact O-CD2 3.04Å; C121-H300 WeakPolarHBondContact O-CA 3.49Å; D123-H300 IonicContact OD1-CE1 3.31Å; D123-H300 PolarHBondContact OD1-CE1 3.16Å; D123-H300 IonicContact OD1-ND1 3.52Å; D123-H300 PolarHBondContact OD1-ND1 3.37Å; R297-H300 WeakPolarHBondContact O-CB 3.36Å; R297-H300 PolarHBondContact O-CD2 3.21Å; R297-H300 VanDerWaalsContact O-CD2 3.27Å; R297-H300 PolarHBondContact O-N 2.82Å; R297-H300 VanDerWaalsContact O-N 3.07Å
301	S	67.2	Low	75.8	Confident	31 Å²	31	62.4 Å²	62.4	22%	0.217	34%	0.342	C	S	.	.			trans	-90.8	114.6	172.4	-179.9	0	0	0	0	109.8	C121 N299 L303 T304 N305	C121-S301 PolarHBondContact O-N 3.09Å; N299-S301 PolarHBondContact O-N 2.98Å; S301-L303 PolarHBondContact O-N 3.28Å; S301-T304 WeakPolarHBondContact CB-OG1 3.49Å; S301-T304 PolarHBondContact O-N 3.1Å; S301-T304 VanDerWaalsContact O-N 3.14Å; S301-T304 PolarHBondContact OG-N 3.45Å; S301-T304 PolarHBondContact OG-OG1 2.95Å; S301-N305 PolarHBondContact O-N 2.76Å
302	S	72	Confident	74.4	Confident	96 Å²	96	62.3 Å²	62.3	67%	0.671	34%	0.342	S	S	*	.	H	α-helix	trans	-56.7	-36.3	176.4	60.6	0	0	0	0	112.4	S306	S302-S306 WeakPolarHBondContact O-CB 3.3Å; S302-S306 PolarHBondContact O-N 3.33Å; S302-S306 PolarHBondContact O-OG 3.31Å
303	L	72.7	Confident	73.4	Confident	117 Å²	117	60.2 Å²	60.2	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-65.6	-47.6	176.7	-176.6	66.8	0	0	0	111.3	S301 N305 S306 A307 L438	S301-L303 PolarHBondContact O-N 3.28Å; L303-N305 PolarHBondContact O-N 3.48Å; L303-S306 PolarHBondContact O-N 3.45Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.2Å; L303-L438 HydrophobicContact CD2-CD2 4.45Å
304	T	68.5	Low	72.3	Confident	4 Å²	4	65.5 Å²	65.5	3%	0.025	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-45.7	177.9	-56.1	0	0	0	0	110.9	S301 S306 A307 L308 F442 S445	S301-T304 WeakPolarHBondContact CB-OG1 3.49Å; S301-T304 PolarHBondContact O-N 3.1Å; S301-T304 VanDerWaalsContact O-N 3.14Å; S301-T304 PolarHBondContact OG-N 3.45Å; S301-T304 PolarHBondContact OG-OG1 2.95Å; T304-S306 PolarHBondContact O-N 2.87Å; T304-A307 PolarHBondContact O-N 3.45Å; T304-L308 WeakPolarHBondContact O-CB 3.49Å; T304-L308 PolarHBondContact O-N 2.9Å; T304-F442 HydrophobicContact CG2-CD2 4.39Å; T304-S445 WeakPolarHBondContact CG2-OG 3.4Å
305	N	72.7	Confident	71.1	Confident	21 Å²	21	67.4 Å²	67.4	11%	0.112	38%	0.375	C	S	.	.	H	α-helix	trans	-63.1	-42.2	178.4	-75.9	-12.7	0	0	0	112.3	S122 D123 S301 L303 L308 M309	S122-N305 WeakPolarHBondContact CA-OD1 3.35Å; S122-N305 VanDerWaalsContact CB-OD1 3.27Å; S122-N305 WeakPolarHBondContact CB-OD1 3.33Å; D123-N305 PolarHBondContact N-OD1 2.92Å; D123-N305 VanDerWaalsContact N-OD1 3.08Å; D123-N305 PolarHBondContact OD2-ND2 3.16Å; S301-N305 PolarHBondContact O-N 2.76Å; L303-N305 PolarHBondContact O-N 3.48Å; N305-L308 WeakPolarHBondContact O-CB 3.45Å; N305-L308 PolarHBondContact O-N 3.39Å; N305-M309 WeakPolarHBondContact O-CG 3.46Å; N305-M309 PolarHBondContact O-N 2.95Å
306	S	71.5	Confident	70.1	Confident	68 Å²	68	69.2 Å²	69.2	48%	0.476	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.6	-59.1	0	0	0	0	111.4	S302 L303 T304 L308 M309 C310	S302-S306 WeakPolarHBondContact O-CB 3.3Å; S302-S306 PolarHBondContact O-N 3.33Å; S302-S306 PolarHBondContact O-OG 3.31Å; L303-S306 PolarHBondContact O-N 3.45Å; T304-S306 PolarHBondContact O-N 2.87Å; S306-L308 VanDerWaalsContact C-N 3.34Å; S306-L308 PolarHBondContact O-N 3.33Å; S306-M309 WeakPolarHBondContact O-CB 3.43Å; S306-M309 PolarHBondContact O-N 2.96Å; S306-C310 PolarHBondContact O-N 2.95Å
307	A	70.3	Confident	69.4	Low	35 Å²	35	74.1 Å²	74.1	29%	0.289	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-39.1	175.8	0	0	0	0	0	111.9	L303 T304 C310 A311 F442	L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.2Å; T304-A307 PolarHBondContact O-N 3.45Å; A307-C310 PolarHBondContact O-N 3.21Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.09Å; A307-F442 HydrophobicContact CB-CD2 4.14Å; A307-F442 HydrophobicContact CB-CE2 3.57Å; A307-F442 HydrophobicContact CB-CZ 4.49Å
308	L	66.9	Low	69	Low	7 Å²	7	72.2 Å²	72.2	4%	0.037	40%	0.403	C	S	.	.	H	α-helix	trans	-63	-41.8	174.5	-145	90.1	0	0	0	111.4	A124 T304 N305 S306 A311 N312 N449	A124-L308 HydrophobicContact CB-CD2 4.03Å; T304-L308 WeakPolarHBondContact O-CB 3.49Å; T304-L308 PolarHBondContact O-N 2.9Å; N305-L308 WeakPolarHBondContact O-CB 3.45Å; N305-L308 PolarHBondContact O-N 3.39Å; S306-L308 VanDerWaalsContact C-N 3.34Å; S306-L308 PolarHBondContact O-N 3.33Å; L308-A311 PolarHBondContact O-N 3.29Å; L308-N312 WeakPolarHBondContact O-CB 3.33Å; L308-N312 PolarHBondContact O-N 3.11Å; L308-N312 PolarHBondContact O-ND2 2.83Å; L308-N449 HydrophobicContact CD1-CB 4.48Å; L308-N449 HydrophobicContact CD2-CB 4.26Å; L308-N449 VanDerWaalsContact CD2-ND2 3.32Å; L308-N449 WeakPolarHBondContact CD2-ND2 3.3Å; L308-N449 HydrophobicContact CG-CB 4.47Å
309	M	70.2	Confident	68.6	Low	132 Å²	132	72.4 Å²	72.4	65%	0.65	41%	0.411	S	S	*	.	H	α-helix	trans	-61.5	-44.3	175.3	-77.3	-172.5	172.5	0	0	111.5	N305 S306 N312 A313	N305-M309 WeakPolarHBondContact O-CG 3.46Å; N305-M309 PolarHBondContact O-N 2.95Å; S306-M309 WeakPolarHBondContact O-CB 3.43Å; S306-M309 PolarHBondContact O-N 2.96Å; M309-N312 WeakPolarHBondContact O-CB 3.25Å; M309-N312 PolarHBondContact O-N 2.96Å; M309-A313 PolarHBondContact O-N 2.88Å
310	C	69.3	Low	68.2	Low	83 Å²	83	76.2 Å²	76.2	56%	0.561	43%	0.431	S	S	*	.	H	α-helix	trans	-62.4	-47.4	175	-70.9	0	0	0	0	112	S306 A307 N312 A313 L314	S306-C310 PolarHBondContact O-N 2.95Å; A307-C310 PolarHBondContact O-N 3.21Å; C310-N312 VanDerWaalsContact C-N 3.25Å; C310-N312 PolarHBondContact O-N 3.07Å; C310-A313 PolarHBondContact O-N 3.48Å; C310-L314 WeakPolarHBondContact O-CG 3.4Å; C310-L314 PolarHBondContact O-N 3.12Å
311	A	66.3	Low	67.8	Low	18 Å²	18	75.2 Å²	75.2	15%	0.149	43%	0.428	C	S	.	.	H	α-helix	trans	-59	-40	174.9	0	0	0	0	0	111.3	A307 L308 L314 W315 L446	A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.09Å; L308-A311 PolarHBondContact O-N 3.29Å; A311-L314 PolarHBondContact O-N 3.4Å; A311-W315 HydrophobicContact CB-CE3 4.41Å; A311-W315 HydrophobicContact CB-CZ3 4.32Å; A311-W315 WeakPolarHBondContact O-CB 3.22Å; A311-W315 PolarHBondContact O-N 2.92Å; A311-L446 HydrophobicContact CB-CD1 3.96Å
312	N	67.6	Low	67.3	Low	31 Å²	31	75.5 Å²	75.5	17%	0.166	44%	0.436	C	S	.	.	H	α-helix	trans	-65.4	-39.8	177.7	-77.5	-16.1	0	0	0	113.1	L308 M309 C310 W315 K316 N449 K453	L308-N312 WeakPolarHBondContact O-CB 3.33Å; L308-N312 PolarHBondContact O-N 3.11Å; L308-N312 PolarHBondContact O-ND2 2.83Å; M309-N312 WeakPolarHBondContact O-CB 3.25Å; M309-N312 PolarHBondContact O-N 2.96Å; C310-N312 VanDerWaalsContact C-N 3.25Å; C310-N312 PolarHBondContact O-N 3.07Å; N312-W315 PolarHBondContact O-N 2.85Å; N312-K316 WeakPolarHBondContact O-CG 3.39Å; N312-K316 PolarHBondContact O-N 2.92Å; N312-K316 VanDerWaalsContact O-N 3.1Å; N312-N449 PolarHBondContact ND2-ND2 3.24Å; N312-N449 VanDerWaalsContact ND2-ND2 3.11Å; N312-N449 VanDerWaalsContact OD1-CG 3.28Å; N312-N449 PolarHBondContact OD1-ND2 2.8Å; N312-N449 PolarHBondContact OD1-OD1 2.9Å; N312-K453 VanDerWaalsContact CA-NZ 3.32Å; N312-K453 VanDerWaalsContact CB-NZ 3.27Å; N312-K453 WeakPolarHBondContact OD1-CE 3.21Å; N312-K453 PolarHBondContact OD1-NZ 3.34Å
313	A	71.8	Confident	66.2	Low	62 Å²	62	80.2 Å²	80.2	51%	0.512	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-43.1	174.4	0	0	0	0	0	111.4	M309 C310 K316	M309-A313 PolarHBondContact O-N 2.88Å; C310-A313 PolarHBondContact O-N 3.48Å; A313-K316 PolarHBondContact O-N 3.25Å
314	L	67.5	Low	65.2	Low	126 Å²	126	78.7 Å²	78.7	66%	0.66	44%	0.437	S	S	*	.	H	α-helix	trans	-63.7	-43.1	175.5	-72.6	166.9	0	0	0	112	C310 A311 K316 M317	C310-L314 WeakPolarHBondContact O-CG 3.4Å; C310-L314 PolarHBondContact O-N 3.12Å; A311-L314 PolarHBondContact O-N 3.4Å; L314-K316 PolarHBondContact O-N 3.29Å; L314-M317 WeakPolarHBondContact O-CB 3.35Å; L314-M317 PolarHBondContact O-N 3.04Å; L314-M317 VanDerWaalsContact O-N 3.14Å
315	W	65.3	Low	64.1	Low	43 Å²	43	86.8 Å²	86.8	16%	0.163	48%	0.475	C	S	.	.	H	α-helix	trans	-66.3	-33.3	179.2	-79.7	-34.3	0	0	0	113.7	A311 N312 M317 L318 V321 L446 N449 L450 K453	A311-W315 HydrophobicContact CB-CE3 4.41Å; A311-W315 HydrophobicContact CB-CZ3 4.32Å; A311-W315 WeakPolarHBondContact O-CB 3.22Å; A311-W315 PolarHBondContact O-N 2.92Å; N312-W315 PolarHBondContact O-N 2.85Å; W315-M317 PolarHBondContact O-N 3.17Å; W315-M317 VanDerWaalsContact O-N 3.09Å; W315-L318 PolarHBondContact O-N 2.86Å; W315-V321 HydrophobicContact CB-CG2 4.23Å; W315-V321 WeakPolarHBondContact O-CG2 3.34Å; W315-L446 HydrophobicContact CH2-CD1 3.28Å; W315-L446 HydrophobicContact CH2-CG 3.78Å; W315-L446 HydrophobicContact CZ2-CD1 3.8Å; W315-L446 HydrophobicContact CZ2-CG 4.22Å; W315-L446 HydrophobicContact CZ3-CD1 4.07Å; W315-N449 HydrophobicContact CZ3-CB 4.1Å; W315-L450 HydrophobicContact CH2-CB 3.97Å; W315-L450 HydrophobicContact CH2-CD1 4.23Å; W315-L450 HydrophobicContact CZ2-CB 4.22Å; W315-L450 HydrophobicContact CZ2-CD1 3.69Å; W315-L450 HydrophobicContact CZ2-CG 4.48Å; W315-K453 HydrophobicContact CB-CD 4.42Å; W315-K453 HydrophobicContact CD2-CD 4.48Å; W315-K453 HydrophobicContact CE3-CD 3.81Å; W315-K453 HydrophobicContact CZ3-CD 4.43Å
316	K	64.9	Low	62.4	Low	153 Å²	153	92.9 Å²	92.9	67%	0.665	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.5	174.4	-78.1	-179.5	177.6	-175.5	0	112.9	N312 A313 L314	N312-K316 WeakPolarHBondContact O-CG 3.39Å; N312-K316 PolarHBondContact O-N 2.92Å; N312-K316 VanDerWaalsContact O-N 3.1Å; A313-K316 PolarHBondContact O-N 3.25Å; L314-K316 PolarHBondContact O-N 3.29Å
317	M	69.4	Low	61.1	Low	166 Å²	166	92.6 Å²	92.6	82%	0.818	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.8	174.4	-58.6	-65.7	-151.8	0	0	113.6	L314 W315	L314-M317 WeakPolarHBondContact O-CB 3.35Å; L314-M317 PolarHBondContact O-N 3.04Å; L314-M317 VanDerWaalsContact O-N 3.14Å; W315-M317 PolarHBondContact O-N 3.17Å; W315-M317 VanDerWaalsContact O-N 3.09Å
318	L	67.9	Low	60.1	Low	97 Å²	97	98 Å²	98	51%	0.508	52%	0.522	S	S	.	.	S	Bend	trans	-95.6	131.8	-179.3	-73.4	164.6	0	0	0	111.2	W315 L320 V321	W315-L318 PolarHBondContact O-N 2.86Å; L318-L320 PolarHBondContact O-N 2.95Å; L318-L320 VanDerWaalsContact O-N 3.11Å; L318-V321 HydrophobicContact CB-CG2 4.41Å; L318-V321 PolarHBondContact O-N 3.24Å
319	P	62	Low	59.3	Low	127 Å²	127	104.7 Å²	104.7	83%	0.825	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-11.9	-171.7	26.3	-34.2	0	0	0	114.8	V321	P319-V321 VanDerWaalsContact C-N 3.34Å
320	L	61	Low	58.9	Low	134 Å²	134	102 Å²	102	70%	0.702	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.6	-179.8	-78.7	151.8	0	0	0	113.6	L318	L318-L320 PolarHBondContact O-N 2.95Å; L318-L320 VanDerWaalsContact O-N 3.11Å
321	V	58.4	Low	59.1	Low	28 Å²	28	99.4 Å²	99.4	17%	0.17	53%	0.527	C	S	.	.	S	Bend	trans	-92.2	118.4	-176.1	175.7	0	0	0	0	109.4	W315 L318 P319 K453 L454	W315-V321 HydrophobicContact CB-CG2 4.23Å; W315-V321 WeakPolarHBondContact O-CG2 3.34Å; L318-V321 HydrophobicContact CB-CG2 4.41Å; L318-V321 PolarHBondContact O-N 3.24Å; P319-V321 VanDerWaalsContact C-N 3.34Å; V321-K453 HydrophobicContact CG1-CB 3.97Å; V321-K453 HydrophobicContact CG1-CD 4.12Å; V321-K453 HydrophobicContact CG1-CG 4.15Å; V321-L454 HydrophobicContact CG2-CD2 4.31Å
322	G	57.5	Low	59.9	Low	38 Å²	38	105.1 Å²	105.1	39%	0.392	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-63.9	142.8	177.7	0	0	0	0	0	111.6	E324 K453	G322-E324 PolarHBondContact O-N 3.37Å; G322-K453 PolarHBondContact N-O 2.89Å
323	Q	48.8	Very low	60.9	Low	195 Å²	195	104.5 Å²	104.5	91%	0.911	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-67.4	123.6	170.2	-76.7	-160.7	-19.9	0	0	109.7	Q325	Q323-Q325 PolarHBondContact O-N 3.38Å
324	E	51.5	Low	61.8	Low	84 Å²	84	101.7 Å²	101.7	39%	0.393	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-62.4	118.4	172.8	-77.6	174.2	153.9	0	0	109.2	G322 N326 N452	G322-E324 PolarHBondContact O-N 3.37Å; E324-N326 PolarHBondContact O-N 3.27Å; E324-N452 PolarHBondContact OE1-ND2 2.77Å
325	Q	44.4	Very low	63.1	Low	174 Å²	174	99.4 Å²	99.4	81%	0.813	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-68.8	121.2	164.1	-74.1	-168.9	-18	0	0	108.1	Q323 V327	Q323-Q325 PolarHBondContact O-N 3.38Å; Q325-V327 PolarHBondContact O-N 3.45Å
326	N	37.2	Very low	64.6	Low	149 Å²	149	97.5 Å²	97.5	80%	0.797	50%	0.504	S	S	*	.			trans	-58.6	93.3	173.9	-89.6	-22.8	0	0	0	110.2	E324	E324-N326 PolarHBondContact O-N 3.27Å
327	V	46	Very low	66.1	Low	62 Å²	62	94.1 Å²	94.1	38%	0.376	50%	0.496	S	S	.	.			trans	-121.3	65.4	164.3	-167	0	0	0	0	106.9	Q325 N329 D330 N331	Q325-V327 PolarHBondContact O-N 3.45Å; V327-N329 VanDerWaalsContact C-N 3.33Å; V327-D330 HydrophobicContact CG1-CB 3.75Å; V327-N331 PolarHBondContact O-ND2 2.69Å; V327-N331 VanDerWaalsContact O-ND2 3.08Å
328	E	48.6	Very low	67.4	Low	149 Å²	149	87.4 Å²	87.4	70%	0.696	47%	0.465	S	S	*	.			trans	-68.5	-30.5	-178.2	-99.9	-179.1	155.5	0	0	112.6	Y332	E328-Y332 WeakPolarHBondContact O-CE2 3.49Å
329	N	49.2	Very low	68.6	Low	147 Å²	147	82.9 Å²	82.9	79%	0.786	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-85.4	-25.3	-173.1	-82.9	-7.6	0	0	0	115.5	V327 N331	V327-N329 VanDerWaalsContact C-N 3.33Å; N329-N331 VanDerWaalsContact C-N 3.34Å; N329-N331 PolarHBondContact O-N 3.11Å
330	D	61.6	Low	69.8	Low	75 Å²	75	81 Å²	81	40%	0.401	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-88.9	4	-179	-77.8	-19.4	0	0	0	113.4	R114 V327	R114-D330 PolarHBondContact NH1-O 3.37Å; V327-D330 HydrophobicContact CG1-CB 3.75Å
331	N	74.5	Confident	70.9	Confident	30 Å²	30	79.9 Å²	79.9	16%	0.16	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-85.4	-7.9	-178.1	-69.5	-22.8	0	0	0	113.8	R114 V327 N329	R114-N331 PolarHBondContact NH2-OD1 2.93Å; V327-N331 PolarHBondContact O-ND2 2.69Å; V327-N331 VanDerWaalsContact O-ND2 3.08Å; N329-N331 VanDerWaalsContact C-N 3.34Å; N329-N331 PolarHBondContact O-N 3.11Å
332	Y	82.5	Confident	72.5	Confident	138 Å²	138	81.5 Å²	81.5	54%	0.541	41%	0.414	S	S	.	.	S	Bend	trans	-87.4	136.8	-177.2	-65.3	-81.7	0	0	0	111.3	F245 E328	F245-Y332 WeakPolarHBondContact CE1-O 3.3Å; F245-Y332 WeakPolarHBondContact CZ-O 3.31Å; E328-Y332 WeakPolarHBondContact O-CE2 3.49Å
333	P	88.8	Confident	74.3	Confident	18 Å²	18	80.9 Å²	80.9	12%	0.117	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-63.2	150	174.6	27.3	-33.9	0	0	0	110.8	W118 F245 L256 L294	W118-P333 HydrophobicContact CH2-CB 4.1Å; W118-P333 HydrophobicContact CH2-CG 4Å; W118-P333 HydrophobicContact CZ2-CG 4.02Å; F245-P333 HydrophobicContact CD1-CB 4.06Å; F245-P333 HydrophobicContact CE1-CB 4.42Å; F245-P333 HydrophobicContact CG-CB 4.16Å; L256-P333 HydrophobicContact CD1-CB 4.05Å; L294-P333 HydrophobicContact CB-CG 3.98Å; L294-P333 HydrophobicContact CD2-CB 3.79Å; L294-P333 HydrophobicContact CD2-CG 3.93Å; L294-P333 HydrophobicContact CG-CG 4.45Å
334	P	91.5	Very high	76.5	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.013	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65	148.8	176.1	28.3	-35.7	0	0	0	111.5	L234 L256	L234-P334 HydrophobicContact CB-CB 4.43Å; L234-P334 HydrophobicContact CD1-CB 3.93Å; L234-P334 HydrophobicContact CD1-CG 3.67Å; L234-P334 HydrophobicContact CD2-CB 4.1Å; L234-P334 HydrophobicContact CD2-CG 3.8Å; L234-P334 HydrophobicContact CG-CB 4.39Å; L234-P334 HydrophobicContact CG-CG 4.3Å; L256-P334 HydrophobicContact CD1-CG 4.18Å
335	T	94	Very high	78.4	Confident	78 Å²	78	71.7 Å²	71.7	48%	0.479	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-69.4	131.3	171	-54.4	0	0	0	0	110.2	L235	L235-T335 PolarHBondContact N-O 3.38Å
336	I	96.5	Very high	80.7	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.1	177.9	-47.8	-51.3	0	0	0	109.1	L232 L234 L256 T287 L290 N291 L294 S338	L232-I336 HydrophobicContact CB-CD1 4.4Å; L232-I336 HydrophobicContact CB-CG2 4.12Å; L232-I336 HydrophobicContact CD1-CD1 3.79Å; L232-I336 HydrophobicContact CD1-CG1 4.3Å; L232-I336 HydrophobicContact CD1-CG2 4.43Å; L232-I336 HydrophobicContact CD2-CG2 4.13Å; L232-I336 HydrophobicContact CG-CG2 4.46Å; L234-I336 HydrophobicContact CD2-CD1 3.35Å; L256-I336 HydrophobicContact CD1-CD1 4.28Å; T287-I336 HydrophobicContact CG2-CB 4.26Å; T287-I336 HydrophobicContact CG2-CG2 4.04Å; T287-I336 WeakPolarHBondContact CG2-O 3.49Å; L290-I336 HydrophobicContact CD2-CG1 4.04Å; L290-I336 HydrophobicContact CD2-CG2 4.23Å; L290-I336 HydrophobicContact CG-CG1 4.3Å; N291-I336 PolarHBondContact ND2-O 2.89Å; N291-I336 PolarHBondContact OD1-N 2.98Å; L294-I336 HydrophobicContact CD1-CD1 4.28Å; L294-I336 HydrophobicContact CD1-CG1 3.88Å; I336-S338 WeakPolarHBondContact CG2-O 3.32Å
337	V	96.6	Very high	83.2	Confident	82 Å²	82	59.2 Å²	59.2	50%	0.497	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-40.5	178.4	175.7	0	0	0	0	111	K233 L235	K233-V337 HydrophobicContact CB-CB 4.28Å; K233-V337 HydrophobicContact CG-CB 4.23Å; K233-V337 PolarHBondContact O-N 3.05Å; L235-V337 HydrophobicContact CB-CG2 4.07Å; L235-V337 HydrophobicContact CD1-CG2 4.4Å
338	S	96	Very high	85.3	Confident	25 Å²	25	58.5 Å²	58.5	18%	0.175	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	161.3	177.8	65.9	0	0	0	0	111.6	L232 K233 E283 I336	L232-S338 WeakPolarHBondContact CA-O 3.36Å; K233-S338 VanDerWaalsContact CB-OG 3.29Å; K233-S338 WeakPolarHBondContact CB-OG 3.18Å; K233-S338 PolarHBondContact N-O 3.48Å; E283-S338 WeakPolarHBondContact OE1-CB 3.41Å; I336-S338 WeakPolarHBondContact CG2-O 3.32Å
339	A	94.1	Very high	87.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	98.8	-179.1	0	0	0	0	0	110.7	N231 L232 E283 F286	N231-A339 CarbonylContact O-C 3.56Å; L232-A339 HydrophobicContact CD2-CB 3.57Å; E283-A339 WeakPolarHBondContact CG-O 3.35Å; F286-A339 HydrophobicContact CD1-CB 3.59Å; F286-A339 HydrophobicContact CE1-CB 3.67Å
340	E	87.9	Confident	89.5	Confident	87 Å²	87	45.1 Å²	45.1	41%	0.407	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	146.3	-176.7	-62.3	-178.2	-171.5	0	0	111.8	N231	N231-E340 PolarHBondContact N-O 3.27Å; N231-E340 VanDerWaalsContact N-O 3.13Å; N231-E340 PolarHBondContact O-N 2.86Å
341	K	82.4	Confident	91	Very high	112 Å²	112	42.1 Å²	42.1	49%	0.487	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.3	76.6	168.4	-60.7	177.8	-174.6	173.6	0	112.8	T79 N82	T79-K341 PolarHBondContact OG1-NZ 3.07Å; T79-K341 VanDerWaalsContact OG1-NZ 3.12Å; N82-K341 PolarHBondContact ND2-O 2.94Å; N82-K341 WeakPolarHBondContact OD1-CB 3.41Å; N82-K341 PolarHBondContact OD1-O 2.89Å
342	R	94	Very high	92	Very high	62 Å²	62	40.7 Å²	40.7	23%	0.234	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.9	176.5	-67.4	167.7	-73.1	166.2	-0	112	V229 A230 L278 M279 M281 F286	V229-R342 CarbonylContact O-C 3.59Å; V229-R342 WeakPolarHBondContact O-CA 3.21Å; A230-R342 HydrophobicContact CB-CG 3.92Å; L278-R342 PolarHBondContact O-NH1 3.01Å; M279-R342 HydrophobicContact CE-CB 3.92Å; M279-R342 HydrophobicContact SD-CB 3.77Å; M281-R342 VanDerWaalsContact O-CZ 3.27Å; M281-R342 PolarHBondContact O-NH1 3.29Å; M281-R342 PolarHBondContact O-NH2 3Å; F286-R342 HydrophobicContact CE1-CG 4.44Å; F286-R342 HydrophobicContact CZ-CG 4.42Å
343	A	94.9	Very high	92.6	Very high	24 Å²	24	36.8 Å²	36.8	20%	0.198	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.9	167.4	0	0	0	0	0	110.2	F83 I228 V229	F83-A343 HydrophobicContact CZ-CB 4.49Å; I228-A343 CarbonylContact C-O 3.47Å; I228-A343 VanDerWaalsContact CA-O 3.3Å; I228-A343 WeakPolarHBondContact CA-O 3.16Å; V229-A343 HydrophobicContact CG2-CB 3.92Å; V229-A343 PolarHBondContact N-O 3.21Å; V229-A343 PolarHBondContact O-N 3.3Å
344	A	94.4	Very high	92.9	Very high	41 Å²	41	40.6 Å²	40.6	34%	0.339	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.2	178.9	0	0	0	0	0	111.4	C227 I228 M279	C227-A344 CarbonylContact O-C 3.53Å; C227-A344 WeakPolarHBondContact O-CA 3.23Å; I228-A344 HydrophobicContact CG1-CB 4.48Å; M279-A344 HydrophobicContact CG-CB 3.96Å; M279-A344 HydrophobicContact SD-CB 4.06Å
345	I	91.8	Very high	93.2	Very high	46 Å²	46	40.5 Å²	40.5	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.7	-176.2	-47.4	164.4	0	0	0	109.2	F83 K226 C227 V229	F83-I345 HydrophobicContact CD1-CD1 4.04Å; F83-I345 HydrophobicContact CE1-CD1 3.4Å; F83-I345 VanDerWaalsContact CE1-CD1 3.4Å; F83-I345 HydrophobicContact CE1-CG1 3.96Å; F83-I345 HydrophobicContact CZ-CD1 4.35Å; K226-I345 CarbonylContact C-O 3.52Å; K226-I345 WeakPolarHBondContact CA-O 3.46Å; C227-I345 PolarHBondContact N-O 3.07Å; C227-I345 PolarHBondContact O-N 2.76Å; V229-I345 HydrophobicContact CG1-CD1 4.17Å; V229-I345 HydrophobicContact CG2-CD1 4.3Å
346	P	92.4	Very high	93.3	Very high	52 Å²	52	38.3 Å²	38.3	34%	0.338	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.7	175.8	28.6	-34.3	0	0	0	111.4
347	L	90.2	Very high	93.2	Very high	9 Å²	9	40 Å²	40	5%	0.047	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.9	178.3	-58.9	-169.5	0	0	0	110.8	Y223 Q225 C227 A269 P372	Y223-L347 HydrophobicContact CD2-CB 4.15Å; Y223-L347 PolarHBondContact N-O 3.42Å; Q225-L347 HydrophobicContact CB-CB 4.29Å; Q225-L347 HydrophobicContact CB-CD1 4.03Å; Q225-L347 HydrophobicContact CB-CG 4.32Å; Q225-L347 PolarHBondContact O-N 2.95Å; C227-L347 HydrophobicContact CB-CD1 4.25Å; C227-L347 HydrophobicContact CB-CD2 3.72Å; C227-L347 HydrophobicContact CB-CG 4.16Å; A269-L347 HydrophobicContact CB-CD1 3.84Å; L347-P372 HydrophobicContact CD1-CG 4.2Å; L347-P372 HydrophobicContact CD2-CG 3.5Å; L347-P372 HydrophobicContact CG-CG 4.48Å
348	Q	90.2	Very high	93.1	Very high	46 Å²	46	39 Å²	39	22%	0.215	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.7	-176.4	-63.4	-176.6	-6.7	0	0	110.5
349	F	91.8	Very high	93.1	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.066	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.9	165.9	-175.8	-90	0	0	0	109.5	V219 R220 F221 Y223 H351 R369 A423	V219-F349 HydrophobicContact CB-CE1 4.36Å; V219-F349 HydrophobicContact CG1-CD1 4.44Å; V219-F349 HydrophobicContact CG1-CE1 4.09Å; R220-F349 VanDerWaalsContact CA-O 3.31Å; R220-F349 WeakPolarHBondContact CA-O 3.4Å; F221-F349 HydrophobicContact CD1-CB 4.14Å; F221-F349 AromaticContact CD1-CD1 3.88Å; F221-F349 HydrophobicContact CD1-CD1 3.88Å; F221-F349 HydrophobicContact CD1-CG 4.28Å; F221-F349 HydrophobicContact CD2-CB 3.84Å; F221-F349 HydrophobicContact CE1-CB 3.81Å; F221-F349 AromaticContact CE1-CD1 3.27Å; F221-F349 HydrophobicContact CE1-CD1 3.27Å; F221-F349 HydrophobicContact CE1-CD2 4.43Å; F221-F349 AromaticContact CE1-CE1 3.89Å; F221-F349 HydrophobicContact CE1-CE1 3.89Å; F221-F349 AromaticContact CE1-CG 3.59Å; F221-F349 HydrophobicContact CE1-CG 3.59Å; F221-F349 HydrophobicContact CE2-CB 3.5Å; F221-F349 VanDerWaalsContact CE2-CB 3.5Å; F221-F349 HydrophobicContact CE2-CD1 4.5Å; F221-F349 AromaticContact CE2-CG 3.99Å; F221-F349 HydrophobicContact CE2-CG 3.99Å; F221-F349 HydrophobicContact CG-CB 4.15Å; F221-F349 HydrophobicContact CZ-CB 3.47Å; F221-F349 VanDerWaalsContact CZ-CB 3.47Å; F221-F349 AromaticContact CZ-CD1 3.64Å; F221-F349 HydrophobicContact CZ-CD1 3.64Å; F221-F349 AromaticContact CZ-CD2 3.97Å; F221-F349 HydrophobicContact CZ-CD2 3.97Å; F221-F349 HydrophobicContact CZ-CE1 4.35Å; F221-F349 AromaticContact CZ-CG 3.42Å; F221-F349 HydrophobicContact CZ-CG 3.42Å; F221-F349 VanDerWaalsContact CZ-CG 3.42Å; F221-F349 PolarHBondContact N-O 2.89Å; F221-F349 VanDerWaalsContact N-O 3.16Å; F221-F349 PolarHBondContact O-N 3.4Å; Y223-F349 HydrophobicContact CE2-CB 3.82Å; F349-H351 HydrophobicContact CE1-CB 3.72Å; F349-H351 HydrophobicContact CZ-CB 3.85Å; F349-R369 WeakPolarHBondContact CA-O 3.3Å; F349-A423 HydrophobicContact CE2-CB 4.03Å
350	V	92.7	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.2	169.9	-175.9	0	0	0	0	108	V218 V219 R220 H368 R369	V218-V350 HydrophobicContact CB-CG1 4.37Å; V218-V350 HydrophobicContact CG1-CG1 4.37Å; V219-V350 CarbonylContact O-C 3.56Å; V219-V350 WeakPolarHBondContact O-CA 3.42Å; R220-V350 HydrophobicContact CG-CG2 4.15Å; V350-H368 CarbonylContact O-C 3.59Å; V350-H368 VanDerWaalsContact O-CA 3.3Å; V350-H368 WeakPolarHBondContact O-CA 3.38Å; V350-R369 HydrophobicContact CB-CB 4.06Å; V350-R369 HydrophobicContact CG2-CB 4.43Å; V350-R369 PolarHBondContact N-O 3.02Å; V350-R369 PolarHBondContact O-N 3.42Å
351	H	94.7	Very high	93.7	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.06	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	122.9	171.1	-173.9	-81.6	0	0	0	109.9	V218 V219 F349 Y355 L420	V218-H351 CarbonylContact C-O 3.48Å; V218-H351 WeakPolarHBondContact CA-O 3.44Å; V219-H351 PolarHBondContact N-O 2.85Å; V219-H351 PolarHBondContact O-N 3.33Å; F349-H351 HydrophobicContact CE1-CB 3.72Å; F349-H351 HydrophobicContact CZ-CB 3.85Å; H351-Y355 AromaticContact CE1-CE1 3.97Å; H351-Y355 AromaticContact NE2-CE1 3.95Å; H351-Y355 AromaticContact NE2-CZ 3.89Å; H351-Y355 PolarHBondContact NE2-OH 3.11Å; H351-L420 VanDerWaalsContact NE2-CD2 3.34Å; H351-L420 WeakPolarHBondContact NE2-CD2 3.49Å
352	A	95.3	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	136.7	175.3	0	0	0	0	0	110.8	V216 V218 H354 Y355 L362 A367	V216-A352 HydrophobicContact CG1-CB 3.84Å; V218-A352 HydrophobicContact CG1-CB 4.31Å; A352-H354 VanDerWaalsContact C-N 3.25Å; A352-H354 VanDerWaalsContact CB-O 3.27Å; A352-H354 WeakPolarHBondContact CB-O 3.47Å; A352-H354 PolarHBondContact O-N 2.84Å; A352-Y355 HydrophobicContact CB-CD1 4.2Å; A352-Y355 HydrophobicContact CB-CE1 4.32Å; A352-L362 HydrophobicContact CB-CD1 4.07Å; A352-A367 VanDerWaalsContact CB-O 3.3Å; A352-A367 WeakPolarHBondContact CB-O 3.11Å; A352-A367 PolarHBondContact N-O 2.62Å
353	T	94.7	Very high	94.6	Very high	56 Å²	56	26.2 Å²	26.2	34%	0.344	15%	0.147	S	C	.	.	S	Bend	trans	-68.9	-31.1	177.7	57.6	0	0	0	0	111.7	H217 Q416	H217-T353 HydrophobicContact CB-CG2 4.02Å; H217-T353 PolarHBondContact O-N 3.48Å; H217-T353 PolarHBondContact O-OG1 2.8Å; T353-Q416 PolarHBondContact O-NE2 2.91Å
354	H	95.5	Very high	94.7	Very high	97 Å²	97	25.1 Å²	25.1	45%	0.449	14%	0.139	S	C	.	.			trans	-126.1	144.8	173	-64.8	-66.3	0	0	0	110.2	V216 A352 E412	V216-H354 HydrophobicContact CG1-CB 4.31Å; V216-H354 WeakPolarHBondContact CG1-O 3.16Å; A352-H354 VanDerWaalsContact C-N 3.25Å; A352-H354 VanDerWaalsContact CB-O 3.27Å; A352-H354 WeakPolarHBondContact CB-O 3.47Å; A352-H354 PolarHBondContact O-N 2.84Å; H354-E412 WeakPolarHBondContact CA-OE2 3.45Å; H354-E412 WeakPolarHBondContact CB-OE2 3.3Å; H354-E412 IonicContact CG-OE2 3.61Å; H354-E412 IonicContact ND1-OE1 2.83Å; H354-E412 IonicContact ND1-OE2 3.54Å
355	Y	97.2	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-101.1	-6.3	176.5	-71.8	12.5	0	0	0	111.6	H351 A352 V361 L362 A367 H368 Y411 E412 R415 Q416	H351-Y355 AromaticContact CE1-CE1 3.97Å; H351-Y355 AromaticContact NE2-CE1 3.95Å; H351-Y355 AromaticContact NE2-CZ 3.89Å; H351-Y355 PolarHBondContact NE2-OH 3.11Å; A352-Y355 HydrophobicContact CB-CD1 4.2Å; A352-Y355 HydrophobicContact CB-CE1 4.32Å; Y355-V361 CarbonylContact O-C 3.56Å; Y355-V361 WeakPolarHBondContact O-CA 3.36Å; Y355-V361 WeakPolarHBondContact O-CG2 3.31Å; Y355-L362 PolarHBondContact O-N 3.38Å; Y355-A367 HydrophobicContact CD1-CB 4Å; Y355-A367 HydrophobicContact CD2-CB 4.27Å; Y355-A367 HydrophobicContact CE1-CB 4Å; Y355-A367 HydrophobicContact CE2-CB 4.25Å; Y355-A367 HydrophobicContact CG-CB 4.16Å; Y355-H368 AromaticContact CE2-CD2 3.64Å; Y355-H368 AromaticContact CZ-CD2 3.47Å; Y355-H368 VanDerWaalsContact CZ-CD2 3.47Å; Y355-H368 PolarHBondContact OH-CD2 3.29Å; Y355-Y411 HydrophobicContact CD2-CE1 4.17Å; Y355-E412 HydrophobicContact CG-CG 4.46Å; Y355-E412 PolarHBondContact N-OE2 3.03Å; Y355-R415 HydrophobicContact CD2-CB 3.96Å; Y355-R415 HydrophobicContact CE2-CB 3.73Å; Y355-Q416 HydrophobicContact CE1-CG 4.22Å; Y355-Q416 HydrophobicContact CE2-CG 4.28Å
356	Y	96.1	Very high	94.7	Very high	33 Å²	33	23.4 Å²	23.4	13%	0.129	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.6	175.8	81.3	-80	0	0	0	111.6	S360 P405 L408 R409 E412	Y356-S360 CarbonylContact C-O 3.23Å; Y356-S360 VanDerWaalsContact CA-O 3.22Å; Y356-S360 WeakPolarHBondContact CA-O 3.38Å; Y356-S360 WeakPolarHBondContact CB-O 3.34Å; Y356-P405 HydrophobicContact CE2-CB 4.21Å; Y356-L408 HydrophobicContact CD1-CB 4.29Å; Y356-L408 HydrophobicContact CD2-CB 3.63Å; Y356-L408 HydrophobicContact CD2-CD1 4.13Å; Y356-L408 HydrophobicContact CE2-CB 4.27Å; Y356-L408 HydrophobicContact CG-CB 3.64Å; Y356-R409 HydrophobicContact CE1-CB 3.83Å; Y356-R409 HydrophobicContact CE1-CG 4.33Å; Y356-R409 PolarHBondContact OH-NE 3.39Å; Y356-E412 HydrophobicContact CD1-CB 4.03Å; Y356-E412 WeakPolarHBondContact CD1-OE2 3.38Å; Y356-E412 HydrophobicContact CE1-CB 4.4Å
357	S	94.4	Very high	94.8	Very high	38 Å²	38	21 Å²	21	27%	0.266	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	-165.7	168.9	-166.1	0	0	0	0	108.1	R359 S360	S357-R359 PolarHBondContact O-N 3.13Å; S357-S360 PolarHBondContact N-O 2.76Å; S357-S360 PolarHBondContact O-N 3.48Å
358	D	93.8	Very high	94.9	Very high	61 Å²	61	20.7 Å²	20.7	33%	0.326	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	115.9	178.5	-70.7	-19.2	0	0	0	110.6	F177 G180 S360	F177-D358 WeakPolarHBondContact CD1-O 3.42Å; G180-D358 VanDerWaalsContact CA-CG 3.46Å; G180-D358 WeakPolarHBondContact CA-OD2 3.44Å; G180-D358 PolarHBondContact N-OD2 3.2Å; D358-S360 PolarHBondContact O-N 3.33Å; D358-S360 PolarHBondContact O-OG 2.79Å
359	R	96	Very high	94.9	Very high	18 Å²	18	20.6 Å²	20.6	7%	0.068	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	29.6	-177.8	-62.5	-165.3	171.1	-79.8	-2.9	115.3	P178 L181 G183 R198 L199 L200 S357 D401 A403	P178-R359 HydrophobicContact CG-CG 4.27Å; L181-R359 HydrophobicContact CD2-CG 4.03Å; L181-R359 PolarHBondContact O-NE 3.38Å; L181-R359 PolarHBondContact O-NH2 2.89Å; G183-R359 WeakPolarHBondContact O-CD 3.35Å; G183-R359 PolarHBondContact O-NE 2.76Å; R198-R359 WeakPolarHBondContact O-CB 3.38Å; R198-R359 VanDerWaalsContact O-CD 3.27Å; R198-R359 WeakPolarHBondContact O-CD 3.44Å; R198-R359 WeakPolarHBondContact O-CG 3.43Å; R198-R359 PolarHBondContact O-NH1 2.99Å; L199-R359 WeakPolarHBondContact CA-O 3.21Å; L200-R359 PolarHBondContact N-O 2.83Å; S357-R359 PolarHBondContact O-N 3.13Å; R359-D401 IonicContact CZ-OD2 2.67Å; R359-D401 VanDerWaalsContact CZ-OD2 3.28Å; R359-D401 IonicContact NH1-OD1 3.12Å; R359-D401 IonicContact NH1-OD2 3.25Å; R359-D401 PolarHBondContact NH1-OD2 2.73Å; R359-D401 IonicContact NH2-OD2 3.81Å; R359-D401 PolarHBondContact NH2-OD2 3.43Å; R359-A403 HydrophobicContact CB-CB 4.28Å; R359-A403 HydrophobicContact CG-CB 3.92Å
360	S	96.8	Very high	94.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.4	-175.4	49.2	0	0	0	0	112.9	L200 M214 Y356 S357 D358	L200-S360 CarbonylContact O-C 3.57Å; L200-S360 VanDerWaalsContact O-CA 3.28Å; L200-S360 WeakPolarHBondContact O-CA 3.5Å; M214-S360 WeakPolarHBondContact CE-OG 3.3Å; Y356-S360 CarbonylContact C-O 3.23Å; Y356-S360 VanDerWaalsContact CA-O 3.22Å; Y356-S360 WeakPolarHBondContact CA-O 3.38Å; Y356-S360 WeakPolarHBondContact CB-O 3.34Å; S357-S360 PolarHBondContact N-O 2.76Å; S357-S360 PolarHBondContact O-N 3.48Å; D358-S360 PolarHBondContact O-N 3.33Å; D358-S360 PolarHBondContact O-OG 2.79Å
361	V	98	Very high	94.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.2	179.3	67.3	0	0	0	0	110.8	L199 L200 I201 A202 Y355 L388 L408 Y411	L199-V361 HydrophobicContact CD1-CG1 4.25Å; L200-V361 PolarHBondContact O-N 3.25Å; I201-V361 HydrophobicContact CB-CG1 4.14Å; I201-V361 HydrophobicContact CG1-CG1 3.73Å; I201-V361 HydrophobicContact CG2-CG1 4.15Å; A202-V361 PolarHBondContact N-O 3.33Å; Y355-V361 CarbonylContact O-C 3.56Å; Y355-V361 WeakPolarHBondContact O-CA 3.36Å; Y355-V361 WeakPolarHBondContact O-CG2 3.31Å; V361-L388 HydrophobicContact CG1-CD1 4.28Å; V361-L388 HydrophobicContact CG1-CD2 3.8Å; V361-L388 HydrophobicContact CG2-CD1 4.29Å; V361-L388 HydrophobicContact CG2-CD2 4.47Å; V361-L408 HydrophobicContact CB-CD2 4.39Å; V361-Y411 HydrophobicContact CG2-CD1 3.57Å; V361-Y411 HydrophobicContact CG2-CE1 3.28Å
362	L	98.3	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.7	178.7	-57.2	173	0	0	0	109.8	A202 R211 M214 V216 A352 Y355 A366 A367 Y411	A202-L362 HydrophobicContact CB-CD2 3.85Å; R211-L362 HydrophobicContact CB-CD1 4.07Å; R211-L362 HydrophobicContact CB-CD2 3.75Å; R211-L362 HydrophobicContact CG-CD1 3.73Å; R211-L362 HydrophobicContact CG-CD2 4.36Å; M214-L362 HydrophobicContact CE-CD1 4.32Å; M214-L362 HydrophobicContact CE-CD2 4.1Å; M214-L362 HydrophobicContact CE-CG 3.88Å; M214-L362 HydrophobicContact SD-CD2 3.67Å; M214-L362 HydrophobicContact SD-CG 4.15Å; V216-L362 HydrophobicContact CB-CD1 4.48Å; V216-L362 HydrophobicContact CG1-CD1 4.2Å; V216-L362 HydrophobicContact CG2-CD1 4.46Å; A352-L362 HydrophobicContact CB-CD1 4.07Å; Y355-L362 PolarHBondContact O-N 3.38Å; L362-A366 HydrophobicContact CD2-CB 4.49Å; L362-A367 HydrophobicContact CB-CB 3.71Å; L362-Y411 PolarHBondContact O-OH 2.91Å
363	V	97.8	Very high	91.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.124	C	C	.	.			trans	-135.9	151.3	176.6	-65	0	0	0	0	111.4	V42 I201 A202 A203 A366 D384 L388 Y411	V42-V363 HydrophobicContact CG1-CB 3.97Å; V42-V363 HydrophobicContact CG1-CG2 3.74Å; I201-V363 HydrophobicContact CG2-CG1 4.14Å; I201-V363 HydrophobicContact CG2-CG2 3.85Å; A202-V363 WeakPolarHBondContact O-CG2 3.35Å; A202-V363 PolarHBondContact O-N 2.8Å; A203-V363 HydrophobicContact CB-CG2 3.56Å; V363-A366 WeakPolarHBondContact O-CB 3.27Å; V363-A366 PolarHBondContact O-N 2.8Å; V363-D384 HydrophobicContact CB-CB 4.14Å; V363-D384 HydrophobicContact CG1-CB 4.16Å; V363-L388 HydrophobicContact CG1-CD2 3.73Å; V363-Y411 WeakPolarHBondContact CG1-OH 3.49Å
364	G	95.8	Very high	89.9	Confident	2 Å²	2	23.1 Å²	23.1	2%	0.021	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	59.9	-144.9	178.4	0	0	0	0	0	113.1	A366 A367 H368 D384	G364-A366 PolarHBondContact O-N 2.84Å; G364-A367 WeakPolarHBondContact O-CA 3.41Å; G364-A367 PolarHBondContact O-N 2.83Å; G364-H368 CarbonylContact C-O 3.57Å; G364-H368 PolarHBondContact O-N 2.97Å; G364-D384 WeakPolarHBondContact CA-OD2 3.37Å; G364-D384 PolarHBondContact N-OD2 3.32Å
365	D	93.5	Very high	88.5	Confident	51 Å²	51	19.9 Å²	19.9	27%	0.273	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-57.1	-18.2	179.9	-82.5	33.7	0	0	0	114	G205 Y206 A367 H368 R369	G205-D365 CarbonylContact C-O 3.59Å; Y206-D365 VanDerWaalsContact CA-O 3.31Å; Y206-D365 WeakPolarHBondContact CA-O 3.39Å; D365-A367 VanDerWaalsContact C-N 3.34Å; D365-H368 WeakPolarHBondContact CA-O 3.37Å; D365-R369 IonicContact OD2-NE 2.64Å; D365-R369 PolarHBondContact OD2-NE 3.36Å
366	A	94.1	Very high	87.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-69	-33.1	170.7	0	0	0	0	0	111.9	A202 G205 R211 L362 V363 G364	A202-A366 WeakPolarHBondContact O-CB 3.31Å; G205-A366 VanDerWaalsContact O-CA 3.3Å; G205-A366 WeakPolarHBondContact O-CA 3.25Å; R211-A366 VanDerWaalsContact CD-O 3.28Å; R211-A366 WeakPolarHBondContact CD-O 3.48Å; R211-A366 PolarHBondContact NH1-O 3.13Å; L362-A366 HydrophobicContact CD2-CB 4.49Å; V363-A366 WeakPolarHBondContact O-CB 3.27Å; V363-A366 PolarHBondContact O-N 2.8Å; G364-A366 PolarHBondContact O-N 2.84Å
367	A	93.2	Very high	86.4	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-48.8	174.6	0	0	0	0	0	112.1	A352 Y355 L362 G364 D365	A352-A367 VanDerWaalsContact CB-O 3.3Å; A352-A367 WeakPolarHBondContact CB-O 3.11Å; A352-A367 PolarHBondContact N-O 2.62Å; Y355-A367 HydrophobicContact CD1-CB 4Å; Y355-A367 HydrophobicContact CD2-CB 4.27Å; Y355-A367 HydrophobicContact CE1-CB 4Å; Y355-A367 HydrophobicContact CE2-CB 4.25Å; Y355-A367 HydrophobicContact CG-CB 4.16Å; L362-A367 HydrophobicContact CB-CB 3.71Å; G364-A367 WeakPolarHBondContact O-CA 3.41Å; G364-A367 PolarHBondContact O-N 2.83Å; D365-A367 VanDerWaalsContact C-N 3.34Å
368	H	93.1	Very high	86.2	Confident	3 Å²	3	20 Å²	20	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.3	-171.9	53.7	85	0	0	0	112.1	V350 Y355 G364 D365 D384 V419	V350-H368 CarbonylContact O-C 3.59Å; V350-H368 VanDerWaalsContact O-CA 3.3Å; V350-H368 WeakPolarHBondContact O-CA 3.38Å; Y355-H368 AromaticContact CE2-CD2 3.64Å; Y355-H368 AromaticContact CZ-CD2 3.47Å; Y355-H368 VanDerWaalsContact CZ-CD2 3.47Å; Y355-H368 PolarHBondContact OH-CD2 3.29Å; G364-H368 CarbonylContact C-O 3.57Å; G364-H368 PolarHBondContact O-N 2.97Å; D365-H368 WeakPolarHBondContact CA-O 3.37Å; H368-D384 IonicContact CD2-OD2 2.75Å; H368-D384 IonicContact CE1-OD1 3.16Å; H368-D384 IonicContact CE1-OD2 3.68Å; H368-D384 PolarHBondContact CE1-OD2 2.92Å; H368-D384 VanDerWaalsContact CE1-OD2 3.25Å; H368-D384 VanDerWaalsContact NE2-CG 3.27Å; H368-D384 IonicContact NE2-OD1 3.37Å; H368-D384 PolarHBondContact NE2-OD1 3.33Å; H368-D384 VanDerWaalsContact NE2-OD1 3.12Å; H368-D384 IonicContact NE2-OD2 3.5Å; H368-D384 PolarHBondContact NE2-OD2 3.27Å; H368-V419 HydrophobicContact CB-CG1 3.9Å
369	R	91	Very high	86.2	Confident	45 Å²	45	17.8 Å²	17.8	17%	0.17	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.1	174.5	-166.5	-177.5	-151	-143.9	-11.3	108.2	F349 V350 D365	F349-R369 WeakPolarHBondContact CA-O 3.3Å; V350-R369 HydrophobicContact CB-CB 4.06Å; V350-R369 HydrophobicContact CG2-CB 4.43Å; V350-R369 PolarHBondContact N-O 3.02Å; V350-R369 PolarHBondContact O-N 3.42Å; D365-R369 IonicContact OD2-NE 2.64Å; D365-R369 PolarHBondContact OD2-NE 3.36Å
370	V	86.2	Confident	86	Confident	13 Å²	13	17.5 Å²	17.5	8%	0.079	11%	0.113	C	C	.	.			trans	-109.7	164.5	-175.7	-59.5	0	0	0	0	111.3	L380 A423	V370-L380 HydrophobicContact CG1-CD1 4.03Å; V370-L380 HydrophobicContact CG2-CD1 3.7Å; V370-A423 HydrophobicContact CG1-CB 3.56Å
371	H	80	Confident	86	Confident	6 Å²	6	17.5 Å²	17.5	3%	0.028	11%	0.113	C	C	.	.			trans	-62.1	135.4	175.4	-167.2	-58.4	0	0	0	110.5	Y223 Q225 L373 C426 Y430	Y223-H371 AromaticContact CD1-CD2 3.98Å; Y223-H371 AromaticContact CD2-CD2 3.88Å; Y223-H371 AromaticContact CE1-CD2 3.91Å; Y223-H371 HydrophobicContact CE2-CB 3.94Å; Y223-H371 AromaticContact CE2-CD2 3.82Å; Y223-H371 AromaticContact CG-CD2 3.96Å; Y223-H371 AromaticContact CZ-CD2 3.83Å; Q225-H371 PolarHBondContact OE1-NE2 3.48Å; H371-L373 WeakPolarHBondContact ND1-CG 3.32Å; H371-L373 PolarHBondContact ND1-N 2.99Å; H371-L373 PolarHBondContact O-N 3.3Å; H371-C426 HydrophobicContact CB-CB 4.44Å; H371-Y430 AromaticContact NE2-CD2 3.72Å
372	P	72.1	Confident	85.9	Confident	58 Å²	58	17.6 Å²	17.6	38%	0.377	11%	0.114	S	C	.	.			trans	-73.4	21.7	-176.4	30.7	-38.9	0	0	0	115.4	L347 A374 G375	L347-P372 HydrophobicContact CD1-CG 4.2Å; L347-P372 HydrophobicContact CD2-CG 3.5Å; L347-P372 HydrophobicContact CG-CG 4.48Å; P372-A374 PolarHBondContact O-N 2.88Å; P372-G375 PolarHBondContact O-N 3.45Å; P372-G375 VanDerWaalsContact O-N 3.07Å
373	L	66.9	Low	85.7	Confident	11 Å²	11	17.7 Å²	17.7	6%	0.058	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.6	-172.9	-85.6	-179	0	0	0	114.5	Q246 F248 T253 H371 C426 L429	Q246-L373 PolarHBondContact NE2-O 3.13Å; Q246-L373 PolarHBondContact OE1-O 3.32Å; F248-L373 HydrophobicContact CE1-CD1 4.42Å; F248-L373 HydrophobicContact CE1-CD2 3.76Å; F248-L373 HydrophobicContact CZ-CD2 4.37Å; T253-L373 HydrophobicContact CG2-CD2 3.23Å; H371-L373 WeakPolarHBondContact ND1-CG 3.32Å; H371-L373 PolarHBondContact ND1-N 2.99Å; H371-L373 PolarHBondContact O-N 3.3Å; L373-C426 HydrophobicContact CD1-CB 4.44Å; L373-C426 WeakPolarHBondContact CD1-O 3.1Å; L373-L429 HydrophobicContact CD1-CB 4Å
374	A	57.9	Low	85.7	Confident	49 Å²	49	17.6 Å²	17.6	41%	0.405	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	16.3	-178.7	0	0	0	0	0	112.8	P372 L376	P372-A374 PolarHBondContact O-N 2.88Å; A374-L376 HydrophobicContact CB-CD1 3.66Å; A374-L376 HydrophobicContact CB-CD2 4.33Å; A374-L376 HydrophobicContact CB-CG 3.57Å; A374-L376 WeakPolarHBondContact O-CG 3.24Å; A374-L376 PolarHBondContact O-N 2.95Å; A374-L376 VanDerWaalsContact O-N 3.07Å
375	G	67.2	Low	85.8	Confident	28 Å²	28	17.5 Å²	17.5	29%	0.289	11%	0.113	S	C	.	.	S	Bend	trans	61.6	17.6	-176.6	0	0	0	0	0	114.2	P372 G377 N379	P372-G375 PolarHBondContact O-N 3.45Å; P372-G375 VanDerWaalsContact O-N 3.07Å; G375-G377 PolarHBondContact O-N 2.86Å; G375-N379 PolarHBondContact O-ND2 3.33Å
376	L	67.8	Low	85.9	Confident	31 Å²	31	17.6 Å²	17.6	16%	0.162	11%	0.112	C	C	.	.			trans	-79.4	-13.8	-167.9	-63.7	175.4	0	0	0	114.7	A374 V378 N379 L380 I422	A374-L376 HydrophobicContact CB-CD1 3.66Å; A374-L376 HydrophobicContact CB-CD2 4.33Å; A374-L376 HydrophobicContact CB-CG 3.57Å; A374-L376 WeakPolarHBondContact O-CG 3.24Å; A374-L376 PolarHBondContact O-N 2.95Å; A374-L376 VanDerWaalsContact O-N 3.07Å; L376-V378 PolarHBondContact O-N 2.77Å; L376-N379 WeakPolarHBondContact O-CB 3.37Å; L376-N379 PolarHBondContact O-N 2.96Å; L376-L380 PolarHBondContact O-N 3.09Å; L376-I422 HydrophobicContact CD1-CG2 3.85Å
377	G	81	Confident	86.1	Confident	24 Å²	24	17.7 Å²	17.7	25%	0.247	11%	0.113	C	C	.	.	H	α-helix	trans	-52.2	-51.8	-168.6	0	0	0	0	0	113.4	G375 N379 L380 G381	G375-G377 PolarHBondContact O-N 2.86Å; G377-N379 VanDerWaalsContact C-N 3.34Å; G377-N379 PolarHBondContact O-N 2.78Å; G377-L380 PolarHBondContact O-N 2.66Å; G377-G381 PolarHBondContact O-N 2.72Å
378	V	90.6	Very high	86.3	Confident	19 Å²	19	17.7 Å²	17.7	12%	0.115	11%	0.113	C	C	.	.	H	α-helix	trans	-68.4	-33.3	179.7	77.5	0	0	0	0	112.8	M41 C85 I87 L376 L380 G381 F382	M41-V378 HydrophobicContact CB-CG2 4.14Å; M41-V378 HydrophobicContact CE-CB 4.2Å; M41-V378 HydrophobicContact CE-CG2 3.53Å; M41-V378 HydrophobicContact SD-CG2 3.87Å; C85-V378 HydrophobicContact CB-CG1 3.75Å; I87-V378 HydrophobicContact CD1-CG1 3.62Å; L376-V378 PolarHBondContact O-N 2.77Å; V378-L380 VanDerWaalsContact C-N 3.28Å; V378-L380 PolarHBondContact O-N 2.94Å; V378-G381 WeakPolarHBondContact O-CA 3.39Å; V378-G381 PolarHBondContact O-N 3.43Å; V378-G381 VanDerWaalsContact O-N 3.11Å; V378-F382 HydrophobicContact CB-CE2 4.28Å; V378-F382 HydrophobicContact CG1-CD2 4.49Å; V378-F382 HydrophobicContact CG1-CE2 4Å; V378-F382 HydrophobicContact CG2-CD2 4.12Å; V378-F382 HydrophobicContact CG2-CE1 4.29Å; V378-F382 HydrophobicContact CG2-CE2 3.46Å; V378-F382 VanDerWaalsContact CG2-CE2 3.46Å; V378-F382 HydrophobicContact CG2-CZ 3.55Å; V378-F382 WeakPolarHBondContact O-CD2 3.43Å; V378-F382 PolarHBondContact O-N 3.03Å
379	N	93	Very high	86.6	Confident	15 Å²	15	18 Å²	18	8%	0.08	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	-38	177.4	-62.9	-77.1	0	0	0	111	A86 S88 S91 G375 L376 G377 G381 F382 G383	A86-N379 PolarHBondContact O-ND2 3.2Å; S88-N379 PolarHBondContact N-OD1 3.4Å; S88-N379 PolarHBondContact OG-OD1 2.79Å; S88-N379 VanDerWaalsContact OG-OD1 3.1Å; S91-N379 WeakPolarHBondContact CB-OD1 3.42Å; S91-N379 PolarHBondContact OG-OD1 3.06Å; G375-N379 PolarHBondContact O-ND2 3.33Å; L376-N379 WeakPolarHBondContact O-CB 3.37Å; L376-N379 PolarHBondContact O-N 2.96Å; G377-N379 VanDerWaalsContact C-N 3.34Å; G377-N379 PolarHBondContact O-N 2.78Å; N379-G381 VanDerWaalsContact C-N 3.34Å; N379-F382 PolarHBondContact O-N 3.15Å; N379-G383 PolarHBondContact O-N 2.85Å
380	L	92.4	Very high	86.8	Confident	11 Å²	11	22.4 Å²	22.4	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-43.2	173.4	-62.6	177.3	0	0	0	111.2	V370 L376 G377 V378 G383 D384 R415 V419 I422	V370-L380 HydrophobicContact CG1-CD1 4.03Å; V370-L380 HydrophobicContact CG2-CD1 3.7Å; L376-L380 PolarHBondContact O-N 3.09Å; G377-L380 PolarHBondContact O-N 2.66Å; V378-L380 VanDerWaalsContact C-N 3.28Å; V378-L380 PolarHBondContact O-N 2.94Å; L380-G383 PolarHBondContact O-N 3.1Å; L380-D384 VanDerWaalsContact O-CG 3.31Å; L380-D384 PolarHBondContact O-N 3.47Å; L380-R415 PolarHBondContact O-NH2 2.82Å; L380-V419 HydrophobicContact CD1-CG1 4.46Å; L380-V419 HydrophobicContact CD2-CG2 4.28Å; L380-I422 HydrophobicContact CD1-CG2 4.49Å; L380-I422 HydrophobicContact CD2-CD1 3.68Å
381	G	95.2	Very high	87.4	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-40.3	175.4	0	0	0	0	0	113.6	G377 V378 N379 G383 D384 V385	G377-G381 PolarHBondContact O-N 2.72Å; V378-G381 WeakPolarHBondContact O-CA 3.39Å; V378-G381 PolarHBondContact O-N 3.43Å; V378-G381 VanDerWaalsContact O-N 3.11Å; N379-G381 VanDerWaalsContact C-N 3.34Å; G381-G383 VanDerWaalsContact C-N 3.33Å; G381-D384 VanDerWaalsContact O-CB 3.31Å; G381-D384 WeakPolarHBondContact O-CB 3.5Å; G381-D384 PolarHBondContact O-N 3.14Å; G381-V385 PolarHBondContact O-N 3.02Å; G381-V385 VanDerWaalsContact O-N 3.15Å
382	F	96.1	Very high	88.2	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-36.3	172.7	-65.1	-43.1	0	0	0	112.4	M41 A45 I87 F94 F95 I150 V378 N379 D384 V385 Q386	M41-F382 HydrophobicContact CB-CE1 4.25Å; M41-F382 HydrophobicContact CB-CZ 4.14Å; A45-F382 HydrophobicContact CB-CD1 3.84Å; A45-F382 HydrophobicContact CB-CE1 3.86Å; I87-F382 HydrophobicContact CD1-CE2 4.05Å; F94-F382 HydrophobicContact CD1-CB 3.94Å; F94-F382 HydrophobicContact CD1-CD1 4.49Å; F94-F382 HydrophobicContact CD1-CG 4.38Å; F94-F382 HydrophobicContact CE1-CB 4.2Å; F94-F382 HydrophobicContact CE1-CD1 4.23Å; F95-F382 HydrophobicContact CE1-CD1 4.16Å; F95-F382 AromaticContact CE1-CD2 3.91Å; F95-F382 HydrophobicContact CE1-CD2 3.91Å; F95-F382 AromaticContact CE1-CE1 3.95Å; F95-F382 HydrophobicContact CE1-CE1 3.95Å; F95-F382 AromaticContact CE1-CE2 3.68Å; F95-F382 HydrophobicContact CE1-CE2 3.68Å; F95-F382 HydrophobicContact CE1-CG 4.16Å; F95-F382 AromaticContact CE1-CZ 3.71Å; F95-F382 HydrophobicContact CE1-CZ 3.71Å; F95-F382 AromaticContact CZ-CD2 3.99Å; F95-F382 HydrophobicContact CZ-CD2 3.99Å; F95-F382 HydrophobicContact CZ-CE1 4.31Å; F95-F382 AromaticContact CZ-CE2 3.41Å; F95-F382 HydrophobicContact CZ-CE2 3.41Å; F95-F382 VanDerWaalsContact CZ-CE2 3.41Å; F95-F382 AromaticContact CZ-CZ 3.6Å; F95-F382 HydrophobicContact CZ-CZ 3.6Å; I150-F382 HydrophobicContact CG2-CZ 4.05Å; V378-F382 HydrophobicContact CB-CE2 4.28Å; V378-F382 HydrophobicContact CG1-CD2 4.49Å; V378-F382 HydrophobicContact CG1-CE2 4Å; V378-F382 HydrophobicContact CG2-CD2 4.12Å; V378-F382 HydrophobicContact CG2-CE1 4.29Å; V378-F382 HydrophobicContact CG2-CE2 3.46Å; V378-F382 VanDerWaalsContact CG2-CE2 3.46Å; V378-F382 HydrophobicContact CG2-CZ 3.55Å; V378-F382 WeakPolarHBondContact O-CD2 3.43Å; V378-F382 PolarHBondContact O-N 3.03Å; N379-F382 PolarHBondContact O-N 3.15Å; F382-D384 VanDerWaalsContact C-N 3.26Å; F382-D384 PolarHBondContact O-N 2.88Å; F382-V385 PolarHBondContact O-N 3.47Å; F382-Q386 PolarHBondContact O-N 2.95Å
383	G	95	Very high	89.5	Confident	2 Å²	2	21.5 Å²	21.5	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-34.3	171.3	0	0	0	0	0	112.7	N379 L380 G381 A387 R415	N379-G383 PolarHBondContact O-N 2.85Å; L380-G383 PolarHBondContact O-N 3.1Å; G381-G383 VanDerWaalsContact C-N 3.33Å; G383-A387 WeakPolarHBondContact O-CB 3.47Å; G383-A387 PolarHBondContact O-N 3.36Å; G383-R415 PolarHBondContact O-NH1 2.84Å
384	D	97.2	Very high	90.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-50	173.1	-59.9	-23.3	0	0	0	111.1	V363 G364 H368 L380 G381 F382 Q386 A387 L388 Y411 R415	V363-D384 HydrophobicContact CB-CB 4.14Å; V363-D384 HydrophobicContact CG1-CB 4.16Å; G364-D384 WeakPolarHBondContact CA-OD2 3.37Å; G364-D384 PolarHBondContact N-OD2 3.32Å; H368-D384 IonicContact CD2-OD2 2.75Å; H368-D384 IonicContact CE1-OD1 3.16Å; H368-D384 IonicContact CE1-OD2 3.68Å; H368-D384 PolarHBondContact CE1-OD2 2.92Å; H368-D384 VanDerWaalsContact CE1-OD2 3.25Å; H368-D384 VanDerWaalsContact NE2-CG 3.27Å; H368-D384 IonicContact NE2-OD1 3.37Å; H368-D384 PolarHBondContact NE2-OD1 3.33Å; H368-D384 VanDerWaalsContact NE2-OD1 3.12Å; H368-D384 IonicContact NE2-OD2 3.5Å; H368-D384 PolarHBondContact NE2-OD2 3.27Å; L380-D384 VanDerWaalsContact O-CG 3.31Å; L380-D384 PolarHBondContact O-N 3.47Å; G381-D384 VanDerWaalsContact O-CB 3.31Å; G381-D384 WeakPolarHBondContact O-CB 3.5Å; G381-D384 PolarHBondContact O-N 3.14Å; F382-D384 VanDerWaalsContact C-N 3.26Å; F382-D384 PolarHBondContact O-N 2.88Å; D384-Q386 VanDerWaalsContact C-N 3.32Å; D384-Q386 PolarHBondContact O-N 3.34Å; D384-A387 PolarHBondContact O-N 3.49Å; D384-L388 VanDerWaalsContact O-CB 3.26Å; D384-L388 WeakPolarHBondContact O-CB 3.34Å; D384-L388 PolarHBondContact O-N 2.78Å; D384-Y411 HydrophobicContact CB-CE2 4.23Å; D384-Y411 WeakPolarHBondContact CB-OH 3.42Å; D384-Y411 WeakPolarHBondContact O-CE2 3.4Å; D384-R415 IonicContact OD1-CZ 3.47Å; D384-R415 IonicContact OD1-NE 3.34Å; D384-R415 PolarHBondContact OD1-NE 3.18Å; D384-R415 IonicContact OD1-NH2 3.04Å; D384-R415 PolarHBondContact OD1-NH2 3.06Å
385	V	98.1	Very high	92.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.6	-46.7	178.5	178.3	0	0	0	0	110.6	V42 A45 M46 A49 F94 G381 F382 A387 L388 S389	V42-V385 HydrophobicContact CG1-CG2 3.75Å; V42-V385 WeakPolarHBondContact O-CG2 3.33Å; A45-V385 HydrophobicContact CB-CG1 4.39Å; A45-V385 HydrophobicContact CB-CG2 4.17Å; M46-V385 HydrophobicContact CB-CG1 4.19Å; M46-V385 HydrophobicContact CB-CG2 4.14Å; M46-V385 HydrophobicContact SD-CG1 3.9Å; A49-V385 HydrophobicContact CB-CG1 4.01Å; F94-V385 HydrophobicContact CE1-CB 4.34Å; F94-V385 HydrophobicContact CE1-CG1 4.28Å; F94-V385 HydrophobicContact CE2-CG1 4.49Å; F94-V385 HydrophobicContact CZ-CB 4.02Å; F94-V385 HydrophobicContact CZ-CG1 3.59Å; G381-V385 PolarHBondContact O-N 3.02Å; G381-V385 VanDerWaalsContact O-N 3.15Å; F382-V385 PolarHBondContact O-N 3.47Å; V385-A387 PolarHBondContact O-N 3.48Å; V385-L388 PolarHBondContact O-N 3.28Å; V385-S389 VanDerWaalsContact O-CB 3.31Å; V385-S389 WeakPolarHBondContact O-CB 3.39Å; V385-S389 PolarHBondContact O-N 2.69Å; V385-S389 PolarHBondContact O-OG 2.84Å
386	Q	96.7	Very high	94.2	Very high	52 Å²	52	21.7 Å²	21.7	24%	0.243	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-46.9	179.2	-174.6	175.8	51.7	0	0	112.1	F94 F382 D384 R390	F94-Q386 HydrophobicContact CD2-CB 4.02Å; F94-Q386 HydrophobicContact CD2-CG 4.17Å; F94-Q386 HydrophobicContact CE2-CB 4.1Å; F382-Q386 PolarHBondContact O-N 2.95Å; D384-Q386 VanDerWaalsContact C-N 3.32Å; D384-Q386 PolarHBondContact O-N 3.34Å; Q386-R390 PolarHBondContact O-N 2.56Å
387	A	97.1	Very high	95.6	Very high	3 Å²	3	24 Å²	24	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-40.9	179.5	0	0	0	0	0	112.1	G383 D384 V385 R390 V391 Y411 I414 R415	G383-A387 WeakPolarHBondContact O-CB 3.47Å; G383-A387 PolarHBondContact O-N 3.36Å; D384-A387 PolarHBondContact O-N 3.49Å; V385-A387 PolarHBondContact O-N 3.48Å; A387-R390 PolarHBondContact O-N 3.35Å; A387-V391 WeakPolarHBondContact O-CB 3.25Å; A387-V391 WeakPolarHBondContact O-CG2 3.4Å; A387-V391 PolarHBondContact O-N 2.83Å; A387-Y411 HydrophobicContact CB-CD2 4.11Å; A387-Y411 HydrophobicContact CB-CE2 4.45Å; A387-I414 HydrophobicContact CB-CG2 4.25Å; A387-R415 VanDerWaalsContact CB-CD 3.49Å; A387-R415 HydrophobicContact CB-CG 4.22Å
388	L	98.3	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-48.4	179.3	-177.8	57.8	0	0	0	110.4	M46 I201 V361 V363 D384 V385 R390 V391 L392 L408 Y411	M46-L388 HydrophobicContact SD-CD2 4Å; M46-L388 HydrophobicContact SD-CG 4.4Å; I201-L388 HydrophobicContact CD1-CD2 3.92Å; I201-L388 HydrophobicContact CG1-CD2 4.23Å; I201-L388 HydrophobicContact CG2-CD2 4.01Å; V361-L388 HydrophobicContact CG1-CD1 4.28Å; V361-L388 HydrophobicContact CG1-CD2 3.8Å; V361-L388 HydrophobicContact CG2-CD1 4.29Å; V361-L388 HydrophobicContact CG2-CD2 4.47Å; V363-L388 HydrophobicContact CG1-CD2 3.73Å; D384-L388 VanDerWaalsContact O-CB 3.26Å; D384-L388 WeakPolarHBondContact O-CB 3.34Å; D384-L388 PolarHBondContact O-N 2.78Å; V385-L388 PolarHBondContact O-N 3.28Å; L388-R390 VanDerWaalsContact C-N 3.31Å; L388-R390 PolarHBondContact O-N 3.49Å; L388-V391 PolarHBondContact O-N 2.98Å; L388-L392 HydrophobicContact CD1-CD1 4.11Å; L388-L392 HydrophobicContact CD1-CD2 4.37Å; L388-L392 HydrophobicContact CD1-CG 4Å; L388-L392 HydrophobicContact CG-CD1 3.93Å; L388-L392 HydrophobicContact CG-CG 4.25Å; L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.27Å; L388-L392 PolarHBondContact O-N 3.19Å; L388-L408 HydrophobicContact CD1-CD2 4.41Å; L388-Y411 HydrophobicContact CB-CD2 3.75Å; L388-Y411 HydrophobicContact CB-CE2 3.74Å; L388-Y411 HydrophobicContact CB-CG 4.5Å; L388-Y411 HydrophobicContact CD1-CD1 4.4Å; L388-Y411 HydrophobicContact CD1-CD2 4.18Å; L388-Y411 HydrophobicContact CD1-CG 4.09Å
389	S	97.9	Very high	96.6	Very high	8 Å²	8	28.2 Å²	28.2	6%	0.056	17%	0.167	C	C	.	.	H	α-helix	trans	-53.6	-48.8	175.2	-67.3	0	0	0	0	111.2	A49 V385 V391 L392 E393	A49-S389 VanDerWaalsContact CB-OG 3.26Å; A49-S389 WeakPolarHBondContact CB-OG 3.16Å; V385-S389 VanDerWaalsContact O-CB 3.31Å; V385-S389 WeakPolarHBondContact O-CB 3.39Å; V385-S389 PolarHBondContact O-N 2.69Å; V385-S389 PolarHBondContact O-OG 2.84Å; S389-V391 PolarHBondContact O-N 3Å; S389-L392 PolarHBondContact O-N 2.85Å; S389-E393 WeakPolarHBondContact O-CB 3.47Å; S389-E393 WeakPolarHBondContact O-CG 3.47Å; S389-E393 PolarHBondContact O-N 3.27Å
390	R	97	Very high	96.7	Very high	139 Å²	139	32.4 Å²	32.4	53%	0.525	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-45.9	178.5	-170.7	177	-168.2	162.9	5.8	112.6	Q386 A387 L388 L392 E393 E394	Q386-R390 PolarHBondContact O-N 2.56Å; A387-R390 PolarHBondContact O-N 3.35Å; L388-R390 VanDerWaalsContact C-N 3.31Å; L388-R390 PolarHBondContact O-N 3.49Å; R390-L392 VanDerWaalsContact C-N 3.35Å; R390-L392 PolarHBondContact O-N 3.06Å; R390-E393 PolarHBondContact O-N 2.87Å; R390-E394 WeakPolarHBondContact O-CG 3.46Å; R390-E394 PolarHBondContact O-N 2.86Å
391	V	97.6	Very high	96.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-39.6	179.3	164.1	0	0	0	0	111.7	A387 L388 S389 E394 A395 Y407 K410	A387-V391 WeakPolarHBondContact O-CB 3.25Å; A387-V391 WeakPolarHBondContact O-CG2 3.4Å; A387-V391 PolarHBondContact O-N 2.83Å; L388-V391 PolarHBondContact O-N 2.98Å; S389-V391 PolarHBondContact O-N 3Å; V391-E394 PolarHBondContact O-N 3.45Å; V391-A395 PolarHBondContact O-N 2.94Å; V391-A395 VanDerWaalsContact O-N 3.07Å; V391-Y407 HydrophobicContact CG1-CD1 4.16Å; V391-Y407 HydrophobicContact CG1-CG 4.4Å; V391-Y407 WeakPolarHBondContact CG1-O 3.31Å; V391-Y407 WeakPolarHBondContact O-CD1 3.28Å; V391-K410 HydrophobicContact CG2-CD 4.34Å; V391-K410 HydrophobicContact CG2-CG 4.31Å
392	L	98.1	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.5	-40.1	175.9	-66.6	177.8	0	0	0	111.7	I34 M46 L56 L199 I201 L388 S389 R390 E394 A395 I396 I402	I34-L392 HydrophobicContact CD1-CD1 4.47Å; M46-L392 HydrophobicContact CE-CD1 4.15Å; L56-L392 HydrophobicContact CD2-CB 3.76Å; L56-L392 HydrophobicContact CD2-CD1 4.37Å; L199-L392 HydrophobicContact CD2-CD1 4.15Å; L199-L392 HydrophobicContact CD2-CD2 3.65Å; I201-L392 HydrophobicContact CD1-CD1 4.32Å; L388-L392 HydrophobicContact CD1-CD1 4.11Å; L388-L392 HydrophobicContact CD1-CD2 4.37Å; L388-L392 HydrophobicContact CD1-CG 4Å; L388-L392 HydrophobicContact CG-CD1 3.93Å; L388-L392 HydrophobicContact CG-CG 4.25Å; L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.27Å; L388-L392 PolarHBondContact O-N 3.19Å; S389-L392 PolarHBondContact O-N 2.85Å; R390-L392 VanDerWaalsContact C-N 3.35Å; R390-L392 PolarHBondContact O-N 3.06Å; L392-E394 VanDerWaalsContact C-N 3.33Å; L392-E394 PolarHBondContact O-N 3.08Å; L392-A395 PolarHBondContact O-N 2.89Å; L392-I396 VanDerWaalsContact O-CG1 3.27Å; L392-I396 WeakPolarHBondContact O-CG1 3.38Å; L392-I396 PolarHBondContact O-N 3Å; L392-I402 HydrophobicContact CD2-CB 4.22Å; L392-I402 VanDerWaalsContact CD2-O 3.29Å; L392-I402 WeakPolarHBondContact CD2-O 3.39Å
393	E	97.6	Very high	96.9	Very high	55 Å²	55	33.5 Å²	33.5	26%	0.257	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-40.4	174.6	-72.7	174.3	175	0	0	112.2	S53 L55 L56 S389 R390 I396 S397	S53-E393 WeakPolarHBondContact CB-OE1 3.16Å; S53-E393 PolarHBondContact OG-OE1 2.99Å; L55-E393 HydrophobicContact CB-CB 4.37Å; L55-E393 HydrophobicContact CB-CG 4.04Å; L55-E393 HydrophobicContact CD1-CB 3.81Å; L55-E393 HydrophobicContact CD1-CG 4.21Å; L56-E393 HydrophobicContact CD1-CG 4.35Å; L56-E393 HydrophobicContact CD2-CG 4.42Å; L56-E393 HydrophobicContact CG-CG 3.96Å; S389-E393 WeakPolarHBondContact O-CB 3.47Å; S389-E393 WeakPolarHBondContact O-CG 3.47Å; S389-E393 PolarHBondContact O-N 3.27Å; R390-E393 PolarHBondContact O-N 2.87Å; E393-I396 PolarHBondContact O-N 2.83Å; E393-S397 WeakPolarHBondContact O-CB 3.47Å; E393-S397 PolarHBondContact O-N 3.31Å; E393-S397 PolarHBondContact O-OG 2.83Å
394	E	97.3	Very high	96.9	Very high	61 Å²	61	33.9 Å²	33.9	29%	0.285	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-42.1	173.7	-71.7	173.6	-172.6	0	0	111.9	R390 V391 L392 S397 A398 Y407 K410	R390-E394 WeakPolarHBondContact O-CG 3.46Å; R390-E394 PolarHBondContact O-N 2.86Å; V391-E394 PolarHBondContact O-N 3.45Å; L392-E394 VanDerWaalsContact C-N 3.33Å; L392-E394 PolarHBondContact O-N 3.08Å; E394-S397 PolarHBondContact O-N 2.62Å; E394-A398 WeakPolarHBondContact O-CB 3.21Å; E394-A398 PolarHBondContact O-N 2.86Å; E394-Y407 HydrophobicContact CB-CD1 4.35Å; E394-Y407 HydrophobicContact CB-CE1 3.85Å; E394-K410 VanDerWaalsContact CD-NZ 3.3Å; E394-K410 IonicContact OE1-NZ 2.86Å; E394-K410 PolarHBondContact OE1-NZ 3.33Å; E394-K410 IonicContact OE2-NZ 3.28Å; E394-K410 PolarHBondContact OE2-NZ 3.45Å
395	A	97.1	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-46.6	176.4	0	0	0	0	0	111.5	V391 L392 S397 A398 G399 E400 Y407	V391-A395 PolarHBondContact O-N 2.94Å; V391-A395 VanDerWaalsContact O-N 3.07Å; L392-A395 PolarHBondContact O-N 2.89Å; A395-S397 VanDerWaalsContact C-N 3.34Å; A395-S397 PolarHBondContact O-N 2.86Å; A395-A398 PolarHBondContact O-N 3.07Å; A395-G399 PolarHBondContact O-N 3.49Å; A395-G399 VanDerWaalsContact O-N 3.11Å; A395-E400 HydrophobicContact CB-CB 4.44Å; A395-E400 PolarHBondContact O-N 3.12Å; A395-Y407 HydrophobicContact CB-CD1 3.81Å; A395-Y407 HydrophobicContact CB-CD2 3.93Å; A395-Y407 HydrophobicContact CB-CE1 3.95Å; A395-Y407 HydrophobicContact CB-CE2 4.07Å; A395-Y407 HydrophobicContact CB-CG 3.78Å
396	I	97.3	Very high	96.7	Very high	31 Å²	31	41.3 Å²	41.3	16%	0.159	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-44.8	177.2	-68.2	165	0	0	0	110.7	L56 Q59 L392 E393 A398 G399 I402	L56-I396 HydrophobicContact CD2-CD1 3.68Å; Q59-I396 HydrophobicContact CG-CD1 3.64Å; Q59-I396 HydrophobicContact CG-CG1 4.46Å; L392-I396 VanDerWaalsContact O-CG1 3.27Å; L392-I396 WeakPolarHBondContact O-CG1 3.38Å; L392-I396 PolarHBondContact O-N 3Å; E393-I396 PolarHBondContact O-N 2.83Å; I396-A398 VanDerWaalsContact C-N 3.25Å; I396-A398 PolarHBondContact O-N 3.19Å; I396-G399 PolarHBondContact O-N 3.42Å; I396-I402 HydrophobicContact CD1-CG2 4.21Å; I396-I402 HydrophobicContact CG1-CG2 3.71Å
397	S	96.8	Very high	96.7	Very high	80 Å²	80	40.7 Å²	40.7	56%	0.559	24%	0.237	S	C	*	.	H	α-helix	trans	-64.3	-30.9	179.4	-59.6	0	0	0	0	112.7	L55 E393 E394 A395 G399	L55-S397 WeakPolarHBondContact CD1-OG 3.25Å; E393-S397 WeakPolarHBondContact O-CB 3.47Å; E393-S397 PolarHBondContact O-N 3.31Å; E393-S397 PolarHBondContact O-OG 2.83Å; E394-S397 PolarHBondContact O-N 2.62Å; A395-S397 VanDerWaalsContact C-N 3.34Å; A395-S397 PolarHBondContact O-N 2.86Å; S397-G399 VanDerWaalsContact C-N 3.32Å
398	A	96.7	Very high	96.7	Very high	61 Å²	61	40.6 Å²	40.6	50%	0.504	24%	0.236	S	C	.	.	H	α-helix	trans	-81.7	-8.5	174.6	0	0	0	0	0	113.6	E394 A395 I396 E400 Y407	E394-A398 WeakPolarHBondContact O-CB 3.21Å; E394-A398 PolarHBondContact O-N 2.86Å; A395-A398 PolarHBondContact O-N 3.07Å; I396-A398 VanDerWaalsContact C-N 3.25Å; I396-A398 PolarHBondContact O-N 3.19Å; A398-E400 VanDerWaalsContact C-N 3.27Å; A398-E400 HydrophobicContact CB-CG 4.02Å; A398-Y407 WeakPolarHBondContact CB-OH 3.27Å
399	G	95.7	Very high	96.7	Very high	70 Å²	70	47.6 Å²	47.6	72%	0.722	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	18.8	-173.9	0	0	0	0	0	113.9	A395 I396 S397	A395-G399 PolarHBondContact O-N 3.49Å; A395-G399 VanDerWaalsContact O-N 3.11Å; I396-G399 PolarHBondContact O-N 3.42Å; S397-G399 VanDerWaalsContact C-N 3.32Å
400	E	95.4	Very high	96.7	Very high	104 Å²	104	51.5 Å²	51.5	49%	0.486	28%	0.278	S	S	.	.			trans	-85.1	163.9	-179	-75.3	-77.2	177.5	0	0	111.8	A395 A398 I402 Y407	A395-E400 HydrophobicContact CB-CB 4.44Å; A395-E400 PolarHBondContact O-N 3.12Å; A398-E400 VanDerWaalsContact C-N 3.27Å; A398-E400 HydrophobicContact CB-CG 4.02Å; E400-I402 PolarHBondContact O-N 3.02Å; E400-Y407 HydrophobicContact CB-CE2 3.83Å; E400-Y407 HydrophobicContact CG-CE2 3.91Å
401	D	95.3	Very high	96.7	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.171	25%	0.253	C	S	.	.			trans	-65.7	129.5	172	-165.9	-4	0	0	0	109.8	R198 R359 A403 S404	R198-D401 IonicContact CZ-OD1 2.68Å; R198-D401 IonicContact NE-OD1 3.24Å; R198-D401 IonicContact NH2-OD1 3.79Å; R198-D401 PolarHBondContact NH2-OD1 2.87Å; R359-D401 IonicContact CZ-OD2 2.67Å; R359-D401 VanDerWaalsContact CZ-OD2 3.28Å; R359-D401 IonicContact NH1-OD1 3.12Å; R359-D401 IonicContact NH1-OD2 3.25Å; R359-D401 PolarHBondContact NH1-OD2 2.73Å; R359-D401 IonicContact NH2-OD2 3.81Å; R359-D401 PolarHBondContact NH2-OD2 3.43Å; D401-A403 PolarHBondContact O-N 2.78Å; D401-A403 VanDerWaalsContact O-N 3.1Å; D401-A403 PolarHBondContact OD1-N 3.01Å; D401-S404 WeakPolarHBondContact O-CB 3.45Å; D401-S404 PolarHBondContact O-N 3.04Å
402	I	96.1	Very high	96.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.2	176.7	55.3	168.2	0	0	0	112.8	D33 I34 R198 L199 L392 I396 E400	D33-I402 HydrophobicContact CB-CD1 4Å; D33-I402 WeakPolarHBondContact O-CD1 3.23Å; I34-I402 HydrophobicContact CD1-CD1 4.32Å; I34-I402 HydrophobicContact CG1-CD1 3.65Å; R198-I402 HydrophobicContact CB-CD1 4.31Å; R198-I402 HydrophobicContact CB-CG1 4.49Å; L199-I402 HydrophobicContact CB-CD1 3.94Å; L199-I402 HydrophobicContact CB-CG1 4.24Å; L392-I402 HydrophobicContact CD2-CB 4.22Å; L392-I402 VanDerWaalsContact CD2-O 3.29Å; L392-I402 WeakPolarHBondContact CD2-O 3.39Å; I396-I402 HydrophobicContact CD1-CG2 4.21Å; I396-I402 HydrophobicContact CG1-CG2 3.71Å; E400-I402 PolarHBondContact O-N 3.02Å
403	A	96.7	Very high	96.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10	174.3	0	0	0	0	0	113.8	L181 R198 L199 R359 D401 P405	L181-A403 HydrophobicContact CD2-CB 4.27Å; R198-A403 WeakPolarHBondContact O-CB 3.39Å; L199-A403 HydrophobicContact CB-CB 4.42Å; L199-A403 HydrophobicContact CD1-CB 4.34Å; R359-A403 HydrophobicContact CB-CB 4.28Å; R359-A403 HydrophobicContact CG-CB 3.92Å; D401-A403 PolarHBondContact O-N 2.78Å; D401-A403 VanDerWaalsContact O-N 3.1Å; D401-A403 PolarHBondContact OD1-N 3.01Å; A403-P405 WeakPolarHBondContact O-CD 3.44Å
404	S	95.2	Very high	96.6	Very high	11 Å²	11	48.3 Å²	48.3	8%	0.077	28%	0.275	C	S	.	.			trans	-57.3	125.2	-177.8	172.9	0	0	0	0	111.2	D401 T406 Y407 L408	D401-S404 WeakPolarHBondContact O-CB 3.45Å; D401-S404 PolarHBondContact O-N 3.04Å; S404-T406 PolarHBondContact O-N 3.02Å; S404-T406 VanDerWaalsContact O-N 3.11Å; S404-Y407 PolarHBondContact O-N 3.17Å; S404-L408 PolarHBondContact O-N 3.45Å
405	P	95.4	Very high	96.5	Very high	48 Å²	48	45.4 Å²	45.4	31%	0.312	26%	0.262	S	S	.	.	H	α-helix	trans	-57.1	-28.8	179.2	-28	35.1	0	0	0	113.4	Y356 A403 R409	Y356-P405 HydrophobicContact CE2-CB 4.21Å; A403-P405 WeakPolarHBondContact O-CD 3.44Å; P405-R409 WeakPolarHBondContact O-CB 3.28Å; P405-R409 PolarHBondContact O-N 3.06Å
406	T	96	Very high	96.4	Very high	107 Å²	107	47.4 Å²	47.4	66%	0.656	27%	0.271	S	S	*	.	H	α-helix	trans	-60.6	-46	176.7	-58	0	0	0	0	111.1	S404 K410	S404-T406 PolarHBondContact O-N 3.02Å; S404-T406 VanDerWaalsContact O-N 3.11Å; T406-K410 PolarHBondContact O-N 3.25Å
407	Y	96.9	Very high	96.2	Very high	40 Å²	40	55 Å²	55	16%	0.157	30%	0.297	C	S	.	.	H	α-helix	trans	-76.6	-45.7	-179.5	-73.1	-88.5	0	0	0	111	V391 E394 A395 A398 E400 S404 R409 K410 Y411	V391-Y407 HydrophobicContact CG1-CD1 4.16Å; V391-Y407 HydrophobicContact CG1-CG 4.4Å; V391-Y407 WeakPolarHBondContact CG1-O 3.31Å; V391-Y407 WeakPolarHBondContact O-CD1 3.28Å; E394-Y407 HydrophobicContact CB-CD1 4.35Å; E394-Y407 HydrophobicContact CB-CE1 3.85Å; A395-Y407 HydrophobicContact CB-CD1 3.81Å; A395-Y407 HydrophobicContact CB-CD2 3.93Å; A395-Y407 HydrophobicContact CB-CE1 3.95Å; A395-Y407 HydrophobicContact CB-CE2 4.07Å; A395-Y407 HydrophobicContact CB-CG 3.78Å; A398-Y407 WeakPolarHBondContact CB-OH 3.27Å; E400-Y407 HydrophobicContact CB-CE2 3.83Å; E400-Y407 HydrophobicContact CG-CE2 3.91Å; S404-Y407 PolarHBondContact O-N 3.17Å; Y407-R409 VanDerWaalsContact C-N 3.28Å; Y407-R409 PolarHBondContact O-N 3.15Å; Y407-K410 WeakPolarHBondContact O-CA 3.3Å; Y407-K410 VanDerWaalsContact O-CB 3.27Å; Y407-K410 WeakPolarHBondContact O-CB 3.35Å; Y407-K410 PolarHBondContact O-N 3.34Å; Y407-Y411 PolarHBondContact O-N 3.34Å
408	L	97.3	Very high	95.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-35.6	178.3	-62	-175	0	0	0	112.6	L199 Y356 V361 L388 S404 Y411 E412	L199-L408 HydrophobicContact CD1-CD1 4.15Å; L199-L408 HydrophobicContact CD1-CD2 4.36Å; Y356-L408 HydrophobicContact CD1-CB 4.29Å; Y356-L408 HydrophobicContact CD2-CB 3.63Å; Y356-L408 HydrophobicContact CD2-CD1 4.13Å; Y356-L408 HydrophobicContact CE2-CB 4.27Å; Y356-L408 HydrophobicContact CG-CB 3.64Å; V361-L408 HydrophobicContact CB-CD2 4.39Å; L388-L408 HydrophobicContact CD1-CD2 4.41Å; S404-L408 PolarHBondContact O-N 3.45Å; L408-Y411 WeakPolarHBondContact O-CB 3.48Å; L408-Y411 PolarHBondContact O-N 3.28Å; L408-E412 PolarHBondContact O-N 2.89Å
409	R	97.2	Very high	95.6	Very high	147 Å²	147	49.8 Å²	49.8	56%	0.555	25%	0.254	S	S	*	.	H	α-helix	trans	-65.8	-37.7	170.8	-174.7	-179.8	-66.3	177.1	-2.4	112.7	Y356 P405 Y407 Y411 E412 T413	Y356-R409 HydrophobicContact CE1-CB 3.83Å; Y356-R409 HydrophobicContact CE1-CG 4.33Å; Y356-R409 PolarHBondContact OH-NE 3.39Å; P405-R409 WeakPolarHBondContact O-CB 3.28Å; P405-R409 PolarHBondContact O-N 3.06Å; Y407-R409 VanDerWaalsContact C-N 3.28Å; Y407-R409 PolarHBondContact O-N 3.15Å; R409-Y411 VanDerWaalsContact C-N 3.33Å; R409-E412 PolarHBondContact O-N 2.75Å; R409-T413 WeakPolarHBondContact O-CB 3.48Å; R409-T413 PolarHBondContact O-N 3.1Å; R409-T413 PolarHBondContact O-OG1 3.21Å
410	K	97.8	Very high	95.4	Very high	89 Å²	89	49.2 Å²	49.2	39%	0.387	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-45.4	174.4	-175.7	-179.7	176.9	-175.3	0	110.3	V391 E394 T406 Y407 T413 I414	V391-K410 HydrophobicContact CG2-CD 4.34Å; V391-K410 HydrophobicContact CG2-CG 4.31Å; E394-K410 VanDerWaalsContact CD-NZ 3.3Å; E394-K410 IonicContact OE1-NZ 2.86Å; E394-K410 PolarHBondContact OE1-NZ 3.33Å; E394-K410 IonicContact OE2-NZ 3.28Å; E394-K410 PolarHBondContact OE2-NZ 3.45Å; T406-K410 PolarHBondContact O-N 3.25Å; Y407-K410 WeakPolarHBondContact O-CA 3.3Å; Y407-K410 VanDerWaalsContact O-CB 3.27Å; Y407-K410 WeakPolarHBondContact O-CB 3.35Å; Y407-K410 PolarHBondContact O-N 3.34Å; K410-T413 PolarHBondContact O-N 3Å; K410-I414 HydrophobicContact CG-CD1 3.99Å; K410-I414 VanDerWaalsContact O-CG1 3.29Å; K410-I414 WeakPolarHBondContact O-CG1 3.44Å; K410-I414 PolarHBondContact O-N 2.76Å
411	Y	98.1	Very high	95.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-53.3	172.8	160.5	-101.2	0	0	0	111.8	Y355 V361 L362 V363 D384 A387 L388 Y407 L408 R409 T413 I414 R415	Y355-Y411 HydrophobicContact CD2-CE1 4.17Å; V361-Y411 HydrophobicContact CG2-CD1 3.57Å; V361-Y411 HydrophobicContact CG2-CE1 3.28Å; L362-Y411 PolarHBondContact O-OH 2.91Å; V363-Y411 WeakPolarHBondContact CG1-OH 3.49Å; D384-Y411 HydrophobicContact CB-CE2 4.23Å; D384-Y411 WeakPolarHBondContact CB-OH 3.42Å; D384-Y411 WeakPolarHBondContact O-CE2 3.4Å; A387-Y411 HydrophobicContact CB-CD2 4.11Å; A387-Y411 HydrophobicContact CB-CE2 4.45Å; L388-Y411 HydrophobicContact CB-CD2 3.75Å; L388-Y411 HydrophobicContact CB-CE2 3.74Å; L388-Y411 HydrophobicContact CB-CG 4.5Å; L388-Y411 HydrophobicContact CD1-CD1 4.4Å; L388-Y411 HydrophobicContact CD1-CD2 4.18Å; L388-Y411 HydrophobicContact CD1-CG 4.09Å; Y407-Y411 PolarHBondContact O-N 3.34Å; L408-Y411 WeakPolarHBondContact O-CB 3.48Å; L408-Y411 PolarHBondContact O-N 3.28Å; R409-Y411 VanDerWaalsContact C-N 3.33Å; Y411-T413 VanDerWaalsContact C-N 3.3Å; Y411-T413 PolarHBondContact O-N 3.19Å; Y411-I414 PolarHBondContact O-N 3.02Å; Y411-R415 HydrophobicContact CD2-CG 3.65Å; Y411-R415 HydrophobicContact CE2-CB 4.43Å; Y411-R415 HydrophobicContact CE2-CG 3.25Å; Y411-R415 HydrophobicContact CG-CG 4.44Å; Y411-R415 WeakPolarHBondContact O-CG 3.21Å; Y411-R415 PolarHBondContact O-N 3.33Å
412	E	97.6	Very high	94.6	Very high	17 Å²	17	46.8 Å²	46.8	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-54.2	-47	178.4	176.5	179.2	88.9	0	0	111.5	H354 Y355 Y356 L408 R409 I414 R415 Q416	H354-E412 WeakPolarHBondContact CA-OE2 3.45Å; H354-E412 WeakPolarHBondContact CB-OE2 3.3Å; H354-E412 IonicContact CG-OE2 3.61Å; H354-E412 IonicContact ND1-OE1 2.83Å; H354-E412 IonicContact ND1-OE2 3.54Å; Y355-E412 HydrophobicContact CG-CG 4.46Å; Y355-E412 PolarHBondContact N-OE2 3.03Å; Y356-E412 HydrophobicContact CD1-CB 4.03Å; Y356-E412 WeakPolarHBondContact CD1-OE2 3.38Å; Y356-E412 HydrophobicContact CE1-CB 4.4Å; L408-E412 PolarHBondContact O-N 2.89Å; R409-E412 PolarHBondContact O-N 2.75Å; E412-I414 PolarHBondContact O-N 2.77Å; E412-R415 PolarHBondContact O-N 3.08Å; E412-Q416 HydrophobicContact CG-CG 4.21Å; E412-Q416 WeakPolarHBondContact O-CB 3.15Å; E412-Q416 WeakPolarHBondContact O-CG 3.43Å; E412-Q416 PolarHBondContact O-N 2.99Å
413	T	97.1	Very high	94.1	Very high	65 Å²	65	46.8 Å²	46.8	40%	0.399	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-46.1	-179.3	-58.2	0	0	0	0	111.6	R409 K410 Y411 R417	R409-T413 WeakPolarHBondContact O-CB 3.48Å; R409-T413 PolarHBondContact O-N 3.1Å; R409-T413 PolarHBondContact O-OG1 3.21Å; K410-T413 PolarHBondContact O-N 3Å; Y411-T413 VanDerWaalsContact C-N 3.3Å; Y411-T413 PolarHBondContact O-N 3.19Å; T413-R417 WeakPolarHBondContact O-CB 3.26Å; T413-R417 WeakPolarHBondContact O-CD 3.38Å; T413-R417 WeakPolarHBondContact O-CG 3.43Å; T413-R417 PolarHBondContact O-N 3.06Å
414	I	96.1	Very high	93.6	Very high	47 Å²	47	51.8 Å²	51.8	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-48.9	178.2	-69.2	165.2	0	0	0	109.8	A387 K410 Y411 E412 R417 E418 F470	A387-I414 HydrophobicContact CB-CG2 4.25Å; K410-I414 HydrophobicContact CG-CD1 3.99Å; K410-I414 VanDerWaalsContact O-CG1 3.29Å; K410-I414 WeakPolarHBondContact O-CG1 3.44Å; K410-I414 PolarHBondContact O-N 2.76Å; Y411-I414 PolarHBondContact O-N 3.02Å; E412-I414 PolarHBondContact O-N 2.77Å; I414-R417 PolarHBondContact O-N 3.22Å; I414-E418 PolarHBondContact O-N 2.74Å; I414-F470 HydrophobicContact CG2-CE1 3.82Å; I414-F470 HydrophobicContact CG2-CZ 4.31Å
415	R	95.7	Very high	93.1	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-70.8	-42.6	-174.4	-64.8	-45.9	-57.3	156.6	-1.4	113.1	Y355 L380 G383 D384 A387 Y411 E412 R417 E418 V419	Y355-R415 HydrophobicContact CD2-CB 3.96Å; Y355-R415 HydrophobicContact CE2-CB 3.73Å; L380-R415 PolarHBondContact O-NH2 2.82Å; G383-R415 PolarHBondContact O-NH1 2.84Å; D384-R415 IonicContact OD1-CZ 3.47Å; D384-R415 IonicContact OD1-NE 3.34Å; D384-R415 PolarHBondContact OD1-NE 3.18Å; D384-R415 IonicContact OD1-NH2 3.04Å; D384-R415 PolarHBondContact OD1-NH2 3.06Å; A387-R415 VanDerWaalsContact CB-CD 3.49Å; A387-R415 HydrophobicContact CB-CG 4.22Å; Y411-R415 HydrophobicContact CD2-CG 3.65Å; Y411-R415 HydrophobicContact CE2-CB 4.43Å; Y411-R415 HydrophobicContact CE2-CG 3.25Å; Y411-R415 HydrophobicContact CG-CG 4.44Å; Y411-R415 WeakPolarHBondContact O-CG 3.21Å; Y411-R415 PolarHBondContact O-N 3.33Å; E412-R415 PolarHBondContact O-N 3.08Å; R415-R417 VanDerWaalsContact C-N 3.28Å; R415-R417 PolarHBondContact O-N 2.92Å; R415-E418 IonicContact CZ-OE2 3.38Å; R415-E418 IonicContact NH1-OE1 3.68Å; R415-E418 IonicContact NH1-OE2 2.78Å; R415-E418 PolarHBondContact NH1-OE2 2.87Å; R415-E418 PolarHBondContact O-N 2.81Å; R415-E418 VanDerWaalsContact O-N 3.12Å; R415-V419 WeakPolarHBondContact O-CB 3.2Å; R415-V419 VanDerWaalsContact O-CG2 3.27Å; R415-V419 WeakPolarHBondContact O-CG2 3.11Å; R415-V419 PolarHBondContact O-N 2.82Å
416	Q	94.2	Very high	92.4	Very high	41 Å²	41	51 Å²	51	19%	0.192	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-37.4	176.5	-73.9	-171.8	-5	0	0	111.7	T353 Y355 E412 E418 L420	T353-Q416 PolarHBondContact O-NE2 2.91Å; Y355-Q416 HydrophobicContact CE1-CG 4.22Å; Y355-Q416 HydrophobicContact CE2-CG 4.28Å; E412-Q416 HydrophobicContact CG-CG 4.21Å; E412-Q416 WeakPolarHBondContact O-CB 3.15Å; E412-Q416 WeakPolarHBondContact O-CG 3.43Å; E412-Q416 PolarHBondContact O-N 2.99Å; Q416-E418 VanDerWaalsContact C-N 3.25Å; Q416-E418 PolarHBondContact O-N 2.87Å; Q416-L420 HydrophobicContact CB-CD1 4.09Å; Q416-L420 VanDerWaalsContact O-CB 3.26Å; Q416-L420 WeakPolarHBondContact O-CB 3.44Å; Q416-L420 PolarHBondContact O-N 3.05Å
417	R	94.1	Very high	91.8	Very high	191 Å²	191	46.9 Å²	46.9	72%	0.721	23%	0.228	S	C	*	.	H	α-helix	trans	-65.9	-25.6	176	-73.1	177.4	73.2	169.6	2.5	113.6	T413 I414 R415 P421	T413-R417 WeakPolarHBondContact O-CB 3.26Å; T413-R417 WeakPolarHBondContact O-CD 3.38Å; T413-R417 WeakPolarHBondContact O-CG 3.43Å; T413-R417 PolarHBondContact O-N 3.06Å; I414-R417 PolarHBondContact O-N 3.22Å; R415-R417 VanDerWaalsContact C-N 3.28Å; R415-R417 PolarHBondContact O-N 2.92Å; R417-P421 WeakPolarHBondContact O-CD 3.46Å; R417-P421 WeakPolarHBondContact O-CG 3.42Å
418	E	89.6	Confident	91.2	Very high	32 Å²	32	47.6 Å²	47.6	15%	0.15	24%	0.242	C	C	.	.	H	α-helix	trans	-88.9	-45.1	174	-72.9	-172.5	-154.1	0	0	112.5	R90 I414 R415 Q416 I422 F470	R90-E418 IonicContact NH2-OE1 3.41Å; R90-E418 PolarHBondContact NH2-OE1 2.79Å; R90-E418 IonicContact NH2-OE2 3.85Å; R90-E418 PolarHBondContact NH2-OE2 2.85Å; I414-E418 PolarHBondContact O-N 2.74Å; R415-E418 IonicContact CZ-OE2 3.38Å; R415-E418 IonicContact NH1-OE1 3.68Å; R415-E418 IonicContact NH1-OE2 2.78Å; R415-E418 PolarHBondContact NH1-OE2 2.87Å; R415-E418 PolarHBondContact O-N 2.81Å; R415-E418 VanDerWaalsContact O-N 3.12Å; Q416-E418 VanDerWaalsContact C-N 3.25Å; Q416-E418 PolarHBondContact O-N 2.87Å; E418-I422 WeakPolarHBondContact O-CD1 3.37Å; E418-I422 WeakPolarHBondContact O-CG1 3.32Å; E418-F470 WeakPolarHBondContact OE1-CE1 3.5Å; E418-F470 WeakPolarHBondContact OE1-CZ 3.38Å
419	V	90.7	Very high	90.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-75.1	-47.2	-172.2	172.1	0	0	0	0	111.9	H368 L380 R415 I422 A423	H368-V419 HydrophobicContact CB-CG1 3.9Å; L380-V419 HydrophobicContact CD1-CG1 4.46Å; L380-V419 HydrophobicContact CD2-CG2 4.28Å; R415-V419 WeakPolarHBondContact O-CB 3.2Å; R415-V419 VanDerWaalsContact O-CG2 3.27Å; R415-V419 WeakPolarHBondContact O-CG2 3.11Å; R415-V419 PolarHBondContact O-N 2.82Å; V419-I422 PolarHBondContact O-N 3.3Å; V419-A423 VanDerWaalsContact O-CB 3.31Å; V419-A423 WeakPolarHBondContact O-CB 3.44Å; V419-A423 PolarHBondContact O-N 2.85Å
420	L	90.7	Very high	89.6	Confident	57 Å²	57	46 Å²	46	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-46.1	-173.2	-77.6	169.8	0	0	0	113.2	H351 Q416 I422 A423 L424	H351-L420 VanDerWaalsContact NE2-CD2 3.34Å; H351-L420 WeakPolarHBondContact NE2-CD2 3.49Å; Q416-L420 HydrophobicContact CB-CD1 4.09Å; Q416-L420 VanDerWaalsContact O-CB 3.26Å; Q416-L420 WeakPolarHBondContact O-CB 3.44Å; Q416-L420 PolarHBondContact O-N 3.05Å; L420-I422 VanDerWaalsContact C-N 3.29Å; L420-I422 PolarHBondContact O-N 3.17Å; L420-A423 PolarHBondContact O-N 2.75Å; L420-L424 WeakPolarHBondContact O-CB 3.44Å; L420-L424 VanDerWaalsContact O-CG 3.3Å; L420-L424 WeakPolarHBondContact O-CG 3.41Å; L420-L424 PolarHBondContact O-N 3.49Å
421	P	88.7	Confident	88.9	Confident	62 Å²	62	47.8 Å²	47.8	40%	0.403	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-38.1	177.7	-25.3	36.3	0	0	0	113	R417 G425	R417-P421 WeakPolarHBondContact O-CD 3.46Å; R417-P421 WeakPolarHBondContact O-CG 3.42Å; P421-G425 PolarHBondContact O-N 3.33Å
422	I	84.9	Confident	88.1	Confident	24 Å²	24	50.1 Å²	50.1	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-48.3	176.6	-65.8	169.7	0	0	0	109.7	L376 L380 E418 V419 L420 L424 G425 C426 M464	L376-I422 HydrophobicContact CD1-CG2 3.85Å; L380-I422 HydrophobicContact CD1-CG2 4.49Å; L380-I422 HydrophobicContact CD2-CD1 3.68Å; E418-I422 WeakPolarHBondContact O-CD1 3.37Å; E418-I422 WeakPolarHBondContact O-CG1 3.32Å; V419-I422 PolarHBondContact O-N 3.3Å; L420-I422 VanDerWaalsContact C-N 3.29Å; L420-I422 PolarHBondContact O-N 3.17Å; I422-L424 PolarHBondContact O-N 3.44Å; I422-G425 PolarHBondContact O-N 2.87Å; I422-C426 WeakPolarHBondContact O-CB 3.4Å; I422-C426 PolarHBondContact O-N 2.95Å; I422-C426 PolarHBondContact O-SG 2.95Å; I422-C426 VanDerWaalsContact O-SG 3.36Å; I422-M464 HydrophobicContact CB-CE 4.32Å; I422-M464 HydrophobicContact CG1-CE 3.47Å; I422-M464 VanDerWaalsContact CG1-CE 3.47Å
423	A	86.6	Confident	87.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-48.9	-179.3	0	0	0	0	0	111.9	F349 V370 V419 L420 C426 D427	F349-A423 HydrophobicContact CE2-CB 4.03Å; V370-A423 HydrophobicContact CG1-CB 3.56Å; V419-A423 VanDerWaalsContact O-CB 3.31Å; V419-A423 WeakPolarHBondContact O-CB 3.44Å; V419-A423 PolarHBondContact O-N 2.85Å; L420-A423 PolarHBondContact O-N 2.75Å; A423-C426 PolarHBondContact O-N 3.5Å; A423-D427 PolarHBondContact O-N 2.88Å
424	L	86.6	Confident	86.4	Confident	106 Å²	106	49.3 Å²	49.3	56%	0.555	26%	0.255	S	S	*	.	H	α-helix	trans	-67.9	-38.6	177.3	-66.9	175.5	0	0	0	112	L420 I422 D427 A428	L420-L424 WeakPolarHBondContact O-CB 3.44Å; L420-L424 VanDerWaalsContact O-CG 3.3Å; L420-L424 WeakPolarHBondContact O-CG 3.41Å; L420-L424 PolarHBondContact O-N 3.49Å; I422-L424 PolarHBondContact O-N 3.44Å; L424-D427 PolarHBondContact O-N 3.08Å; L424-A428 WeakPolarHBondContact O-CB 3.42Å; L424-A428 PolarHBondContact O-N 2.92Å
425	G	83.8	Confident	85.7	Confident	31 Å²	31	49.6 Å²	49.6	32%	0.32	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-45	175.4	0	0	0	0	0	112.1	P421 I422 A428 L429	P421-G425 PolarHBondContact O-N 3.33Å; I422-G425 PolarHBondContact O-N 2.87Å; G425-A428 PolarHBondContact O-N 2.74Å; G425-L429 WeakPolarHBondContact O-CB 3.41Å; G425-L429 WeakPolarHBondContact O-CG 3.44Å; G425-L429 PolarHBondContact O-N 2.7Å
426	C	81.9	Confident	84.7	Confident	13 Å²	13	53.8 Å²	53.8	9%	0.088	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-44.2	175.6	-70.3	0	0	0	0	112.2	H371 L373 I422 A423 L429 Y430	H371-C426 HydrophobicContact CB-CB 4.44Å; L373-C426 HydrophobicContact CD1-CB 4.44Å; L373-C426 WeakPolarHBondContact CD1-O 3.1Å; I422-C426 WeakPolarHBondContact O-CB 3.4Å; I422-C426 PolarHBondContact O-N 2.95Å; I422-C426 PolarHBondContact O-SG 2.95Å; I422-C426 VanDerWaalsContact O-SG 3.36Å; A423-C426 PolarHBondContact O-N 3.5Å; C426-L429 PolarHBondContact O-N 3.31Å; C426-Y430 WeakPolarHBondContact O-CB 3.38Å; C426-Y430 PolarHBondContact O-N 2.93Å
427	D	83.5	Confident	83.9	Confident	20 Å²	20	58 Å²	58	11%	0.107	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-42	176.7	-179.7	72.5	0	0	0	111.6	A423 L424 Y430 R431	A423-D427 PolarHBondContact O-N 2.88Å; L424-D427 PolarHBondContact O-N 3.08Å; D427-Y430 WeakPolarHBondContact O-CB 3.29Å; D427-Y430 PolarHBondContact O-N 3.21Å; D427-R431 WeakPolarHBondContact O-CG 3.18Å; D427-R431 PolarHBondContact O-N 2.69Å; D427-R431 IonicContact OD1-CZ 3.52Å; D427-R431 IonicContact OD1-NE 3.9Å; D427-R431 PolarHBondContact OD1-NE 2.9Å; D427-R431 IonicContact OD1-NH2 2.79Å; D427-R431 PolarHBondContact OD1-NH2 3.14Å; D427-R431 VanDerWaalsContact OD1-NH2 3.16Å; D427-R431 IonicContact OD2-CZ 3.23Å; D427-R431 IonicContact OD2-NE 3.77Å; D427-R431 PolarHBondContact OD2-NE 3.38Å; D427-R431 IonicContact OD2-NH2 3.7Å; D427-R431 PolarHBondContact OD2-NH2 3.27Å
428	A	82.7	Confident	82.9	Confident	55 Å²	55	53.8 Å²	53.8	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-44.8	176.1	0	0	0	0	0	111.9	L424 G425 R431 L432	L424-A428 WeakPolarHBondContact O-CB 3.42Å; L424-A428 PolarHBondContact O-N 2.92Å; G425-A428 PolarHBondContact O-N 2.74Å; A428-R431 PolarHBondContact O-N 2.91Å; A428-L432 VanDerWaalsContact O-CB 3.29Å; A428-L432 WeakPolarHBondContact O-CB 3.35Å; A428-L432 PolarHBondContact O-N 3.41Å
429	L	79.9	Confident	82.3	Confident	73 Å²	73	56.8 Å²	56.8	38%	0.382	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-48.3	174.1	-77.3	169.3	0	0	0	110.9	L373 G425 C426 R431 L432 Y433	L373-L429 HydrophobicContact CD1-CB 4Å; G425-L429 WeakPolarHBondContact O-CB 3.41Å; G425-L429 WeakPolarHBondContact O-CG 3.44Å; G425-L429 PolarHBondContact O-N 2.7Å; C426-L429 PolarHBondContact O-N 3.31Å; L429-R431 PolarHBondContact O-N 2.93Å; L429-L432 WeakPolarHBondContact O-CB 3.41Å; L429-L432 PolarHBondContact O-N 2.75Å; L429-Y433 HydrophobicContact CD2-CE2 4.18Å; L429-Y433 WeakPolarHBondContact O-CD2 3.49Å; L429-Y433 PolarHBondContact O-N 2.98Å
430	Y	81.9	Confident	81.7	Confident	41 Å²	41	57.8 Å²	57.8	16%	0.161	33%	0.331	C	S	.	.	H	α-helix	trans	-55.4	-48.2	176.5	164.8	-99.4	0	0	0	112.3	Y223 H371 C426 D427 L432 Y433 S434	Y223-Y430 AromaticContact CD1-CD1 3.65Å; Y223-Y430 HydrophobicContact CD1-CD1 3.65Å; Y223-Y430 AromaticContact CD1-CE1 3.46Å; Y223-Y430 HydrophobicContact CD1-CE1 3.46Å; Y223-Y430 VanDerWaalsContact CD1-CE1 3.46Å; Y223-Y430 HydrophobicContact CD1-CE2 4.36Å; Y223-Y430 HydrophobicContact CD1-CG 4.19Å; Y223-Y430 AromaticContact CD1-CZ 3.82Å; Y223-Y430 AromaticContact CE1-CD1 3.64Å; Y223-Y430 HydrophobicContact CE1-CD1 3.64Å; Y223-Y430 AromaticContact CE1-CE1 3.92Å; Y223-Y430 HydrophobicContact CE1-CE1 3.92Å; Y223-Y430 HydrophobicContact CE1-CG 4.15Å; Y223-Y430 PolarHBondContact O-OH 2.75Å; H371-Y430 AromaticContact NE2-CD2 3.72Å; C426-Y430 WeakPolarHBondContact O-CB 3.38Å; C426-Y430 PolarHBondContact O-N 2.93Å; D427-Y430 WeakPolarHBondContact O-CB 3.29Å; D427-Y430 PolarHBondContact O-N 3.21Å; Y430-L432 VanDerWaalsContact C-N 3.34Å; Y430-L432 PolarHBondContact O-N 2.65Å; Y430-Y433 PolarHBondContact O-N 3.48Å; Y430-S434 WeakPolarHBondContact O-CB 3.47Å; Y430-S434 PolarHBondContact O-N 3.33Å; Y430-S434 PolarHBondContact O-OG 2.97Å
431	R	83.1	Confident	80.9	Confident	126 Å²	126	55.4 Å²	55.4	48%	0.475	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-38.9	178.1	-70.4	179	-166	-84.7	-11.4	112.4	D427 A428 L429 S434 T435	D427-R431 WeakPolarHBondContact O-CG 3.18Å; D427-R431 PolarHBondContact O-N 2.69Å; D427-R431 IonicContact OD1-CZ 3.52Å; D427-R431 IonicContact OD1-NE 3.9Å; D427-R431 PolarHBondContact OD1-NE 2.9Å; D427-R431 IonicContact OD1-NH2 2.79Å; D427-R431 PolarHBondContact OD1-NH2 3.14Å; D427-R431 VanDerWaalsContact OD1-NH2 3.16Å; D427-R431 IonicContact OD2-CZ 3.23Å; D427-R431 IonicContact OD2-NE 3.77Å; D427-R431 PolarHBondContact OD2-NE 3.38Å; D427-R431 IonicContact OD2-NH2 3.7Å; D427-R431 PolarHBondContact OD2-NH2 3.27Å; A428-R431 PolarHBondContact O-N 2.91Å; L429-R431 PolarHBondContact O-N 2.93Å; R431-S434 VanDerWaalsContact CA-OG 3.3Å; R431-S434 WeakPolarHBondContact CA-OG 3.35Å; R431-S434 PolarHBondContact O-OG 3.49Å; R431-S434 VanDerWaalsContact O-OG 3.09Å; R431-T435 PolarHBondContact O-N 3.2Å; R431-T435 PolarHBondContact O-OG1 3.35Å
432	L	81.2	Confident	80.2	Confident	50 Å²	50	56 Å²	56	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-41.6	177.3	-177.5	64.2	0	0	0	111.7	A428 L429 Y430 A440 R444	A428-L432 VanDerWaalsContact O-CB 3.29Å; A428-L432 WeakPolarHBondContact O-CB 3.35Å; A428-L432 PolarHBondContact O-N 3.41Å; L429-L432 WeakPolarHBondContact O-CB 3.41Å; L429-L432 PolarHBondContact O-N 2.75Å; Y430-L432 VanDerWaalsContact C-N 3.34Å; Y430-L432 PolarHBondContact O-N 2.65Å; L432-A440 HydrophobicContact CD1-CB 4.4Å; L432-R444 HydrophobicContact CD1-CB 4.14Å; L432-R444 HydrophobicContact CD2-CB 3.62Å; L432-R444 HydrophobicContact CG-CB 3.7Å
433	Y	78.7	Confident	79.7	Confident	12 Å²	12	60 Å²	60	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-77.4	-29.9	179.6	-79.6	-74.5	0	0	0	114.1	E119 F248 L429 Y430 T435 R444 L448	E119-Y433 HydrophobicContact CB-CE1 4.08Å; F248-Y433 HydrophobicContact CB-CD1 3.37Å; F248-Y433 HydrophobicContact CB-CD2 4.39Å; F248-Y433 HydrophobicContact CB-CE1 3.41Å; F248-Y433 VanDerWaalsContact CB-CE1 3.41Å; F248-Y433 HydrophobicContact CB-CE2 4.43Å; F248-Y433 HydrophobicContact CB-CG 3.89Å; F248-Y433 AromaticContact CD1-CD1 3.88Å; F248-Y433 HydrophobicContact CD1-CD1 3.88Å; F248-Y433 AromaticContact CD1-CD2 3.31Å; F248-Y433 HydrophobicContact CD1-CD2 3.31Å; F248-Y433 HydrophobicContact CD1-CE1 4.12Å; F248-Y433 AromaticContact CD1-CE2 3.6Å; F248-Y433 HydrophobicContact CD1-CE2 3.6Å; F248-Y433 AromaticContact CD1-CG 3.47Å; F248-Y433 HydrophobicContact CD1-CG 3.47Å; F248-Y433 VanDerWaalsContact CD1-CG 3.47Å; F248-Y433 AromaticContact CD1-CZ 3.98Å; F248-Y433 HydrophobicContact CD2-CD2 4.49Å; F248-Y433 HydrophobicContact CD2-CE1 4.07Å; F248-Y433 AromaticContact CD2-CE2 3.96Å; F248-Y433 HydrophobicContact CD2-CE2 3.96Å; F248-Y433 AromaticContact CD2-CZ 3.72Å; F248-Y433 AromaticContact CE1-CD2 3.57Å; F248-Y433 HydrophobicContact CE1-CD2 3.57Å; F248-Y433 AromaticContact CE1-CE2 3.71Å; F248-Y433 HydrophobicContact CE1-CE2 3.71Å; F248-Y433 HydrophobicContact CE1-CG 4.19Å; F248-Y433 HydrophobicContact CE2-CE2 4.07Å; F248-Y433 AromaticContact CG-CD1 3.73Å; F248-Y433 HydrophobicContact CG-CD1 3.73Å; F248-Y433 AromaticContact CG-CD2 3.83Å; F248-Y433 HydrophobicContact CG-CD2 3.83Å; F248-Y433 AromaticContact CG-CE1 3.61Å; F248-Y433 HydrophobicContact CG-CE1 3.61Å; F248-Y433 AromaticContact CG-CE2 3.73Å; F248-Y433 HydrophobicContact CG-CE2 3.73Å; F248-Y433 AromaticContact CG-CG 3.83Å; F248-Y433 HydrophobicContact CG-CG 3.83Å; F248-Y433 AromaticContact CG-CZ 3.61Å; F248-Y433 HydrophobicContact CZ-CD2 4.28Å; F248-Y433 AromaticContact CZ-CE2 3.95Å; F248-Y433 HydrophobicContact CZ-CE2 3.95Å; L429-Y433 HydrophobicContact CD2-CE2 4.18Å; L429-Y433 WeakPolarHBondContact O-CD2 3.49Å; L429-Y433 PolarHBondContact O-N 2.98Å; Y430-Y433 PolarHBondContact O-N 3.48Å; Y433-T435 VanDerWaalsContact C-N 3.31Å; Y433-R444 HydrophobicContact CE1-CG 4.36Å; Y433-R444 PolarHBondContact O-NH1 3.27Å; Y433-L448 HydrophobicContact CE1-CD1 4.36Å; Y433-L448 WeakPolarHBondContact OH-CD1 3.48Å; Y433-L448 WeakPolarHBondContact OH-CD2 3.24Å; Y433-L448 WeakPolarHBondContact OH-CG 3.4Å
434	S	80	Confident	79.4	Confident	52 Å²	52	60.1 Å²	60.1	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-76	-16.3	175.4	52.4	0	0	0	0	113.7	Y430 R431	Y430-S434 WeakPolarHBondContact O-CB 3.47Å; Y430-S434 PolarHBondContact O-N 3.33Å; Y430-S434 PolarHBondContact O-OG 2.97Å; R431-S434 VanDerWaalsContact CA-OG 3.3Å; R431-S434 WeakPolarHBondContact CA-OG 3.35Å; R431-S434 PolarHBondContact O-OG 3.49Å; R431-S434 VanDerWaalsContact O-OG 3.09Å
435	T	81.5	Confident	78.9	Confident	53 Å²	53	55.1 Å²	55.1	33%	0.325	31%	0.311	S	S	.	.			trans	-79.1	129.6	178.6	-58.7	0	0	0	0	111.7	R431 Y433 M437 A440	R431-T435 PolarHBondContact O-N 3.2Å; R431-T435 PolarHBondContact O-OG1 3.35Å; Y433-T435 VanDerWaalsContact C-N 3.31Å; T435-M437 HydrophobicContact CG2-CB 4.04Å; T435-M437 HydrophobicContact CG2-CG 4.1Å; T435-A440 HydrophobicContact CG2-CB 3.77Å
436	S	74.5	Confident	78.4	Confident	90 Å²	90	55.7 Å²	55.7	63%	0.629	31%	0.306	S	S	*	.			trans	-93.9	-5.7	-178.5	57.8	0	0	0	0	114.8	L438	S436-L438 PolarHBondContact O-N 3.07Å
437	M	77.5	Confident	78.1	Confident	130 Å²	130	56.6 Å²	56.6	64%	0.64	32%	0.318	S	S	*	.			trans	-67.3	130	-178.2	-62.2	-175.8	71.4	0	0	111.3	T435 P439 A440 V441	T435-M437 HydrophobicContact CG2-CB 4.04Å; T435-M437 HydrophobicContact CG2-CG 4.1Å; M437-P439 VanDerWaalsContact C-CD 3.5Å; M437-A440 WeakPolarHBondContact O-CB 3.26Å; M437-A440 PolarHBondContact O-N 3.09Å; M437-V441 PolarHBondContact O-N 3.27Å
438	L	72.5	Confident	77.6	Confident	101 Å²	101	56 Å²	56	53%	0.529	32%	0.315	S	S	.	.	H	α-helix	trans	-46.8	-44.5	-178.7	-101.4	145.2	0	0	0	114.9	L303 S436 A440 V441 F442	L303-L438 HydrophobicContact CD2-CD2 4.45Å; S436-L438 PolarHBondContact O-N 3.07Å; L438-A440 PolarHBondContact O-N 2.75Å; L438-V441 PolarHBondContact O-N 2.93Å; L438-F442 PolarHBondContact O-N 3.34Å
439	P	77.9	Confident	77.1	Confident	96 Å²	96	53.9 Å²	53.9	62%	0.623	30%	0.296	S	S	*	.	H	α-helix	trans	-62.9	-38.4	176.7	-25.1	35.5	0	0	0	113.9	M437 F442 L443	M437-P439 VanDerWaalsContact C-CD 3.5Å; P439-F442 PolarHBondContact O-N 2.68Å; P439-L443 WeakPolarHBondContact O-CB 3.2Å; P439-L443 PolarHBondContact O-N 2.8Å
440	A	78.2	Confident	76.7	Confident	20 Å²	20	53.1 Å²	53.1	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-40.5	176.9	0	0	0	0	0	111.1	L432 T435 M437 L438 L443 R444	L432-A440 HydrophobicContact CD1-CB 4.4Å; T435-A440 HydrophobicContact CG2-CB 3.77Å; M437-A440 WeakPolarHBondContact O-CB 3.26Å; M437-A440 PolarHBondContact O-N 3.09Å; L438-A440 PolarHBondContact O-N 2.75Å; A440-L443 PolarHBondContact O-N 3.05Å; A440-R444 WeakPolarHBondContact O-CG 3.28Å; A440-R444 PolarHBondContact O-N 3Å
441	V	74	Confident	76.3	Confident	8 Å²	8	52 Å²	52	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-43.7	173.6	173.7	0	0	0	0	111.3	C121 M437 L438 R444 S445	C121-V441 HydrophobicContact CB-CG1 3.86Å; C121-V441 VanDerWaalsContact SG-CG1 3.57Å; M437-V441 PolarHBondContact O-N 3.27Å; L438-V441 PolarHBondContact O-N 2.93Å; V441-R444 VanDerWaalsContact O-CG 3.22Å; V441-R444 WeakPolarHBondContact O-CG 3.3Å; V441-S445 WeakPolarHBondContact O-CB 3.44Å; V441-S445 PolarHBondContact O-N 2.89Å; V441-S445 VanDerWaalsContact O-N 3.12Å; V441-S445 PolarHBondContact O-OG 3.4Å
442	F	73.4	Confident	75.7	Confident	74 Å²	74	46.6 Å²	46.6	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-65	-46.6	175.1	176.4	-102.9	0	0	0	111.8	T304 A307 L438 P439 R444 S445 L446	T304-F442 HydrophobicContact CG2-CD2 4.39Å; A307-F442 HydrophobicContact CB-CD2 4.14Å; A307-F442 HydrophobicContact CB-CE2 3.57Å; A307-F442 HydrophobicContact CB-CZ 4.49Å; L438-F442 PolarHBondContact O-N 3.34Å; P439-F442 PolarHBondContact O-N 2.68Å; F442-R444 VanDerWaalsContact C-N 3.35Å; F442-R444 PolarHBondContact O-N 3.33Å; F442-S445 PolarHBondContact O-N 3.46Å; F442-L446 HydrophobicContact CE1-CD2 4.25Å; F442-L446 HydrophobicContact CZ-CD1 4.26Å; F442-L446 HydrophobicContact CZ-CD2 4.49Å; F442-L446 WeakPolarHBondContact O-CB 3.27Å; F442-L446 PolarHBondContact O-N 2.94Å
443	L	74.7	Confident	75.2	Confident	107 Å²	107	44.6 Å²	44.6	56%	0.56	26%	0.259	S	S	*	.	H	α-helix	trans	-60.7	-42.1	-178.8	-173.7	68.9	0	0	0	112.2	P439 A440 G447	P439-L443 WeakPolarHBondContact O-CB 3.2Å; P439-L443 PolarHBondContact O-N 2.8Å; A440-L443 PolarHBondContact O-N 3.05Å; L443-G447 PolarHBondContact O-N 3.03Å
444	R	80	Confident	74.8	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.019	26%	0.262	C	S	.	.	H	α-helix	trans	-68.4	-40.5	176.9	75.4	-176	-167.3	-166.1	8.4	112.2	E119 C121 L432 Y433 A440 V441 F442 L446 G447 L448	E119-R444 WeakPolarHBondContact OE2-CG 3.3Å; E119-R444 IonicContact OE2-CZ 3.73Å; E119-R444 IonicContact OE2-NE 2.71Å; E119-R444 PolarHBondContact OE2-NE 3.05Å; E119-R444 IonicContact OE2-NH2 3.37Å; C121-R444 PolarHBondContact SG-NE 2.68Å; C121-R444 VanDerWaalsContact SG-NE 3.45Å; C121-R444 PolarHBondContact SG-NH2 2.78Å; L432-R444 HydrophobicContact CD1-CB 4.14Å; L432-R444 HydrophobicContact CD2-CB 3.62Å; L432-R444 HydrophobicContact CG-CB 3.7Å; Y433-R444 HydrophobicContact CE1-CG 4.36Å; Y433-R444 PolarHBondContact O-NH1 3.27Å; A440-R444 WeakPolarHBondContact O-CG 3.28Å; A440-R444 PolarHBondContact O-N 3Å; V441-R444 VanDerWaalsContact O-CG 3.22Å; V441-R444 WeakPolarHBondContact O-CG 3.3Å; F442-R444 VanDerWaalsContact C-N 3.35Å; F442-R444 PolarHBondContact O-N 3.33Å; R444-L446 VanDerWaalsContact C-N 3.34Å; R444-L446 PolarHBondContact O-N 2.76Å; R444-G447 PolarHBondContact O-N 3.4Å; R444-L448 PolarHBondContact O-N 3.26Å
445	S	76	Confident	74.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-44.7	177.5	-50.4	0	0	0	0	110.4	E119 T304 V441 F442 L448 N449	E119-S445 VanDerWaalsContact OE1-CA 3.25Å; E119-S445 WeakPolarHBondContact OE1-CA 3.19Å; E119-S445 VanDerWaalsContact OE1-CB 3.25Å; E119-S445 WeakPolarHBondContact OE1-CB 3.37Å; E119-S445 PolarHBondContact OE1-OG 2.66Å; T304-S445 WeakPolarHBondContact CG2-OG 3.4Å; V441-S445 WeakPolarHBondContact O-CB 3.44Å; V441-S445 PolarHBondContact O-N 2.89Å; V441-S445 VanDerWaalsContact O-N 3.12Å; V441-S445 PolarHBondContact O-OG 3.4Å; F442-S445 PolarHBondContact O-N 3.46Å; S445-L448 PolarHBondContact O-N 3.03Å; S445-N449 PolarHBondContact O-N 3.4Å
446	L	73	Confident	74	Confident	43 Å²	43	49 Å²	49	23%	0.225	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-44.4	175.7	-170.1	77.3	0	0	0	111	A311 W315 F442 R444 N449 L450	A311-L446 HydrophobicContact CB-CD1 3.96Å; W315-L446 HydrophobicContact CH2-CD1 3.28Å; W315-L446 HydrophobicContact CH2-CG 3.78Å; W315-L446 HydrophobicContact CZ2-CD1 3.8Å; W315-L446 HydrophobicContact CZ2-CG 4.22Å; W315-L446 HydrophobicContact CZ3-CD1 4.07Å; F442-L446 HydrophobicContact CE1-CD2 4.25Å; F442-L446 HydrophobicContact CZ-CD1 4.26Å; F442-L446 HydrophobicContact CZ-CD2 4.49Å; F442-L446 WeakPolarHBondContact O-CB 3.27Å; F442-L446 PolarHBondContact O-N 2.94Å; R444-L446 VanDerWaalsContact C-N 3.34Å; R444-L446 PolarHBondContact O-N 2.76Å; L446-N449 PolarHBondContact O-N 3Å; L446-L450 VanDerWaalsContact O-CB 3.24Å; L446-L450 WeakPolarHBondContact O-CB 3.41Å; L446-L450 PolarHBondContact O-N 2.98Å
447	G	74.9	Confident	73.9	Confident	32 Å²	32	46.5 Å²	46.5	33%	0.33	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-47	177.2	0	0	0	0	0	112.7	L443 R444 N449 L450 V451	L443-G447 PolarHBondContact O-N 3.03Å; R444-G447 PolarHBondContact O-N 3.4Å; G447-N449 PolarHBondContact O-N 3.25Å; G447-L450 PolarHBondContact O-N 2.94Å; G447-V451 WeakPolarHBondContact O-CG2 3.46Å; G447-V451 PolarHBondContact O-N 3.17Å
448	L	73.5	Confident	73.7	Confident	9 Å²	9	42.1 Å²	42.1	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-55.5	-51.7	174	-84.7	167.9	0	0	0	110.9	V117 E119 A124 I126 Y433 R444 S445 L450 V451 N452	V117-L448 HydrophobicContact CG1-CD2 4.39Å; E119-L448 HydrophobicContact CB-CD1 3.98Å; E119-L448 VanDerWaalsContact CD-CD1 3.43Å; E119-L448 HydrophobicContact CG-CD1 3.7Å; A124-L448 HydrophobicContact CB-CB 4.06Å; A124-L448 HydrophobicContact CB-CD1 4.2Å; I126-L448 HydrophobicContact CD1-CB 4.42Å; I126-L448 HydrophobicContact CD1-CD2 3.4Å; I126-L448 HydrophobicContact CD1-CG 4.44Å; I126-L448 HydrophobicContact CG1-CB 4.39Å; I126-L448 HydrophobicContact CG1-CD2 3.78Å; I126-L448 WeakPolarHBondContact CG1-O 3.45Å; Y433-L448 HydrophobicContact CE1-CD1 4.36Å; Y433-L448 WeakPolarHBondContact OH-CD1 3.48Å; Y433-L448 WeakPolarHBondContact OH-CD2 3.24Å; Y433-L448 WeakPolarHBondContact OH-CG 3.4Å; R444-L448 PolarHBondContact O-N 3.26Å; S445-L448 PolarHBondContact O-N 3.03Å; L448-L450 VanDerWaalsContact C-N 3.35Å; L448-L450 PolarHBondContact O-N 3.32Å; L448-V451 PolarHBondContact O-N 2.99Å; L448-N452 PolarHBondContact O-N 3.14Å
449	N	72.3	Confident	73.6	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-39	-177.1	-155.3	-57.8	0	0	0	111.9	L308 N312 W315 S445 L446 G447 N452 K453	L308-N449 HydrophobicContact CD1-CB 4.48Å; L308-N449 HydrophobicContact CD2-CB 4.26Å; L308-N449 VanDerWaalsContact CD2-ND2 3.32Å; L308-N449 WeakPolarHBondContact CD2-ND2 3.3Å; L308-N449 HydrophobicContact CG-CB 4.47Å; N312-N449 PolarHBondContact ND2-ND2 3.24Å; N312-N449 VanDerWaalsContact ND2-ND2 3.11Å; N312-N449 VanDerWaalsContact OD1-CG 3.28Å; N312-N449 PolarHBondContact OD1-ND2 2.8Å; N312-N449 PolarHBondContact OD1-OD1 2.9Å; W315-N449 HydrophobicContact CZ3-CB 4.1Å; S445-N449 PolarHBondContact O-N 3.4Å; L446-N449 PolarHBondContact O-N 3Å; G447-N449 PolarHBondContact O-N 3.25Å; N449-N452 WeakPolarHBondContact O-CB 3.38Å; N449-N452 PolarHBondContact O-N 3.43Å; N449-N452 VanDerWaalsContact O-N 3.17Å; N449-K453 WeakPolarHBondContact O-CB 3.28Å; N449-K453 WeakPolarHBondContact O-CG 3.37Å; N449-K453 PolarHBondContact O-N 3.4Å; N449-K453 VanDerWaalsContact OD1-CD 3.25Å; N449-K453 WeakPolarHBondContact OD1-CD 3.36Å; N449-K453 WeakPolarHBondContact OD1-CE 3.25Å
450	L	72.6	Confident	73.3	Confident	57 Å²	57	41.3 Å²	41.3	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-46.3	176.4	-176.4	66.6	0	0	0	111.8	W315 L446 G447 L448 N452 K453 L454 L457	W315-L450 HydrophobicContact CH2-CB 3.97Å; W315-L450 HydrophobicContact CH2-CD1 4.23Å; W315-L450 HydrophobicContact CZ2-CB 4.22Å; W315-L450 HydrophobicContact CZ2-CD1 3.69Å; W315-L450 HydrophobicContact CZ2-CG 4.48Å; L446-L450 VanDerWaalsContact O-CB 3.24Å; L446-L450 WeakPolarHBondContact O-CB 3.41Å; L446-L450 PolarHBondContact O-N 2.98Å; G447-L450 PolarHBondContact O-N 2.94Å; L448-L450 VanDerWaalsContact C-N 3.35Å; L448-L450 PolarHBondContact O-N 3.32Å; L450-N452 VanDerWaalsContact C-N 3.27Å; L450-N452 PolarHBondContact O-N 2.71Å; L450-K453 PolarHBondContact O-N 3.01Å; L450-L454 HydrophobicContact CD1-CD1 3.42Å; L450-L454 VanDerWaalsContact CD1-CD1 3.42Å; L450-L454 HydrophobicContact CD1-CG 4.02Å; L450-L454 HydrophobicContact CG-CD1 3.81Å; L450-L454 WeakPolarHBondContact O-CB 3.29Å; L450-L454 WeakPolarHBondContact O-CG 3.29Å; L450-L454 PolarHBondContact O-N 3.33Å; L450-L454 VanDerWaalsContact O-N 3.09Å; L450-L457 HydrophobicContact CG-CD1 4.24Å
451	V	72.1	Confident	73	Confident	18 Å²	18	44.7 Å²	44.7	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-38.1	175.5	175	0	0	0	0	110.6	I126 G447 L448 K453 L457 K458 F461	I126-V451 HydrophobicContact CD1-CB 3.82Å; I126-V451 HydrophobicContact CD1-CG1 3.8Å; I126-V451 HydrophobicContact CG1-CB 4.46Å; I126-V451 HydrophobicContact CG2-CG1 4.39Å; G447-V451 WeakPolarHBondContact O-CG2 3.46Å; G447-V451 PolarHBondContact O-N 3.17Å; L448-V451 PolarHBondContact O-N 2.99Å; V451-K453 PolarHBondContact O-N 3.3Å; V451-L457 HydrophobicContact CG1-CB 4.33Å; V451-L457 HydrophobicContact CG2-CB 4.42Å; V451-L457 HydrophobicContact CG2-CD1 4.15Å; V451-K458 HydrophobicContact CG1-CG 4.48Å; V451-K458 WeakPolarHBondContact O-CG 3.47Å; V451-F461 HydrophobicContact CB-CE2 4.49Å; V451-F461 HydrophobicContact CG1-CD2 3.73Å; V451-F461 HydrophobicContact CG1-CE2 3.93Å; V451-F461 HydrophobicContact CG2-CD2 4.3Å; V451-F461 HydrophobicContact CG2-CE2 3.64Å
452	N	71.1	Confident	72.9	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.064	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-32.7	176.8	-165.9	50.1	0	0	0	113.1	Y125 I126 T127 E324 L448 N449 L450 K458	Y125-N452 VanDerWaalsContact O-CB 3.3Å; Y125-N452 WeakPolarHBondContact O-CB 3.44Å; I126-N452 WeakPolarHBondContact CA-OD1 3.5Å; I126-N452 HydrophobicContact CB-CB 4.45Å; I126-N452 HydrophobicContact CG1-CB 4.12Å; I126-N452 HydrophobicContact CG2-CB 4.5Å; T127-N452 PolarHBondContact N-OD1 3.09Å; T127-N452 VanDerWaalsContact N-OD1 3.13Å; E324-N452 PolarHBondContact OE1-ND2 2.77Å; L448-N452 PolarHBondContact O-N 3.14Å; N449-N452 WeakPolarHBondContact O-CB 3.38Å; N449-N452 PolarHBondContact O-N 3.43Å; N449-N452 VanDerWaalsContact O-N 3.17Å; L450-N452 VanDerWaalsContact C-N 3.27Å; L450-N452 PolarHBondContact O-N 2.71Å; N452-K458 WeakPolarHBondContact O-CE 3.4Å; N452-K458 PolarHBondContact O-NZ 3.43Å; N452-K458 VanDerWaalsContact O-NZ 3.17Å; N452-K458 VanDerWaalsContact OD1-CE 3.24Å; N452-K458 WeakPolarHBondContact OD1-CE 3.2Å; N452-K458 PolarHBondContact OD1-NZ 3.41Å
453	K	70.8	Confident	72.8	Confident	9 Å²	9	43.2 Å²	43.2	4%	0.039	22%	0.224	C	C	.	.	H	α-helix	trans	-90.8	-19.8	-172.5	-78.7	-174.7	169	-171.3	0	115.5	N312 W315 V321 G322 N449 L450 V451 P455	N312-K453 VanDerWaalsContact CA-NZ 3.32Å; N312-K453 VanDerWaalsContact CB-NZ 3.27Å; N312-K453 WeakPolarHBondContact OD1-CE 3.21Å; N312-K453 PolarHBondContact OD1-NZ 3.34Å; W315-K453 HydrophobicContact CB-CD 4.42Å; W315-K453 HydrophobicContact CD2-CD 4.48Å; W315-K453 HydrophobicContact CE3-CD 3.81Å; W315-K453 HydrophobicContact CZ3-CD 4.43Å; V321-K453 HydrophobicContact CG1-CB 3.97Å; V321-K453 HydrophobicContact CG1-CD 4.12Å; V321-K453 HydrophobicContact CG1-CG 4.15Å; G322-K453 PolarHBondContact N-O 2.89Å; N449-K453 WeakPolarHBondContact O-CB 3.28Å; N449-K453 WeakPolarHBondContact O-CG 3.37Å; N449-K453 PolarHBondContact O-N 3.4Å; N449-K453 VanDerWaalsContact OD1-CD 3.25Å; N449-K453 WeakPolarHBondContact OD1-CD 3.36Å; N449-K453 WeakPolarHBondContact OD1-CE 3.25Å; L450-K453 PolarHBondContact O-N 3.01Å; V451-K453 PolarHBondContact O-N 3.3Å; K453-P455 WeakPolarHBondContact O-CD 3.42Å
454	L	70.8	Confident	72.4	Confident	22 Å²	22	40.9 Å²	40.9	12%	0.115	21%	0.211	C	C	.	.			trans	-107.7	101.9	-177.6	-65.3	-177.9	0	0	0	109.6	V321 L450 F456 L457 K458	V321-L454 HydrophobicContact CG2-CD2 4.31Å; L450-L454 HydrophobicContact CD1-CD1 3.42Å; L450-L454 VanDerWaalsContact CD1-CD1 3.42Å; L450-L454 HydrophobicContact CD1-CG 4.02Å; L450-L454 HydrophobicContact CG-CD1 3.81Å; L450-L454 WeakPolarHBondContact O-CB 3.29Å; L450-L454 WeakPolarHBondContact O-CG 3.29Å; L450-L454 PolarHBondContact O-N 3.33Å; L450-L454 VanDerWaalsContact O-N 3.09Å; L454-F456 HydrophobicContact CB-CD1 3.95Å; L454-F456 HydrophobicContact CB-CE1 3.63Å; L454-F456 HydrophobicContact CB-CZ 4.18Å; L454-F456 HydrophobicContact CD1-CE1 3.7Å; L454-F456 HydrophobicContact CD1-CZ 3.73Å; L454-F456 HydrophobicContact CD2-CE1 3.96Å; L454-F456 HydrophobicContact CG-CE1 3.96Å; L454-F456 HydrophobicContact CG-CZ 4.44Å; L454-F456 PolarHBondContact O-N 2.9Å; L454-F456 VanDerWaalsContact O-N 3.16Å; L454-L457 HydrophobicContact CB-CB 4.23Å; L454-L457 HydrophobicContact CB-CD1 3.97Å; L454-L457 HydrophobicContact CB-CG 3.99Å; L454-L457 HydrophobicContact CD1-CD1 3.75Å; L454-L457 HydrophobicContact CD1-CG 4.34Å; L454-L457 HydrophobicContact CG-CD1 4.43Å; L454-L457 WeakPolarHBondContact O-CB 3.39Å; L454-L457 PolarHBondContact O-N 3.37Å; L454-K458 PolarHBondContact O-N 2.97Å
455	P	71.3	Confident	71.5	Confident	67 Å²	67	42.7 Å²	42.7	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-53.9	-38.2	-177.5	-27.6	35.1	0	0	0	113.1	K453 L457 K458 D459	K453-P455 WeakPolarHBondContact O-CD 3.42Å; P455-L457 VanDerWaalsContact C-N 3.28Å; P455-L457 PolarHBondContact O-N 3.38Å; P455-K458 WeakPolarHBondContact O-CB 3.48Å; P455-K458 PolarHBondContact O-N 3.05Å; P455-K458 VanDerWaalsContact O-N 3.16Å; P455-D459 WeakPolarHBondContact O-CB 3.43Å; P455-D459 PolarHBondContact O-N 2.94Å
456	F	73.5	Confident	70.9	Confident	119 Å²	119	43 Å²	43	52%	0.522	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-32.1	178.5	74.9	-95.1	0	0	0	113.3	L454 F460	L454-F456 HydrophobicContact CB-CD1 3.95Å; L454-F456 HydrophobicContact CB-CE1 3.63Å; L454-F456 HydrophobicContact CB-CZ 4.18Å; L454-F456 HydrophobicContact CD1-CE1 3.7Å; L454-F456 HydrophobicContact CD1-CZ 3.73Å; L454-F456 HydrophobicContact CD2-CE1 3.96Å; L454-F456 HydrophobicContact CG-CE1 3.96Å; L454-F456 HydrophobicContact CG-CZ 4.44Å; L454-F456 PolarHBondContact O-N 2.9Å; L454-F456 VanDerWaalsContact O-N 3.16Å; F456-F460 WeakPolarHBondContact O-CB 3.47Å; F456-F460 PolarHBondContact O-N 2.94Å
457	L	71.7	Confident	70.2	Confident	39 Å²	39	47.6 Å²	47.6	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-72.6	-43.9	174.9	-69.4	-177.7	0	0	0	110.3	L450 V451 L454 P455 D459 F460 F461	L450-L457 HydrophobicContact CG-CD1 4.24Å; V451-L457 HydrophobicContact CG1-CB 4.33Å; V451-L457 HydrophobicContact CG2-CB 4.42Å; V451-L457 HydrophobicContact CG2-CD1 4.15Å; L454-L457 HydrophobicContact CB-CB 4.23Å; L454-L457 HydrophobicContact CB-CD1 3.97Å; L454-L457 HydrophobicContact CB-CG 3.99Å; L454-L457 HydrophobicContact CD1-CD1 3.75Å; L454-L457 HydrophobicContact CD1-CG 4.34Å; L454-L457 HydrophobicContact CG-CD1 4.43Å; L454-L457 WeakPolarHBondContact O-CB 3.39Å; L454-L457 PolarHBondContact O-N 3.37Å; P455-L457 VanDerWaalsContact C-N 3.28Å; P455-L457 PolarHBondContact O-N 3.38Å; L457-D459 PolarHBondContact O-N 2.85Å; L457-F460 PolarHBondContact O-N 2.86Å; L457-F461 WeakPolarHBondContact O-CD2 3.42Å; L457-F461 PolarHBondContact O-N 2.87Å
458	K	72.7	Confident	68.8	Low	38 Å²	38	49.7 Å²	49.7	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-55.8	-45.3	172.9	-68	-167.7	174.2	179	0	111	T127 F128 V451 N452 L454 P455 F461 L462	T127-K458 WeakPolarHBondContact O-CD 3.3Å; T127-K458 WeakPolarHBondContact O-CE 3.49Å; T127-K458 PolarHBondContact O-NZ 2.9Å; F128-K458 HydrophobicContact CD1-CB 4.27Å; F128-K458 HydrophobicContact CD1-CG 4.45Å; F128-K458 HydrophobicContact CE1-CB 4.18Å; F128-K458 HydrophobicContact CE1-CG 4.25Å; V451-K458 HydrophobicContact CG1-CG 4.48Å; V451-K458 WeakPolarHBondContact O-CG 3.47Å; N452-K458 WeakPolarHBondContact O-CE 3.4Å; N452-K458 PolarHBondContact O-NZ 3.43Å; N452-K458 VanDerWaalsContact O-NZ 3.17Å; N452-K458 VanDerWaalsContact OD1-CE 3.24Å; N452-K458 WeakPolarHBondContact OD1-CE 3.2Å; N452-K458 PolarHBondContact OD1-NZ 3.41Å; L454-K458 PolarHBondContact O-N 2.97Å; P455-K458 WeakPolarHBondContact O-CB 3.48Å; P455-K458 PolarHBondContact O-N 3.05Å; P455-K458 VanDerWaalsContact O-N 3.16Å; K458-F461 PolarHBondContact O-N 3.33Å; K458-L462 WeakPolarHBondContact O-CB 3.29Å; K458-L462 WeakPolarHBondContact O-CG 3.38Å; K458-L462 PolarHBondContact O-N 2.84Å
459	D	71.1	Confident	67.7	Low	71 Å²	71	55.8 Å²	55.8	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-43.6	179.7	-76.4	-31.9	0	0	0	111.8	K131 P455 L457 L462 D463	K131-D459 WeakPolarHBondContact CE-OD1 3.5Å; K131-D459 PolarHBondContact NZ-O 3.13Å; K131-D459 IonicContact NZ-OD1 2.77Å; K131-D459 PolarHBondContact NZ-OD1 2.94Å; P455-D459 WeakPolarHBondContact O-CB 3.43Å; P455-D459 PolarHBondContact O-N 2.94Å; L457-D459 PolarHBondContact O-N 2.85Å; D459-L462 PolarHBondContact O-N 2.8Å; D459-D463 WeakPolarHBondContact O-CB 3.45Å; D459-D463 PolarHBondContact O-N 2.93Å
460	F	71.5	Confident	66.3	Low	108 Å²	108	57.9 Å²	57.9	47%	0.474	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-46.1	175.7	176.3	-95.9	0	0	0	112.4	F456 L457 D463 M464	F456-F460 WeakPolarHBondContact O-CB 3.47Å; F456-F460 PolarHBondContact O-N 2.94Å; L457-F460 PolarHBondContact O-N 2.86Å; F460-D463 PolarHBondContact O-N 2.79Å; F460-M464 HydrophobicContact CE1-SD 4.27Å; F460-M464 HydrophobicContact CZ-SD 4.43Å; F460-M464 WeakPolarHBondContact O-CB 3.41Å; F460-M464 PolarHBondContact O-N 3.12Å
461	F	72.1	Confident	64.3	Low	91 Å²	91	63.3 Å²	63.3	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-43	178.5	-77.9	-67.1	0	0	0	112.2	F128 V451 L457 K458 D463 M464 A465	F128-F461 HydrophobicContact CE1-CB 4.3Å; V451-F461 HydrophobicContact CB-CE2 4.49Å; V451-F461 HydrophobicContact CG1-CD2 3.73Å; V451-F461 HydrophobicContact CG1-CE2 3.93Å; V451-F461 HydrophobicContact CG2-CD2 4.3Å; V451-F461 HydrophobicContact CG2-CE2 3.64Å; L457-F461 WeakPolarHBondContact O-CD2 3.42Å; L457-F461 PolarHBondContact O-N 2.87Å; K458-F461 PolarHBondContact O-N 3.33Å; F461-D463 VanDerWaalsContact C-N 3.34Å; F461-M464 PolarHBondContact O-N 3.41Å; F461-A465 PolarHBondContact O-N 3.43Å; F461-A465 VanDerWaalsContact O-N 3.08Å
462	L	72.7	Confident	62.2	Low	18 Å²	18	70.7 Å²	70.7	9%	0.094	37%	0.374	C	S	.	.	H	α-helix	trans	-61.2	-44.1	173.8	-81.3	171.6	0	0	0	111.2	F128 K131 I141 K458 D459 M464 A465 S466	F128-L462 HydrophobicContact CB-CD1 4.29Å; F128-L462 HydrophobicContact CB-CD2 4.1Å; F128-L462 HydrophobicContact CB-CG 4.42Å; F128-L462 HydrophobicContact CD1-CD1 3.9Å; F128-L462 HydrophobicContact CD1-CD2 4.07Å; F128-L462 HydrophobicContact CD1-CG 3.66Å; F128-L462 HydrophobicContact CE1-CG 4.32Å; F128-L462 HydrophobicContact CG-CD2 4.28Å; F128-L462 HydrophobicContact CG-CG 4.35Å; K131-L462 HydrophobicContact CG-CD1 4.5Å; I141-L462 HydrophobicContact CG1-CD2 4.22Å; I141-L462 HydrophobicContact CG2-CD2 4.05Å; K458-L462 WeakPolarHBondContact O-CB 3.29Å; K458-L462 WeakPolarHBondContact O-CG 3.38Å; K458-L462 PolarHBondContact O-N 2.84Å; D459-L462 PolarHBondContact O-N 2.8Å; L462-M464 VanDerWaalsContact C-N 3.34Å; L462-M464 PolarHBondContact O-N 2.9Å; L462-A465 CarbonylContact O-C 3.57Å; L462-A465 PolarHBondContact O-N 3.45Å; L462-A465 VanDerWaalsContact O-N 3.14Å; L462-S466 VanDerWaalsContact O-CB 3.24Å; L462-S466 WeakPolarHBondContact O-CB 3.41Å; L462-S466 PolarHBondContact O-N 3.4Å; L462-S466 PolarHBondContact O-OG 2.77Å
463	D	70.7	Confident	61.7	Low	33 Å²	33	73.6 Å²	73.6	18%	0.176	39%	0.39	C	S	.	.	H	α-helix	trans	-66.8	-37.1	179.5	-75.9	5.5	0	0	0	111.4	K131 D459 F460 F461 A465 S466 R467	K131-D463 IonicContact NZ-OD1 2.62Å; K131-D463 PolarHBondContact NZ-OD1 3Å; D459-D463 WeakPolarHBondContact O-CB 3.45Å; D459-D463 PolarHBondContact O-N 2.93Å; F460-D463 PolarHBondContact O-N 2.79Å; F461-D463 VanDerWaalsContact C-N 3.34Å; D463-A465 PolarHBondContact O-N 3.35Å; D463-S466 PolarHBondContact O-N 2.75Å; D463-R467 HydrophobicContact CB-CB 4.32Å; D463-R467 HydrophobicContact CB-CG 4.14Å; D463-R467 VanDerWaalsContact CG-CD 3.42Å; D463-R467 WeakPolarHBondContact O-CB 3.29Å; D463-R467 PolarHBondContact O-N 2.56Å; D463-R467 IonicContact OD1-CZ 3.16Å; D463-R467 IonicContact OD1-NE 2.72Å; D463-R467 PolarHBondContact OD1-NE 3.24Å; D463-R467 IonicContact OD1-NH1 3.48Å; D463-R467 WeakPolarHBondContact OD2-CD 3.49Å; D463-R467 IonicContact OD2-CZ 3.97Å; D463-R467 VanDerWaalsContact OD2-CZ 3.31Å; D463-R467 IonicContact OD2-NE 2.69Å; D463-R467 IonicContact OD2-NH1 2.89Å; D463-R467 PolarHBondContact OD2-NH1 3.34Å
464	M	66.2	Low	61.2	Low	58 Å²	58	77 Å²	77	29%	0.286	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-30.5	173.5	-175	162.4	164.8	0	0	112.3	I422 F460 F461 L462	I422-M464 HydrophobicContact CB-CE 4.32Å; I422-M464 HydrophobicContact CG1-CE 3.47Å; I422-M464 VanDerWaalsContact CG1-CE 3.47Å; F460-M464 HydrophobicContact CE1-SD 4.27Å; F460-M464 HydrophobicContact CZ-SD 4.43Å; F460-M464 WeakPolarHBondContact O-CB 3.41Å; F460-M464 PolarHBondContact O-N 3.12Å; F461-M464 PolarHBondContact O-N 3.41Å; L462-M464 VanDerWaalsContact C-N 3.34Å; L462-M464 PolarHBondContact O-N 2.9Å
465	A	61.7	Low	60.7	Low	43 Å²	43	80.1 Å²	80.1	36%	0.355	43%	0.425	S	S	.	.	H	α-helix	trans	-85.2	-27.5	175.4	0	0	0	0	0	113.8	S88 F461 L462 D463	S88-A465 VanDerWaalsContact CB-O 3.28Å; S88-A465 WeakPolarHBondContact CB-O 3.45Å; F461-A465 PolarHBondContact O-N 3.43Å; F461-A465 VanDerWaalsContact O-N 3.08Å; L462-A465 CarbonylContact O-C 3.57Å; L462-A465 PolarHBondContact O-N 3.45Å; L462-A465 VanDerWaalsContact O-N 3.14Å; D463-A465 PolarHBondContact O-N 3.35Å
466	S	63.3	Low	60.1	Low	6 Å²	6	80.8 Å²	80.8	4%	0.042	42%	0.424	C	S	.	.	H	α-helix	trans	-120.4	-26.7	-166	65	0	0	0	0	116.1	R90 L462 D463	R90-S466 WeakPolarHBondContact CB-O 3.46Å; R90-S466 PolarHBondContact N-O 2.92Å; L462-S466 VanDerWaalsContact O-CB 3.24Å; L462-S466 WeakPolarHBondContact O-CB 3.41Å; L462-S466 PolarHBondContact O-N 3.4Å; L462-S466 PolarHBondContact O-OG 2.77Å; D463-S466 PolarHBondContact O-N 2.75Å
467	R	57.3	Low	59.3	Low	141 Å²	141	78.4 Å²	78.4	53%	0.532	42%	0.418	S	S	.	.			trans	-95.1	140.4	-170.1	-77.6	-167.9	174	169.1	-12.1	114	D463 R469	D463-R467 HydrophobicContact CB-CB 4.32Å; D463-R467 HydrophobicContact CB-CG 4.14Å; D463-R467 VanDerWaalsContact CG-CD 3.42Å; D463-R467 WeakPolarHBondContact O-CB 3.29Å; D463-R467 PolarHBondContact O-N 2.56Å; D463-R467 IonicContact OD1-CZ 3.16Å; D463-R467 IonicContact OD1-NE 2.72Å; D463-R467 PolarHBondContact OD1-NE 3.24Å; D463-R467 IonicContact OD1-NH1 3.48Å; D463-R467 WeakPolarHBondContact OD2-CD 3.49Å; D463-R467 IonicContact OD2-CZ 3.97Å; D463-R467 VanDerWaalsContact OD2-CZ 3.31Å; D463-R467 IonicContact OD2-NE 2.69Å; D463-R467 IonicContact OD2-NH1 2.89Å; D463-R467 PolarHBondContact OD2-NH1 3.34Å; R467-R469 PolarHBondContact O-N 3.11Å
468	P	46.3	Very low	58.4	Low	75 Å²	75	81.1 Å²	81.1	49%	0.487	43%	0.432	S	S	.	.			trans	-70.3	114.9	165.5	29	-31.6	0	0	0	110.8	R90 F470	R90-P468 HydrophobicContact CG-CB 4.26Å; R90-P468 VanDerWaalsContact NH1-CA 3.27Å; P468-F470 PolarHBondContact O-N 2.94Å
469	R	49.9	Very low	57.4	Low	138 Å²	138	84.1 Å²	84.1	52%	0.521	45%	0.451	S	S	.	.			trans	-82	49.9	170.3	-69	-170.9	-168.1	169.2	4.2	111.8	R467	R467-R469 PolarHBondContact O-N 3.11Å
470	F	42.2	Very low	56.4	Low	52 Å²	52	85.2 Å²	85.2	23%	0.228	46%	0.457	C	S	.	.			trans	-119.6	43.8	-179.6	-66	-46.5	0	0	0	112.7	R90 I414 E418 P468	R90-F470 VanDerWaalsContact CZ-CE2 3.41Å; I414-F470 HydrophobicContact CG2-CE1 3.82Å; I414-F470 HydrophobicContact CG2-CZ 4.31Å; E418-F470 WeakPolarHBondContact OE1-CE1 3.5Å; E418-F470 WeakPolarHBondContact OE1-CZ 3.38Å; P468-F470 PolarHBondContact O-N 2.94Å
471	D	30.9	Very low	55.1	Low	171 Å²	171	83.3 Å²	83.3	91%	0.914	46%	0.455	S	S	*	.			trans	-137.3	87.2	156.2	-71.8	-43.5	0	0	0	106.8
472	A	27.9	Very low	53.6	Low	173 Å²	173	82.5 Å²	82.5	100%	1.43	46%	0.461	S	S	*	.			trans	-143.3	0	165.7	0	0	0	0	0	108.9

Retrieved 472 of 472 residues in 1290.1 ms (Link to these results)

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