A0A087XN85_POEFO Loading...

N-acetylgalactosamine-6-sulfatase

AlphaFold DB , UniProt , Accession A0A087XN85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 524 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	42.9	Very low	39.1	Very low	247 Å²	247	154 Å²	154	100%	1.217	85%	0.852	S	S	*	*				0	114	0	-83.3	165.5	155.6	0	0	107.9
2	R	35.9	Very low	39.4	Very low	253 Å²	253	152.8 Å²	152.8	96%	0.955	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-87.1	131.6	-176.6	-76.1	179.7	173.7	178.4	-3.1	109.5
3	V	39.5	Very low	39.4	Very low	140 Å²	140	148.8 Å²	148.8	85%	0.848	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.6	129.8	172.9	176.6	0	0	0	0	108.4
4	V	39.4	Very low	39.6	Very low	135 Å²	135	146.1 Å²	146.1	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-97.8	118.3	178.8	176.5	0	0	0	0	108.2
5	C	36	Very low	39.8	Very low	121 Å²	121	144.5 Å²	144.5	82%	0.818	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.7	128.4	166.6	-82.9	0	0	0	0	109.5
6	A	37.6	Very low	40	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-93.5	136.7	168.5	0	0	0	0	0	109.8
7	P	46.8	Very low	39.8	Very low	120 Å²	120	141.9 Å²	141.9	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-92.3	129.3	172.9	33.5	-28	0	0	0	111
8	T	39.4	Very low	39.5	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-78.1	116.6	170.2	-40.6	0	0	0	0	109
9	L	35.5	Very low	39.3	Very low	151 Å²	151	138.1 Å²	138.1	79%	0.791	80%	0.795	S	S	*	*			trans	-84.4	112.8	175.6	-138.3	86.4	0	0	0	109.2
10	I	42.4	Very low	39.1	Very low	143 Å²	143	139.2 Å²	139.2	73%	0.733	80%	0.797	S	S	*	*			trans	-86.3	113	169.5	-65.4	174.3	0	0	0	107.4	I12	I10-I12 HydrophobicContact CG2-CG1 4.33Å; I10-I12 PolarHBondContact O-N 3.3Å
11	L	35.3	Very low	38.9	Very low	157 Å²	157	138.6 Å²	138.6	82%	0.822	80%	0.796	S	S	*	*			trans	-75.4	106.2	171.7	-122.4	89.7	0	0	0	108.9	S13	L11-S13 PolarHBondContact O-N 3.43Å
12	I	42.1	Very low	38.5	Very low	140 Å²	140	135.3 Å²	135.3	72%	0.718	78%	0.778	S	S	*	*			trans	-84.1	104.5	167.4	-62.7	174.1	0	0	0	107	I10 V14	I10-I12 HydrophobicContact CG2-CG1 4.33Å; I10-I12 PolarHBondContact O-N 3.3Å; I12-V14 HydrophobicContact CG2-CG2 4.18Å; I12-V14 PolarHBondContact O-N 3.11Å; I12-V14 VanDerWaalsContact O-N 3.08Å
13	S	39.6	Very low	38.3	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	77%	0.773	S	S	*	*			trans	-70.1	97.3	168.5	176.1	0	0	0	0	108.7	L11 T15	L11-S13 PolarHBondContact O-N 3.43Å; S13-T15 PolarHBondContact O-N 3.08Å; S13-T15 VanDerWaalsContact O-N 3.11Å
14	V	42.1	Very low	38	Very low	111 Å²	111	134 Å²	134	67%	0.673	78%	0.775	S	S	*	*			trans	-74.5	95.5	167.3	-179.6	0	0	0	0	107.3	I12 I16	I12-V14 HydrophobicContact CG2-CG2 4.18Å; I12-V14 PolarHBondContact O-N 3.11Å; I12-V14 VanDerWaalsContact O-N 3.08Å; V14-I16 VanDerWaalsContact C-N 3.29Å; V14-I16 HydrophobicContact CG1-CG1 3.95Å; V14-I16 PolarHBondContact O-N 2.96Å
15	T	42.9	Very low	37.7	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	77%	0.769	S	S	*	*			trans	-69.6	92.3	166.8	-24.2	0	0	0	0	107	S13 C17	S13-T15 PolarHBondContact O-N 3.08Å; S13-T15 VanDerWaalsContact O-N 3.11Å; T15-C17 VanDerWaalsContact C-N 3.26Å; T15-C17 PolarHBondContact O-N 2.88Å
16	I	43.2	Very low	37.9	Very low	133 Å²	133	135 Å²	135	68%	0.682	78%	0.775	S	S	*	*			trans	-64.9	95.7	168	-63.5	174.4	0	0	0	105.7	V14 C18	V14-I16 VanDerWaalsContact C-N 3.29Å; V14-I16 HydrophobicContact CG1-CG1 3.95Å; V14-I16 PolarHBondContact O-N 2.96Å; I16-C18 PolarHBondContact O-N 2.89Å
17	C	36.1	Very low	38.6	Very low	112 Å²	112	133.1 Å²	133.1	76%	0.757	76%	0.764	S	S	*	*			trans	-69.3	85.9	166.3	-152.5	0	0	0	0	105.9	T15 S19	T15-C17 VanDerWaalsContact C-N 3.26Å; T15-C17 PolarHBondContact O-N 2.88Å; C17-S19 PolarHBondContact O-N 2.89Å
18	C	34.4	Very low	39.8	Very low	106 Å²	106	131.4 Å²	131.4	72%	0.716	76%	0.755	S	S	*	*			trans	-61.3	96.1	164.3	-103	0	0	0	0	106.4	I16 L20	I16-C18 PolarHBondContact O-N 2.89Å; C18-L20 PolarHBondContact O-N 2.83Å
19	S	35.7	Very low	42.2	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	73%	0.725	S	S	*	*			trans	-57.5	95.1	158.7	-42.8	0	0	0	0	106.3	C17 T21	C17-S19 PolarHBondContact O-N 2.89Å; S19-T21 PolarHBondContact O-N 2.94Å
20	L	35.9	Very low	45.2	Very low	160 Å²	160	119.6 Å²	119.6	84%	0.838	69%	0.691	S	S	*	*			trans	-57.2	92.3	158.3	-86.7	144.6	0	0	0	105.1	C18 E22	C18-L20 PolarHBondContact O-N 2.83Å; L20-E22 PolarHBondContact O-N 2.8Å
21	T	35.3	Very low	47.9	Very low	127 Å²	127	113.3 Å²	113.3	78%	0.779	66%	0.658	S	S	*	*			trans	-59.9	99.4	152.4	25.1	0	0	0	0	103.7	S19 K23	S19-T21 PolarHBondContact O-N 2.94Å; T21-K23 PolarHBondContact O-N 3.01Å
22	E	33.7	Very low	50.9	Low	178 Å²	178	105.8 Å²	105.8	83%	0.832	62%	0.619	S	S	*	*			trans	-52.5	99.9	159.9	-77.6	-178.9	157.5	0	0	105.4	L20 L24	L20-E22 PolarHBondContact O-N 2.8Å; E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 2.79Å
23	K	31.2	Very low	53.6	Low	198 Å²	198	99.1 Å²	99.1	86%	0.861	59%	0.585	S	S	*	*			trans	-49.9	114.5	150.6	-89.2	-178.4	172.3	-178	0	103.5	T21 S25	T21-K23 PolarHBondContact O-N 3.01Å; K23-S25 PolarHBondContact O-N 3Å
24	L	33.3	Very low	56.4	Low	168 Å²	168	94.3 Å²	94.3	88%	0.88	55%	0.551	S	S	*	*			trans	-38	122.3	162	-92.9	119.3	0	0	0	105.7	E22 N26	E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 2.79Å; L24-N26 PolarHBondContact O-N 3.4Å
25	S	32.6	Very low	59.1	Low	100 Å²	100	89 Å²	89	70%	0.699	52%	0.519	S	S	*	.			trans	-40.8	140	174.2	59.6	0	0	0	0	108	K23 G27	K23-S25 PolarHBondContact O-N 3Å; S25-G27 PolarHBondContact O-N 3.34Å
26	N	39.9	Very low	61.8	Low	177 Å²	177	83.2 Å²	83.2	95%	0.947	48%	0.484	S	S	*	.			trans	-57.6	71.7	170.7	-150.3	33.4	0	0	0	108.6	L24 S28	L24-N26 PolarHBondContact O-N 3.4Å; N26-S28 PolarHBondContact O-N 2.58Å
27	G	53	Low	64.4	Low	52 Å²	52	76.9 Å²	76.9	54%	0.536	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-66.4	129.5	-171.1	0	0	0	0	0	106.3	S25 S29	S25-G27 PolarHBondContact O-N 3.34Å; G27-S29 PolarHBondContact O-N 3.09Å
28	S	72.9	Confident	67.4	Low	84 Å²	84	71.6 Å²	71.6	59%	0.587	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-47.7	129.4	171.8	48.2	0	0	0	0	108.9	N26 N280	N26-S28 PolarHBondContact O-N 2.58Å; S28-N280 PolarHBondContact O-OD1 2.96Å; S28-N280 PolarHBondContact OG-OD1 3.12Å
29	S	89.9	Confident	70.5	Confident	28 Å²	28	66.7 Å²	66.7	20%	0.196	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-51.4	134.3	172.5	-54.7	0	0	0	0	109.2	G27 N130 Y132	G27-S29 PolarHBondContact O-N 3.09Å; S29-N130 PolarHBondContact OG-ND2 3.13Å; S29-N130 VanDerWaalsContact OG-ND2 3.17Å; S29-Y132 VanDerWaalsContact CB-OH 3.28Å; S29-Y132 WeakPolarHBondContact CB-OH 3.39Å
30	P	97.1	Very high	73.5	Confident	10 Å²	10	61.8 Å²	61.8	7%	0.065	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67.8	148	-176	29.1	-35	0	0	0	110.1	Y132 N280 W326 L352	P30-Y132 VanDerWaalsContact O-CE1 3.29Å; P30-Y132 WeakPolarHBondContact O-CE1 3.28Å; P30-Y132 VanDerWaalsContact O-CZ 3.31Å; P30-Y132 PolarHBondContact O-OH 2.79Å; P30-N280 CarbonylContact C-O 3.55Å; P30-N280 WeakPolarHBondContact CA-O 3.29Å; P30-W326 HydrophobicContact CB-CH2 4.12Å; P30-W326 HydrophobicContact CB-CZ2 3.67Å; P30-W326 HydrophobicContact CG-CH2 4Å; P30-W326 HydrophobicContact CG-CZ2 4.07Å; P30-L352 VanDerWaalsContact CD-O 3.25Å; P30-L352 WeakPolarHBondContact CD-O 3.4Å; P30-L352 HydrophobicContact CG-CB 4.14Å
31	N	98.8	Very high	76.5	Confident	11 Å²	11	54.1 Å²	54.1	6%	0.059	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.3	166.8	-52.6	-50.3	0	0	0	109.4	F226 N280 T281 F282	N31-F226 WeakPolarHBondContact CA-O 3.46Å; N31-F226 HydrophobicContact CB-CD1 3.93Å; N31-F226 HydrophobicContact CB-CD2 4.11Å; N31-F226 HydrophobicContact CB-CE1 3.63Å; N31-F226 HydrophobicContact CB-CE2 3.8Å; N31-F226 HydrophobicContact CB-CG 4.17Å; N31-F226 HydrophobicContact CB-CZ 3.55Å; N31-F226 VanDerWaalsContact CG-CD1 3.47Å; N31-F226 WeakPolarHBondContact ND2-CE1 3.35Å; N31-F226 WeakPolarHBondContact OD1-CD1 3.11Å; N31-F226 WeakPolarHBondContact OD1-CE1 3.44Å; N31-F226 PolarHBondContact OD1-N 2.79Å; N31-N280 PolarHBondContact N-O 2.55Å; N31-N280 PolarHBondContact ND2-O 3.31Å; N31-T281 HydrophobicContact CB-CG2 3.82Å; N31-T281 PolarHBondContact ND2-OG1 3.24Å; N31-T281 VanDerWaalsContact ND2-OG1 3.09Å; N31-T281 CarbonylContact O-C 3.57Å; N31-T281 WeakPolarHBondContact O-CA 3.43Å; N31-F282 PolarHBondContact O-N 3.34Å
32	I	98.9	Very high	79.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.7	-178.5	-60.5	173.6	0	0	0	108.4	I34 L127 Y132 F226 F227 L228 F282 L352	I32-I34 HydrophobicContact CG2-CG1 4.36Å; I32-L127 HydrophobicContact CD1-CD1 4.42Å; I32-L127 HydrophobicContact CD1-CD2 4.1Å; I32-Y132 HydrophobicContact CD1-CE1 4.02Å; I32-Y132 HydrophobicContact CG1-CE1 4.13Å; I32-F226 PolarHBondContact N-O 2.97Å; I32-F227 HydrophobicContact CB-CD2 4.06Å; I32-F227 HydrophobicContact CG2-CD2 3.79Å; I32-F227 HydrophobicContact CG2-CE2 4.14Å; I32-F227 CarbonylContact O-C 3.42Å; I32-F227 VanDerWaalsContact O-CA 3.27Å; I32-F227 WeakPolarHBondContact O-CA 3.37Å; I32-L228 PolarHBondContact O-N 3.43Å; I32-F282 CarbonylContact C-O 3.32Å; I32-F282 WeakPolarHBondContact CA-O 3.39Å; I32-F282 HydrophobicContact CG2-CD1 4.38Å; I32-L352 HydrophobicContact CD1-CB 4.49Å
33	I	98.9	Very high	82.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.9	172.2	-53.2	-174.8	0	0	0	108.5	M35 I216 F226 L228 I268 L272 T281 F282 V283 F284	I33-M35 HydrophobicContact CG2-CE 4.04Å; I33-M35 HydrophobicContact CG2-CG 4.06Å; I33-I216 HydrophobicContact CD1-CD1 3.94Å; I33-I216 HydrophobicContact CD1-CG1 4.5Å; I33-F226 HydrophobicContact CD1-CE2 3.95Å; I33-F226 HydrophobicContact CD1-CZ 4.43Å; I33-F226 HydrophobicContact CG1-CE2 3.82Å; I33-L228 CarbonylContact C-O 3.54Å; I33-L228 WeakPolarHBondContact CA-O 3.34Å; I33-L228 HydrophobicContact CG1-CB 4.19Å; I33-L228 HydrophobicContact CG2-CB 4.25Å; I33-L228 HydrophobicContact CG2-CD2 4.19Å; I33-L228 HydrophobicContact CG2-CG 4.34Å; I33-I268 HydrophobicContact CD1-CG2 4.15Å; I33-L272 HydrophobicContact CD1-CD1 4.07Å; I33-L272 HydrophobicContact CD1-CD2 4.21Å; I33-T281 HydrophobicContact CD1-CG2 3.97Å; I33-T281 HydrophobicContact CG1-CG2 4.04Å; I33-F282 PolarHBondContact N-O 3.25Å; I33-V283 HydrophobicContact CB-CB 4.45Å; I33-V283 HydrophobicContact CB-CG1 4.17Å; I33-V283 HydrophobicContact CB-CG2 4.13Å; I33-V283 HydrophobicContact CD1-CG2 4.25Å; I33-V283 HydrophobicContact CG1-CG2 4.4Å; I33-V283 HydrophobicContact CG2-CG1 4.28Å; I33-V283 CarbonylContact O-C 3.53Å; I33-V283 WeakPolarHBondContact O-CA 3.12Å; I33-F284 PolarHBondContact O-N 3.43Å
34	I	98.9	Very high	85.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.3	170.3	-63.6	175.7	0	0	0	107.6	I32 L85 L123 F227 L228 Y229 W230 L345	I32-I34 HydrophobicContact CG2-CG1 4.36Å; I34-L85 HydrophobicContact CD1-CD2 4.27Å; I34-L85 HydrophobicContact CG2-CD1 4.13Å; I34-L123 HydrophobicContact CD1-CD2 4.11Å; I34-F227 HydrophobicContact CB-CE2 4.33Å; I34-F227 HydrophobicContact CD1-CE2 3.87Å; I34-F227 HydrophobicContact CD1-CZ 4.27Å; I34-F227 HydrophobicContact CG1-CE2 4.04Å; I34-L228 PolarHBondContact N-O 3.42Å; I34-Y229 HydrophobicContact CB-CD2 4.21Å; I34-Y229 HydrophobicContact CG2-CD2 4.11Å; I34-Y229 HydrophobicContact CG2-CE2 4.27Å; I34-W230 PolarHBondContact O-N 3.02Å; I34-L345 HydrophobicContact CD1-CB 4.07Å; I34-L345 HydrophobicContact CD1-CD1 4.47Å; I34-L345 HydrophobicContact CG2-CD1 4.17Å
35	M	98.9	Very high	88.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.6	173.5	-58.9	177.9	179.1	0	0	108.1	I33 M37 W230 V265 I268 V283 F284 F285 T286	I33-M35 HydrophobicContact CG2-CE 4.04Å; I33-M35 HydrophobicContact CG2-CG 4.06Å; M35-M37 HydrophobicContact CB-CE 4.07Å; M35-W230 CarbonylContact C-O 3.53Å; M35-W230 WeakPolarHBondContact CA-O 3.44Å; M35-W230 HydrophobicContact CB-CE3 4.45Å; M35-W230 HydrophobicContact CG-CB 4.44Å; M35-W230 HydrophobicContact CG-CE3 4.49Å; M35-V265 HydrophobicContact CE-CG1 4.43Å; M35-V265 HydrophobicContact SD-CB 4.3Å; M35-V265 HydrophobicContact SD-CG1 3.97Å; M35-V265 HydrophobicContact SD-CG2 3.7Å; M35-I268 HydrophobicContact CE-CB 3.91Å; M35-I268 HydrophobicContact CE-CD1 3.85Å; M35-I268 HydrophobicContact CE-CG1 4.49Å; M35-I268 HydrophobicContact CE-CG2 3.55Å; M35-V283 HydrophobicContact CE-CG1 3.82Å; M35-V283 HydrophobicContact SD-CG1 4.2Å; M35-F284 PolarHBondContact N-O 3.49Å; M35-F285 HydrophobicContact CB-CB 4.49Å; M35-F285 HydrophobicContact CB-CD2 4.04Å; M35-F285 WeakPolarHBondContact O-CA 3.48Å; M35-T286 PolarHBondContact O-N 3.04Å
36	L	98.9	Very high	92.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.8	-177.5	-173.1	72.8	0	0	0	110.3	R82 L85 Y229 W230 A231 T286 D288	L36-R82 HydrophobicContact CD2-CG 3.79Å; L36-L85 HydrophobicContact CD1-CD1 3.97Å; L36-L85 HydrophobicContact CD2-CD1 3.98Å; L36-L85 HydrophobicContact CG-CD1 4.45Å; L36-Y229 HydrophobicContact CB-CE2 3.89Å; L36-Y229 HydrophobicContact CD2-CE2 3.98Å; L36-Y229 WeakPolarHBondContact CD2-OH 3.27Å; L36-W230 PolarHBondContact N-O 3.34Å; L36-A231 WeakPolarHBondContact O-CA 3.47Å; L36-T286 WeakPolarHBondContact CA-O 3.34Å; L36-T286 HydrophobicContact CD1-CG2 3.72Å; L36-D288 HydrophobicContact CD1-CB 4.25Å; L36-D288 HydrophobicContact CD2-CB 4.05Å; L36-D288 HydrophobicContact CG-CB 4.22Å
37	M	98.8	Very high	94.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	168.3	176.6	-54.4	-56.3	93.3	0	0	111.1	M35 M40 W230 L261 F285 T286 D288	M35-M37 HydrophobicContact CB-CE 4.07Å; M37-M40 HydrophobicContact CB-CB 3.79Å; M37-M40 HydrophobicContact CB-CE 4.01Å; M37-M40 HydrophobicContact CB-SD 4.29Å; M37-M40 HydrophobicContact CG-CB 4.45Å; M37-M40 HydrophobicContact CG-CE 3.64Å; M37-M40 HydrophobicContact CG-SD 3.9Å; M37-M40 HydrophobicContact SD-CE 4.07Å; M37-W230 HydrophobicContact CE-CE3 3.82Å; M37-W230 HydrophobicContact CE-CZ3 3.69Å; M37-W230 HydrophobicContact SD-CZ3 4.41Å; M37-L261 HydrophobicContact SD-CD1 4.04Å; M37-L261 HydrophobicContact SD-CD2 4.38Å; M37-F285 HydrophobicContact CE-CD2 4.35Å; M37-F285 HydrophobicContact CE-CE2 3.97Å; M37-F285 HydrophobicContact CG-CD2 4.43Å; M37-F285 HydrophobicContact CG-CE2 3.48Å; M37-F285 VanDerWaalsContact CG-CE2 3.48Å; M37-F285 HydrophobicContact CG-CZ 3.53Å; M37-F285 HydrophobicContact SD-CE2 3.63Å; M37-F285 HydrophobicContact SD-CZ 4.2Å; M37-T286 WeakPolarHBondContact CG-O 3.31Å; M37-T286 PolarHBondContact N-O 2.76Å; M37-D288 PolarHBondContact O-N 3.36Å; M37-D288 VanDerWaalsContact O-N 3.16Å
38	D	98.7	Very high	97	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-125.4	117.4	-177.3	-162.4	19.1	0	0	0	108.9	M40 C78 R82 K139 D233 T235 H236 D288	D38-M40 VanDerWaalsContact C-N 3.29Å; D38-M40 PolarHBondContact O-N 2.99Å; D38-C78 PolarHBondContact OD1-SG 2.7Å; D38-R82 IonicContact OD1-NH2 3.5Å; D38-K139 IonicContact OD1-NZ 3.36Å; D38-K139 PolarHBondContact OD1-NZ 3.11Å; D38-K139 VanDerWaalsContact OD2-CE 3.22Å; D38-K139 WeakPolarHBondContact OD2-CE 3.25Å; D38-K139 IonicContact OD2-NZ 2.91Å; D38-K139 PolarHBondContact OD2-NZ 2.88Å; D38-D233 HydrophobicContact CB-CB 4.08Å; D38-D233 VanDerWaalsContact OD2-CB 3.24Å; D38-D233 WeakPolarHBondContact OD2-CB 3.4Å; D38-T235 WeakPolarHBondContact O-CB 3.25Å; D38-T235 PolarHBondContact O-OG1 3.3Å; D38-H236 HydrophobicContact CB-CB 4.13Å; D38-H236 IonicContact OD1-CD2 3.27Å; D38-H236 WeakPolarHBondContact OD2-CB 3.42Å; D38-H236 IonicContact OD2-CD2 3.92Å; D38-H236 PolarHBondContact OD2-CD2 3.43Å; D38-H236 IonicContact OD2-CG 2.96Å; D38-D288 WeakPolarHBondContact CA-OD1 3.28Å
39	D	98.4	Very high	98.2	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.016	8%	0.078	C	C	.	.	S	Bend	trans	58.3	33.9	-177.1	-58.9	-7.1	0	0	0	114.6	H236 Y254 D288 N289 A292 K310	D39-H236 IonicContact OD1-CD2 2.75Å; D39-H236 IonicContact OD2-CD2 2.96Å; D39-H236 PolarHBondContact OD2-CD2 3.37Å; D39-H236 IonicContact OD2-CG 2.98Å; D39-H236 IonicContact OD2-NE2 3.88Å; D39-Y254 PolarHBondContact O-OH 2.65Å; D39-D288 PolarHBondContact N-OD1 3.11Å; D39-N289 PolarHBondContact OD1-ND2 3.28Å; D39-A292 HydrophobicContact CB-CB 4.13Å; D39-A292 WeakPolarHBondContact OD2-CB 3.43Å; D39-K310 WeakPolarHBondContact OD1-CD 3.39Å; D39-K310 WeakPolarHBondContact OD1-CE 3.29Å; D39-K310 IonicContact OD1-NZ 4Å; D39-K310 PolarHBondContact OD1-NZ 3.11Å; D39-K310 IonicContact OD2-NZ 2.73Å; D39-K310 PolarHBondContact OD2-NZ 3.15Å
40	M	98.8	Very high	98.6	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	7%	0.072	C	C	.	.			trans	-96.4	115.4	171.6	-169.9	178.9	-63.7	0	0	110.6	M37 D38 D44 L45 T235 Y254 V258 L261 F285 S287	M37-M40 HydrophobicContact CB-CB 3.79Å; M37-M40 HydrophobicContact CB-CE 4.01Å; M37-M40 HydrophobicContact CB-SD 4.29Å; M37-M40 HydrophobicContact CG-CB 4.45Å; M37-M40 HydrophobicContact CG-CE 3.64Å; M37-M40 HydrophobicContact CG-SD 3.9Å; M37-M40 HydrophobicContact SD-CE 4.07Å; D38-M40 VanDerWaalsContact C-N 3.29Å; D38-M40 PolarHBondContact O-N 2.99Å; M40-D44 HydrophobicContact CG-CB 3.7Å; M40-D44 HydrophobicContact SD-CB 4.43Å; M40-L45 HydrophobicContact SD-CD1 3.68Å; M40-T235 HydrophobicContact CE-CG2 4.23Å; M40-Y254 WeakPolarHBondContact CA-OH 3.42Å; M40-V258 HydrophobicContact CE-CG2 4.35Å; M40-L261 HydrophobicContact CE-CD1 4.08Å; M40-F285 HydrophobicContact CE-CZ 4.46Å; M40-F285 HydrophobicContact SD-CE1 4.36Å; M40-F285 HydrophobicContact SD-CZ 3.75Å; M40-S287 PolarHBondContact N-OG 2.87Å; M40-S287 WeakPolarHBondContact O-CB 3.32Å; M40-S287 PolarHBondContact O-OG 3.26Å
41	G	98.6	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.106	C	C	.	.			trans	-81.5	166	179.4	0	0	0	0	0	113.8	G43 D44 S302 N303	G41-G43 PolarHBondContact O-N 2.82Å; G41-G43 VanDerWaalsContact O-N 3.15Å; G41-D44 WeakPolarHBondContact CA-OD2 3.44Å; G41-D44 PolarHBondContact N-OD2 3.17Å; G41-D44 WeakPolarHBondContact O-CB 3.45Å; G41-D44 PolarHBondContact O-N 2.93Å; G41-S302 CarbonylContact C-O 3.57Å; G41-S302 VanDerWaalsContact C-O 3.32Å; G41-S302 WeakPolarHBondContact CA-O 3.21Å; G41-N303 VanDerWaalsContact CA-OD1 3.27Å; G41-N303 WeakPolarHBondContact CA-OD1 3.36Å
42	W	98.8	Very high	98.6	Very high	31 Å²	31	17.3 Å²	17.3	12%	0.117	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-56.4	-32.7	-179.8	-164.2	97.5	0	0	0	113.8	D44 L48 T69 F306	W42-D44 VanDerWaalsContact C-N 3.29Å; W42-D44 PolarHBondContact O-N 3.37Å; W42-L48 HydrophobicContact CD2-CD1 4.16Å; W42-L48 HydrophobicContact CD2-CD2 4.41Å; W42-L48 HydrophobicContact CE3-CB 4.06Å; W42-L48 HydrophobicContact CG-CD1 4.43Å; W42-L48 HydrophobicContact CH2-CB 4.29Å; W42-L48 HydrophobicContact CH2-CD2 3.78Å; W42-L48 HydrophobicContact CZ2-CD2 3.61Å; W42-L48 HydrophobicContact CZ3-CB 3.94Å; W42-L48 HydrophobicContact CZ3-CD2 4.26Å; W42-L48 VanDerWaalsContact CZ3-O 3.29Å; W42-L48 WeakPolarHBondContact CZ3-O 3.45Å; W42-L48 VanDerWaalsContact O-CB 3.29Å; W42-L48 WeakPolarHBondContact O-CB 3.47Å; W42-L48 WeakPolarHBondContact O-CD1 3.47Å; W42-T69 HydrophobicContact CZ2-CG2 4.47Å; W42-T69 PolarHBondContact NE1-O 3.42Å; W42-F306 HydrophobicContact CB-CD2 3.96Å; W42-F306 HydrophobicContact CB-CE2 3.96Å; W42-F306 AromaticContact CD1-CE2 3.91Å; W42-F306 HydrophobicContact CD2-CD2 4.3Å; W42-F306 AromaticContact CD2-CE2 3.49Å; W42-F306 HydrophobicContact CD2-CE2 3.49Å; W42-F306 VanDerWaalsContact CD2-CE2 3.49Å; W42-F306 HydrophobicContact CD2-CZ 4.39Å; W42-F306 AromaticContact CE2-CE2 3.84Å; W42-F306 AromaticContact CE3-CE2 3.87Å; W42-F306 HydrophobicContact CE3-CE2 3.87Å; W42-F306 HydrophobicContact CG-CD2 4.05Å; W42-F306 AromaticContact CG-CE2 3.53Å; W42-F306 HydrophobicContact CG-CE2 3.53Å; W42-F306 HydrophobicContact CZ2-CE2 4.49Å
43	G	98.5	Very high	98.5	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.031	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-86.3	10.6	-176.1	0	0	0	0	0	114.9	G41 Q50 S302	G41-G43 PolarHBondContact O-N 2.82Å; G41-G43 VanDerWaalsContact O-N 3.15Å; G43-Q50 WeakPolarHBondContact O-CB 3.34Å; G43-Q50 WeakPolarHBondContact O-CG 3.24Å; G43-S302 CarbonylContact C-O 3.59Å; G43-S302 VanDerWaalsContact CA-O 3.24Å; G43-S302 WeakPolarHBondContact CA-O 3.39Å; G43-S302 PolarHBondContact N-O 3.5Å
44	D	98.7	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-88.7	-18	-172	-72.9	-36.5	0	0	0	115.2	M40 G41 W42 R251 Y254 G301 S302	M40-D44 HydrophobicContact CG-CB 3.7Å; M40-D44 HydrophobicContact SD-CB 4.43Å; G41-D44 WeakPolarHBondContact CA-OD2 3.44Å; G41-D44 PolarHBondContact N-OD2 3.17Å; G41-D44 WeakPolarHBondContact O-CB 3.45Å; G41-D44 PolarHBondContact O-N 2.93Å; W42-D44 VanDerWaalsContact C-N 3.29Å; W42-D44 PolarHBondContact O-N 3.37Å; D44-R251 PolarHBondContact O-NH1 3.06Å; D44-R251 IonicContact OD1-CZ 2.96Å; D44-R251 IonicContact OD1-NH1 3.15Å; D44-R251 IonicContact OD1-NH2 2.9Å; D44-R251 PolarHBondContact OD1-NH2 2.99Å; D44-Y254 PolarHBondContact OD2-OH 2.92Å; D44-G301 VanDerWaalsContact OD1-CA 3.25Å; D44-G301 WeakPolarHBondContact OD1-CA 3.46Å; D44-G301 WeakPolarHBondContact OD2-CA 3.31Å; D44-S302 PolarHBondContact OD1-N 3.02Å; D44-S302 PolarHBondContact OD2-N 3.23Å
45	L	98.8	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-94.5	144.3	179.6	-84.7	61.6	0	0	0	111.9	M40 V47 L48 G49 Q50 T55 L58 F285 P321 I323	M40-L45 HydrophobicContact SD-CD1 3.68Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 HydrophobicContact CB-CG1 4.2Å; L45-V47 HydrophobicContact CD2-CG1 4.35Å; L45-V47 PolarHBondContact O-N 3.46Å; L45-L48 HydrophobicContact CB-CB 4.27Å; L45-L48 HydrophobicContact CB-CD1 4.28Å; L45-L48 HydrophobicContact CB-CG 4.26Å; L45-L48 CarbonylContact O-C 3.58Å; L45-L48 WeakPolarHBondContact O-CA 3.35Å; L45-L48 PolarHBondContact O-N 3.42Å; L45-G49 PolarHBondContact O-N 3.4Å; L45-Q50 VanDerWaalsContact O-CB 3.26Å; L45-Q50 WeakPolarHBondContact O-CB 3.45Å; L45-Q50 PolarHBondContact O-N 3.05Å; L45-Q50 VanDerWaalsContact O-N 3.07Å; L45-T55 HydrophobicContact CG-CG2 4.48Å; L45-L58 HydrophobicContact CD1-CD1 4.24Å; L45-L58 HydrophobicContact CD2-CB 3.99Å; L45-L58 HydrophobicContact CD2-CD1 4.21Å; L45-L58 HydrophobicContact CG-CB 4.29Å; L45-L58 HydrophobicContact CG-CD1 4.08Å; L45-F285 HydrophobicContact CD1-CE1 4.15Å; L45-F285 HydrophobicContact CD1-CZ 4.37Å; L45-F285 HydrophobicContact CD2-CE1 3.97Å; L45-P321 HydrophobicContact CD1-CB 4.2Å; L45-P321 HydrophobicContact CD1-CG 4.4Å; L45-P321 HydrophobicContact CD2-CB 4.27Å; L45-I323 HydrophobicContact CD2-CD1 3.78Å
46	G	98.8	Very high	98.5	Very high	9 Å²	9	29.3 Å²	29.3	9%	0.093	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-56.3	-45.5	175.3	0	0	0	0	0	112.6	L48 G49 T55 D59	G46-L48 PolarHBondContact O-N 3.17Å; G46-G49 PolarHBondContact O-N 3Å; G46-T55 PolarHBondContact N-OG1 3.04Å; G46-D59 PolarHBondContact N-OD1 3.27Å
47	V	98.6	Very high	98.5	Very high	60 Å²	60	31.9 Å²	31.9	36%	0.364	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-63.3	-22.1	176.4	70	0	0	0	0	113.4	L45 D59 A62 L67	L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 HydrophobicContact CB-CG1 4.2Å; L45-V47 HydrophobicContact CD2-CG1 4.35Å; L45-V47 PolarHBondContact O-N 3.46Å; V47-D59 HydrophobicContact CB-CB 4.37Å; V47-D59 WeakPolarHBondContact CB-OD1 3.4Å; V47-D59 VanDerWaalsContact N-CG 3.35Å; V47-D59 PolarHBondContact N-OD1 2.91Å; V47-D59 PolarHBondContact N-OD2 2.79Å; V47-A62 HydrophobicContact CG1-CB 4.09Å; V47-A62 HydrophobicContact CG2-CB 4.13Å; V47-L67 HydrophobicContact CG2-CD2 4.3Å
48	L	98.4	Very high	98.5	Very high	18 Å²	18	32 Å²	32	9%	0.094	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-94.9	8.6	175.2	-65.4	178.2	0	0	0	113.2	W42 L45 G46 L67 P321	W42-L48 HydrophobicContact CD2-CD1 4.16Å; W42-L48 HydrophobicContact CD2-CD2 4.41Å; W42-L48 HydrophobicContact CE3-CB 4.06Å; W42-L48 HydrophobicContact CG-CD1 4.43Å; W42-L48 HydrophobicContact CH2-CB 4.29Å; W42-L48 HydrophobicContact CH2-CD2 3.78Å; W42-L48 HydrophobicContact CZ2-CD2 3.61Å; W42-L48 HydrophobicContact CZ3-CB 3.94Å; W42-L48 HydrophobicContact CZ3-CD2 4.26Å; W42-L48 VanDerWaalsContact CZ3-O 3.29Å; W42-L48 WeakPolarHBondContact CZ3-O 3.45Å; W42-L48 VanDerWaalsContact O-CB 3.29Å; W42-L48 WeakPolarHBondContact O-CB 3.47Å; W42-L48 WeakPolarHBondContact O-CD1 3.47Å; L45-L48 HydrophobicContact CB-CB 4.27Å; L45-L48 HydrophobicContact CB-CD1 4.28Å; L45-L48 HydrophobicContact CB-CG 4.26Å; L45-L48 CarbonylContact O-C 3.58Å; L45-L48 WeakPolarHBondContact O-CA 3.35Å; L45-L48 PolarHBondContact O-N 3.42Å; G46-L48 PolarHBondContact O-N 3.17Å; L48-L67 HydrophobicContact CD2-CD1 4.04Å; L48-L67 HydrophobicContact CD2-CD2 3.85Å; L48-L67 HydrophobicContact CD2-CG 4.35Å; L48-P321 HydrophobicContact CD1-CB 3.59Å
49	G	98.2	Very high	98.5	Very high	59 Å²	59	33.8 Å²	33.8	61%	0.608	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.6	13.3	172.1	0	0	0	0	0	114.7	L45 G46 P51	L45-G49 PolarHBondContact O-N 3.4Å; G46-G49 PolarHBondContact O-N 3Å; G49-P51 WeakPolarHBondContact O-CD 3.23Å
50	Q	98.3	Very high	98.5	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.07	22%	0.218	C	C	.	.			trans	-59.7	123.9	171.7	-161.7	-73.9	-32.3	0	0	109.8	G43 L45 S52 K53 R251	G43-Q50 WeakPolarHBondContact O-CB 3.34Å; G43-Q50 WeakPolarHBondContact O-CG 3.24Å; L45-Q50 VanDerWaalsContact O-CB 3.26Å; L45-Q50 WeakPolarHBondContact O-CB 3.45Å; L45-Q50 PolarHBondContact O-N 3.05Å; L45-Q50 VanDerWaalsContact O-N 3.07Å; Q50-S52 PolarHBondContact NE2-OG 3.46Å; Q50-S52 VanDerWaalsContact NE2-OG 3.12Å; Q50-S52 PolarHBondContact O-N 3.38Å; Q50-S52 VanDerWaalsContact OE1-CA 3.23Å; Q50-S52 VanDerWaalsContact OE1-CB 3.23Å; Q50-K53 PolarHBondContact O-N 2.94Å; Q50-R251 VanDerWaalsContact NE2-CD 3.26Å
51	P	98.4	Very high	98.5	Very high	117 Å²	117	35.5 Å²	35.5	76%	0.76	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.7	-168.8	-27.8	36.2	0	0	0	116.3	G49 K53	G49-P51 WeakPolarHBondContact O-CD 3.23Å; P51-K53 VanDerWaalsContact C-N 3.34Å
52	S	97.8	Very high	98.5	Very high	48 Å²	48	35.8 Å²	35.8	34%	0.336	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.8	-178.7	-46.6	0	0	0	0	113.1	Q50 E54	Q50-S52 PolarHBondContact NE2-OG 3.46Å; Q50-S52 VanDerWaalsContact NE2-OG 3.12Å; Q50-S52 PolarHBondContact O-N 3.38Å; Q50-S52 VanDerWaalsContact OE1-CA 3.23Å; Q50-S52 VanDerWaalsContact OE1-CB 3.23Å; S52-E54 VanDerWaalsContact CB-CD 3.47Å; S52-E54 WeakPolarHBondContact CB-OE1 3.29Å; S52-E54 PolarHBondContact O-N 2.59Å
53	K	97	Very high	98.5	Very high	150 Å²	150	37.4 Å²	37.4	65%	0.652	24%	0.24	S	C	*	.			trans	51.9	54.2	179.1	-59.7	-176.9	178.4	-177.3	0	113.2	Q50 P51	Q50-K53 PolarHBondContact O-N 2.94Å; P51-K53 VanDerWaalsContact C-N 3.34Å
54	E	98.4	Very high	98.5	Very high	22 Å²	22	41.4 Å²	41.4	10%	0.103	26%	0.258	C	S	.	.			trans	-98.5	11.5	-172.2	-69.3	171.9	169.3	0	0	114	S52 P56 S249 Q250 R251 M259	S52-E54 VanDerWaalsContact CB-CD 3.47Å; S52-E54 WeakPolarHBondContact CB-OE1 3.29Å; S52-E54 PolarHBondContact O-N 2.59Å; E54-P56 VanDerWaalsContact O-CD 3.28Å; E54-P56 WeakPolarHBondContact O-CD 3.45Å; E54-S249 VanDerWaalsContact CD-OG 3.27Å; E54-S249 WeakPolarHBondContact OE1-CA 3.25Å; E54-S249 PolarHBondContact OE1-OG 2.93Å; E54-S249 WeakPolarHBondContact OE2-CB 3.44Å; E54-S249 PolarHBondContact OE2-OG 3.43Å; E54-Q250 WeakPolarHBondContact OE1-CB 3.24Å; E54-Q250 PolarHBondContact OE1-N 3.4Å; E54-R251 WeakPolarHBondContact OE2-CD 3.3Å; E54-R251 WeakPolarHBondContact OE2-CG 3.23Å; E54-M259 HydrophobicContact CB-CG 3.94Å
55	T	98.9	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.258	C	S	.	.			trans	-118.5	57.3	-178.9	58.6	0	0	0	0	112.9	L45 G46 N57 L58 D59 V258 D262	L45-T55 HydrophobicContact CG-CG2 4.48Å; G46-T55 PolarHBondContact N-OG1 3.04Å; T55-N57 VanDerWaalsContact C-N 3.28Å; T55-N57 PolarHBondContact O-N 3.4Å; T55-L58 HydrophobicContact CG2-CD1 4.33Å; T55-L58 PolarHBondContact O-N 2.99Å; T55-D59 WeakPolarHBondContact O-CB 3.25Å; T55-D59 PolarHBondContact O-N 3.43Å; T55-D59 VanDerWaalsContact O-OD1 3.13Å; T55-D59 PolarHBondContact OG1-OD1 3.24Å; T55-D59 VanDerWaalsContact OG1-OD1 3.05Å; T55-V258 HydrophobicContact CG2-CG1 3.48Å; T55-V258 VanDerWaalsContact CG2-CG1 3.48Å; T55-D262 VanDerWaalsContact C-CG 3.49Å; T55-D262 VanDerWaalsContact CA-CG 3.43Å; T55-D262 WeakPolarHBondContact CA-OD1 3.19Å; T55-D262 WeakPolarHBondContact CB-OD1 3.37Å; T55-D262 HydrophobicContact CG2-CB 4.36Å
56	P	98.9	Very high	98.4	Very high	80 Å²	80	42 Å²	42	52%	0.519	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-30	-173	26.4	-36.6	0	0	0	114.1	E54 A60 D262	E54-P56 VanDerWaalsContact O-CD 3.28Å; E54-P56 WeakPolarHBondContact O-CD 3.45Å; P56-A60 WeakPolarHBondContact O-CB 3.25Å; P56-A60 PolarHBondContact O-N 3.03Å; P56-D262 WeakPolarHBondContact CD-OD2 3.38Å
57	N	98.9	Very high	98.4	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.283	26%	0.26	S	S	.	.	H	α-helix	trans	-77.9	-39.9	-178.9	-63.5	-79.6	0	0	0	111.8	T55 A60 M61 D262 G266	T55-N57 VanDerWaalsContact C-N 3.28Å; T55-N57 PolarHBondContact O-N 3.4Å; N57-A60 PolarHBondContact O-N 3.4Å; N57-M61 WeakPolarHBondContact O-CB 3.37Å; N57-M61 PolarHBondContact O-N 3.02Å; N57-D262 WeakPolarHBondContact CB-O 3.44Å; N57-D262 WeakPolarHBondContact CB-OD2 3.36Å; N57-D262 PolarHBondContact N-OD1 3.09Å; N57-D262 PolarHBondContact N-OD2 3.21Å; N57-D262 VanDerWaalsContact N-OD2 3.08Å; N57-D262 PolarHBondContact ND2-O 2.73Å; N57-D262 PolarHBondContact ND2-OD2 3.45Å; N57-G266 WeakPolarHBondContact OD1-CA 3.46Å
58	L	98.9	Very high	98.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-67.4	-38.6	173	-72.6	165.6	0	0	0	111.4	L45 T55 A60 M61 A62 D262 V265 F285 I323	L45-L58 HydrophobicContact CD1-CD1 4.24Å; L45-L58 HydrophobicContact CD2-CB 3.99Å; L45-L58 HydrophobicContact CD2-CD1 4.21Å; L45-L58 HydrophobicContact CG-CB 4.29Å; L45-L58 HydrophobicContact CG-CD1 4.08Å; T55-L58 HydrophobicContact CG2-CD1 4.33Å; T55-L58 PolarHBondContact O-N 2.99Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 3.42Å; L58-M61 HydrophobicContact CD2-SD 4.3Å; L58-M61 WeakPolarHBondContact O-CB 3.44Å; L58-M61 PolarHBondContact O-N 3Å; L58-A62 PolarHBondContact O-N 3.09Å; L58-D262 WeakPolarHBondContact CB-OD1 3.45Å; L58-D262 HydrophobicContact CD1-CB 4.36Å; L58-D262 WeakPolarHBondContact CG-OD1 3.35Å; L58-D262 PolarHBondContact N-OD1 2.82Å; L58-V265 HydrophobicContact CD2-CB 4.43Å; L58-V265 HydrophobicContact CD2-CG1 3.97Å; L58-V265 HydrophobicContact CD2-CG2 4.21Å; L58-F285 HydrophobicContact CD1-CE1 4.21Å; L58-F285 HydrophobicContact CD1-CE2 3.89Å; L58-F285 HydrophobicContact CD1-CZ 3.63Å; L58-F285 HydrophobicContact CD2-CB 4.38Å; L58-F285 HydrophobicContact CD2-CD1 3.84Å; L58-F285 HydrophobicContact CD2-CD2 3.47Å; L58-F285 VanDerWaalsContact CD2-CD2 3.47Å; L58-F285 HydrophobicContact CD2-CE1 3.92Å; L58-F285 HydrophobicContact CD2-CE2 3.53Å; L58-F285 HydrophobicContact CD2-CG 3.62Å; L58-F285 HydrophobicContact CD2-CZ 3.76Å; L58-F285 HydrophobicContact CG-CE2 4.36Å; L58-F285 HydrophobicContact CG-CZ 4.37Å; L58-I323 HydrophobicContact CB-CD1 4.44Å; L58-I323 HydrophobicContact CD2-CD1 4.33Å
59	D	98.9	Very high	98.3	Very high	39 Å²	39	39.7 Å²	39.7	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-41.5	173.1	-70.2	7.2	0	0	0	110.6	G46 V47 T55 A62 A63	G46-D59 PolarHBondContact N-OD1 3.27Å; V47-D59 HydrophobicContact CB-CB 4.37Å; V47-D59 WeakPolarHBondContact CB-OD1 3.4Å; V47-D59 VanDerWaalsContact N-CG 3.35Å; V47-D59 PolarHBondContact N-OD1 2.91Å; V47-D59 PolarHBondContact N-OD2 2.79Å; T55-D59 WeakPolarHBondContact O-CB 3.25Å; T55-D59 PolarHBondContact O-N 3.43Å; T55-D59 VanDerWaalsContact O-OD1 3.13Å; T55-D59 PolarHBondContact OG1-OD1 3.24Å; T55-D59 VanDerWaalsContact OG1-OD1 3.05Å; D59-A62 PolarHBondContact O-N 3.46Å; D59-A63 WeakPolarHBondContact O-CB 3.37Å; D59-A63 PolarHBondContact O-N 2.66Å
60	A	98.8	Very high	98.3	Very high	38 Å²	38	37.2 Å²	37.2	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-67.5	-39.1	173.8	0	0	0	0	0	112.7	P56 N57 L58 A62 A63 Q64	P56-A60 WeakPolarHBondContact O-CB 3.25Å; P56-A60 PolarHBondContact O-N 3.03Å; N57-A60 PolarHBondContact O-N 3.4Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 3.42Å; A60-A62 VanDerWaalsContact C-N 3.33Å; A60-A62 PolarHBondContact O-N 2.79Å; A60-A63 PolarHBondContact O-N 2.76Å; A60-Q64 WeakPolarHBondContact O-CB 3.33Å; A60-Q64 VanDerWaalsContact O-CG 3.29Å; A60-Q64 WeakPolarHBondContact O-CG 3.49Å; A60-Q64 PolarHBondContact O-N 3.32Å
61	M	98.8	Very high	98.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-44.4	174.3	-174.6	-172.4	173.2	0	0	110.6	N57 L58 Q64 G65 V265 L269 V283 F285 I323 W325	N57-M61 WeakPolarHBondContact O-CB 3.37Å; N57-M61 PolarHBondContact O-N 3.02Å; L58-M61 HydrophobicContact CD2-SD 4.3Å; L58-M61 WeakPolarHBondContact O-CB 3.44Å; L58-M61 PolarHBondContact O-N 3Å; M61-Q64 CarbonylContact O-C 3.52Å; M61-Q64 PolarHBondContact O-N 3.2Å; M61-G65 PolarHBondContact O-N 2.89Å; M61-V265 HydrophobicContact SD-CG1 4.28Å; M61-L269 HydrophobicContact CB-CD1 3.91Å; M61-L269 HydrophobicContact CG-CD1 3.86Å; M61-L269 HydrophobicContact SD-CD1 4.18Å; M61-V283 HydrophobicContact CE-CB 4.18Å; M61-V283 HydrophobicContact CE-CG1 3.77Å; M61-F285 HydrophobicContact CE-CB 3.94Å; M61-F285 HydrophobicContact SD-CB 4.06Å; M61-I323 HydrophobicContact CB-CG2 4.41Å; M61-I323 HydrophobicContact CE-CB 4.29Å; M61-I323 HydrophobicContact CE-CG2 4.06Å; M61-I323 HydrophobicContact CG-CG2 3.79Å; M61-I323 HydrophobicContact SD-CB 4.36Å; M61-I323 HydrophobicContact SD-CG2 4.09Å; M61-W325 HydrophobicContact CE-CB 3.6Å; M61-W325 HydrophobicContact CG-CB 3.81Å; M61-W325 HydrophobicContact CG-CG 4.07Å
62	A	98.7	Very high	98.3	Very high	6 Å²	6	31 Å²	31	5%	0.05	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-43	175	0	0	0	0	0	112	V47 L58 D59 A60 Q64 G65 I323	V47-A62 HydrophobicContact CG1-CB 4.09Å; V47-A62 HydrophobicContact CG2-CB 4.13Å; L58-A62 PolarHBondContact O-N 3.09Å; D59-A62 PolarHBondContact O-N 3.46Å; A60-A62 VanDerWaalsContact C-N 3.33Å; A60-A62 PolarHBondContact O-N 2.79Å; A62-Q64 PolarHBondContact O-N 3.5Å; A62-G65 CarbonylContact O-C 3.51Å; A62-G65 PolarHBondContact O-N 3.41Å; A62-I323 HydrophobicContact CB-CD1 3.96Å; A62-I323 HydrophobicContact CB-CG1 4.22Å; A62-I323 HydrophobicContact CB-CG2 4.24Å
63	A	98.6	Very high	98.4	Very high	65 Å²	65	28.7 Å²	28.7	54%	0.537	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-25.7	176.7	0	0	0	0	0	113.5	D59 A60 G332 G333	D59-A63 WeakPolarHBondContact O-CB 3.37Å; D59-A63 PolarHBondContact O-N 2.66Å; A60-A63 PolarHBondContact O-N 2.76Å; A63-G332 CarbonylContact O-C 3.25Å; A63-G333 WeakPolarHBondContact O-CA 3.22Å; A63-G333 PolarHBondContact O-N 2.86Å
64	Q	98.2	Very high	98.4	Very high	88 Å²	88	21.5 Å²	21.5	41%	0.411	13%	0.132	S	C	.	.	H	α-helix	trans	-97.2	-9.9	177.7	-66.8	172.5	26.9	0	0	113.5	A60 M61 A62 G332	A60-Q64 WeakPolarHBondContact O-CB 3.33Å; A60-Q64 VanDerWaalsContact O-CG 3.29Å; A60-Q64 WeakPolarHBondContact O-CG 3.49Å; A60-Q64 PolarHBondContact O-N 3.32Å; M61-Q64 CarbonylContact O-C 3.52Å; M61-Q64 PolarHBondContact O-N 3.2Å; A62-Q64 PolarHBondContact O-N 3.5Å; Q64-G332 VanDerWaalsContact C-CA 3.43Å; Q64-G332 VanDerWaalsContact O-CA 3.25Å; Q64-G332 WeakPolarHBondContact O-CA 3.29Å
65	G	98	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-125.3	-146.3	-176.9	0	0	0	0	0	112.4	M61 A62 A324 G332 G333 A334	M61-G65 PolarHBondContact O-N 2.89Å; A62-G65 CarbonylContact O-C 3.51Å; A62-G65 PolarHBondContact O-N 3.41Å; G65-A324 CarbonylContact C-O 3.47Å; G65-A324 VanDerWaalsContact CA-O 3.26Å; G65-A324 WeakPolarHBondContact CA-O 3.27Å; G65-G332 CarbonylContact O-C 3.5Å; G65-G332 WeakPolarHBondContact O-CA 3.46Å; G65-G333 PolarHBondContact O-N 2.83Å; G65-A334 PolarHBondContact O-N 3.34Å
66	I	97.7	Very high	98.4	Very high	11 Å²	11	20.6 Å²	20.6	6%	0.056	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130	175.6	-172.2	167.4	0	0	0	110.3	L68 I323 A324 I330 A334 L372	I66-L68 HydrophobicContact CG2-CD1 4.44Å; I66-I323 WeakPolarHBondContact O-CA 3.36Å; I66-A324 HydrophobicContact CG2-CB 3.72Å; I66-A324 PolarHBondContact N-O 2.96Å; I66-A324 PolarHBondContact O-N 3.19Å; I66-I330 HydrophobicContact CB-CG2 3.86Å; I66-I330 HydrophobicContact CG2-CD1 4.37Å; I66-I330 HydrophobicContact CG2-CG2 3.73Å; I66-A334 WeakPolarHBondContact CA-O 3.29Å; I66-A334 HydrophobicContact CB-CB 4.06Å; I66-A334 HydrophobicContact CD1-CB 3.97Å; I66-A334 HydrophobicContact CG1-CB 3.76Å; I66-L372 HydrophobicContact CG2-CD2 3.64Å
67	L	98.4	Very high	98.3	Very high	14 Å²	14	17 Å²	17	7%	0.073	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.9	175.1	-178.3	69.7	0	0	0	109.9	V47 L48 T69 I323 A334 V335 S336	V47-L67 HydrophobicContact CG2-CD2 4.3Å; L48-L67 HydrophobicContact CD2-CD1 4.04Å; L48-L67 HydrophobicContact CD2-CD2 3.85Å; L48-L67 HydrophobicContact CD2-CG 4.35Å; L67-T69 HydrophobicContact CD2-CG2 4.18Å; L67-T69 HydrophobicContact CG-CG2 4.28Å; L67-I323 HydrophobicContact CD1-CG1 3.82Å; L67-A334 PolarHBondContact N-O 3.21Å; L67-V335 HydrophobicContact CB-CG2 4.47Å; L67-V335 CarbonylContact O-C 3.54Å; L67-V335 WeakPolarHBondContact O-CA 3.42Å; L67-S336 PolarHBondContact O-N 2.77Å
68	L	97.8	Very high	98.2	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104.6	176.4	-61.7	95.9	0	0	0	109.4	I66 F71 F284 A322 A324 A340 L372	I66-L68 HydrophobicContact CG2-CD1 4.44Å; L68-F71 HydrophobicContact CB-CB 4.19Å; L68-F71 HydrophobicContact CD2-CD2 4.43Å; L68-F284 HydrophobicContact CD1-CE2 4.06Å; L68-F284 HydrophobicContact CD1-CZ 4.2Å; L68-A322 HydrophobicContact CB-CB 3.93Å; L68-A322 HydrophobicContact CD1-CB 4.34Å; L68-A322 PolarHBondContact N-O 2.87Å; L68-A324 HydrophobicContact CD1-CB 4.44Å; L68-A340 HydrophobicContact CD2-CB 3.81Å; L68-L372 HydrophobicContact CD1-CD2 4.44Å
69	T	96.9	Very high	98.2	Very high	24 Å²	24	14.5 Å²	14.5	15%	0.147	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.1	-175	57.7	0	0	0	0	113.2	W42 L67 R319 V335 S336 L337	W42-T69 HydrophobicContact CZ2-CG2 4.47Å; W42-T69 PolarHBondContact NE1-O 3.42Å; L67-T69 HydrophobicContact CD2-CG2 4.18Å; L67-T69 HydrophobicContact CG-CG2 4.28Å; T69-R319 VanDerWaalsContact O-CZ 3.27Å; T69-R319 PolarHBondContact O-NE 3.39Å; T69-R319 PolarHBondContact O-NH2 2.99Å; T69-V335 HydrophobicContact CG2-CG1 3.89Å; T69-S336 PolarHBondContact N-O 2.82Å; T69-L337 WeakPolarHBondContact OG1-CD2 3.36Å
70	N	97.5	Very high	98.2	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.043	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	48.8	177.9	-69	-49.8	0	0	0	111.1	R319 L337 P339 A340 R396	N70-R319 PolarHBondContact OD1-NH2 2.71Å; N70-L337 PolarHBondContact ND2-O 3.49Å; N70-P339 WeakPolarHBondContact O-CA 3.43Å; N70-A340 PolarHBondContact O-N 3.24Å; N70-R396 PolarHBondContact OD1-NH1 2.83Å; N70-R396 PolarHBondContact OD1-NH2 3.45Å
71	F	98.8	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	138.1	177.3	-169.3	-87.9	0	0	0	111.1	L68 F284 T286 R319 E320 A322 A340 V342 L345	L68-F71 HydrophobicContact CB-CB 4.19Å; L68-F71 HydrophobicContact CD2-CD2 4.43Å; F71-F284 HydrophobicContact CD2-CE1 4.47Å; F71-F284 AromaticContact CD2-CZ 3.94Å; F71-F284 HydrophobicContact CD2-CZ 3.94Å; F71-F284 HydrophobicContact CE1-CE1 4.36Å; F71-F284 AromaticContact CE2-CE1 3.77Å; F71-F284 HydrophobicContact CE2-CE1 3.77Å; F71-F284 AromaticContact CE2-CZ 3.42Å; F71-F284 HydrophobicContact CE2-CZ 3.42Å; F71-F284 VanDerWaalsContact CE2-CZ 3.42Å; F71-F284 AromaticContact CZ-CE1 3.67Å; F71-F284 HydrophobicContact CZ-CE1 3.67Å; F71-F284 AromaticContact CZ-CZ 3.85Å; F71-F284 HydrophobicContact CZ-CZ 3.85Å; F71-T286 WeakPolarHBondContact CD1-OG1 3.27Å; F71-T286 HydrophobicContact CE1-CG2 4.03Å; F71-T286 WeakPolarHBondContact CE1-OG1 3.41Å; F71-T286 HydrophobicContact CZ-CG2 4.34Å; F71-R319 WeakPolarHBondContact O-CA 3.28Å; F71-R319 WeakPolarHBondContact O-CG 3.16Å; F71-E320 HydrophobicContact CD1-CB 4.21Å; F71-E320 PolarHBondContact O-N 3.18Å; F71-A322 HydrophobicContact CB-CB 3.32Å; F71-A322 HydrophobicContact CD1-CB 3.72Å; F71-A322 HydrophobicContact CD2-CB 3.7Å; F71-A322 HydrophobicContact CE1-CB 4.4Å; F71-A322 HydrophobicContact CE2-CB 4.41Å; F71-A322 HydrophobicContact CG-CB 3.3Å; F71-A340 WeakPolarHBondContact CA-O 3.13Å; F71-A340 HydrophobicContact CD2-CB 3.5Å; F71-A340 VanDerWaalsContact CD2-CB 3.5Å; F71-A340 HydrophobicContact CE2-CB 4.07Å; F71-A340 HydrophobicContact CG-CB 4.42Å; F71-V342 HydrophobicContact CE1-CB 4.23Å; F71-V342 HydrophobicContact CZ-CB 4.28Å; F71-L345 HydrophobicContact CZ-CD1 4.43Å; F71-L345 HydrophobicContact CZ-CG 4.45Å
72	Y	98.9	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145	-175.4	-66.4	-89.3	0	0	0	112.2	E315 M318 R319 A340 N341 V342 I384 F386 R396	Y72-E315 WeakPolarHBondContact CE1-OE1 3.27Å; Y72-E315 PolarHBondContact OH-OE1 3.45Å; Y72-E315 PolarHBondContact OH-OE2 3.2Å; Y72-M318 CarbonylContact C-O 3.38Å; Y72-M318 WeakPolarHBondContact CA-O 3.38Å; Y72-M318 WeakPolarHBondContact CD1-O 3.43Å; Y72-R319 HydrophobicContact CD1-CB 3.98Å; Y72-R319 HydrophobicContact CD1-CG 4.31Å; Y72-R319 HydrophobicContact CE1-CB 3.71Å; Y72-R319 HydrophobicContact CE1-CG 3.9Å; Y72-A340 PolarHBondContact N-O 2.94Å; Y72-N341 CarbonylContact O-C 3.58Å; Y72-N341 WeakPolarHBondContact O-CA 3.33Å; Y72-N341 PolarHBondContact O-ND2 3.13Å; Y72-V342 PolarHBondContact O-N 3.09Å; Y72-I384 HydrophobicContact CD1-CG2 4.46Å; Y72-I384 HydrophobicContact CD2-CD1 4.34Å; Y72-I384 HydrophobicContact CD2-CG1 4Å; Y72-I384 HydrophobicContact CD2-CG2 4.26Å; Y72-I384 HydrophobicContact CE2-CG1 4.4Å; Y72-I384 HydrophobicContact CG-CG2 3.97Å; Y72-F386 AromaticContact CD1-CE1 3.7Å; Y72-F386 HydrophobicContact CD1-CE1 3.7Å; Y72-F386 AromaticContact CD1-CZ 3.66Å; Y72-F386 HydrophobicContact CD1-CZ 3.66Å; Y72-F386 AromaticContact CE1-CE1 3.84Å; Y72-F386 HydrophobicContact CE1-CE1 3.84Å; Y72-F386 AromaticContact CE1-CZ 3.57Å; Y72-F386 HydrophobicContact CE1-CZ 3.57Å; Y72-F386 HydrophobicContact CG-CZ 4.43Å; Y72-R396 WeakPolarHBondContact OH-CD 3.44Å; Y72-R396 PolarHBondContact OH-NH1 2.85Å
73	T	98.8	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.064	C	C	.	.			trans	-77.3	-179.5	161.6	-168.9	0	0	0	0	111.1	N75 S81 D288 M318 E320 N341	T73-N75 WeakPolarHBondContact CG2-O 3.35Å; T73-S81 WeakPolarHBondContact OG1-CB 3.18Å; T73-S81 PolarHBondContact OG1-OG 3.26Å; T73-D288 VanDerWaalsContact CB-O 3.27Å; T73-D288 WeakPolarHBondContact CB-O 3.49Å; T73-D288 WeakPolarHBondContact CG2-O 3.22Å; T73-D288 PolarHBondContact OG1-O 3.13Å; T73-M318 HydrophobicContact CG2-CB 3.94Å; T73-M318 HydrophobicContact CG2-CG 4.08Å; T73-M318 PolarHBondContact N-O 3.39Å; T73-E320 HydrophobicContact CG2-CG 4.24Å; T73-E320 WeakPolarHBondContact CG2-OE1 3.43Å; T73-N341 PolarHBondContact O-ND2 2.88Å
74	A	98.3	Very high	98.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	-100.9	-11.1	-177.8	0	0	0	0	0	113.7	A84 V342 M343	A74-A84 HydrophobicContact CB-CB 3.27Å; A74-V342 HydrophobicContact CB-CG1 3.93Å; A74-M343 HydrophobicContact CB-CG 4.17Å; A74-M343 HydrophobicContact CB-SD 4.24Å
75	N	98.8	Very high	98.2	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.011	2%	0.018	C	C	.	.	S	Bend	trans	-158.5	156.5	-179.3	-149.3	-108.8	0	0	0	111	T73 L77 P80 S81 P91 Y387	T73-N75 WeakPolarHBondContact CG2-O 3.35Å; N75-L77 PolarHBondContact O-N 2.88Å; N75-L77 VanDerWaalsContact O-N 3.14Å; N75-P80 HydrophobicContact CB-CB 3.58Å; N75-P80 HydrophobicContact CB-CG 4.42Å; N75-P80 VanDerWaalsContact CG-CB 3.47Å; N75-P80 WeakPolarHBondContact OD1-CB 3.4Å; N75-P80 WeakPolarHBondContact OD1-CG 3.43Å; N75-S81 WeakPolarHBondContact CB-OG 3.25Å; N75-S81 PolarHBondContact N-OG 3.47Å; N75-S81 PolarHBondContact O-OG 3.37Å; N75-P91 HydrophobicContact CB-CG 4.1Å; N75-Y387 PolarHBondContact ND2-O 3.29Å; N75-Y387 VanDerWaalsContact ND2-O 3.12Å
76	P	98.3	Very high	98.3	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-79.8	14.3	179.8	35.2	-40.2	0	0	0	114.7	N105 K310 E311 T312 M318 Y387	P76-N105 WeakPolarHBondContact CG-OD1 3.28Å; P76-K310 WeakPolarHBondContact O-CG 3.45Å; P76-E311 PolarHBondContact O-N 2.97Å; P76-T312 VanDerWaalsContact CB-O 3.27Å; P76-T312 WeakPolarHBondContact CB-O 3.29Å; P76-M318 HydrophobicContact CB-CG 4.08Å; P76-M318 HydrophobicContact CB-SD 4.45Å; P76-Y387 WeakPolarHBondContact CD-O 3.25Å
77	L	95.9	Very high	98.3	Very high	6 Å²	6	2.8 Å²	2.8	3%	0.031	2%	0.016	C	C	.	.	S	Bend	trans	-145.3	153.5	-179.8	-154.4	166	0	0	0	111.9	N75 P80 S81 N105 Y107 N289 E311	N75-L77 PolarHBondContact O-N 2.88Å; N75-L77 VanDerWaalsContact O-N 3.14Å; L77-P80 WeakPolarHBondContact O-CD 3.49Å; L77-S81 WeakPolarHBondContact O-CB 3.31Å; L77-S81 PolarHBondContact O-N 3.3Å; L77-S81 PolarHBondContact O-OG 3.16Å; L77-S81 VanDerWaalsContact O-OG 3.09Å; L77-N105 HydrophobicContact CD1-CB 3.98Å; L77-Y107 HydrophobicContact CD1-CD1 3.88Å; L77-Y107 HydrophobicContact CD1-CG 4.45Å; L77-Y107 VanDerWaalsContact CD2-CB 3.44Å; L77-Y107 HydrophobicContact CD2-CD1 4.14Å; L77-Y107 HydrophobicContact CD2-CG 3.92Å; L77-N289 VanDerWaalsContact C-OD1 3.25Å; L77-N289 WeakPolarHBondContact CA-OD1 3.14Å; L77-E311 WeakPolarHBondContact CD1-OE1 3.34Å; L77-E311 WeakPolarHBondContact CD1-OE2 3.31Å
78	C	96.8	Very high	98.4	Very high	1 Å²	1	2.1 Å²	2.1	1%	0.007	1%	0.013	C	C	.	.	H	α-helix	trans	-48	-63.8	-174.1	-44.8	0	0	0	0	116.5	D38 S81 R82 K139 H141 D288 N289	D38-C78 PolarHBondContact OD1-SG 2.7Å; C78-S81 PolarHBondContact O-N 2.9Å; C78-R82 WeakPolarHBondContact O-CB 3.26Å; C78-R82 VanDerWaalsContact O-CG 3.28Å; C78-R82 WeakPolarHBondContact O-CG 3.47Å; C78-R82 PolarHBondContact O-N 3.07Å; C78-K139 PolarHBondContact SG-NZ 2.89Å; C78-H141 VanDerWaalsContact CB-ND1 3.33Å; C78-H141 WeakPolarHBondContact CB-ND1 3.32Å; C78-D288 WeakPolarHBondContact CA-OD2 2.98Å; C78-D288 VanDerWaalsContact CB-OD2 3.27Å; C78-D288 WeakPolarHBondContact CB-OD2 3.38Å; C78-N289 PolarHBondContact N-OD1 3.04Å; C78-N289 PolarHBondContact SG-OD1 3.26Å
79	S	98.8	Very high	98.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.3	-49.2	-169.6	-58.7	0	0	0	0	113	S81 R82 A83 T108 H141	S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 2.91Å; S79-R82 PolarHBondContact O-N 3.2Å; S79-A83 WeakPolarHBondContact O-CB 3.49Å; S79-A83 PolarHBondContact O-N 3.16Å; S79-T108 PolarHBondContact OG-N 3Å; S79-T108 VanDerWaalsContact OG-N 3.09Å; S79-T108 PolarHBondContact OG-OG1 3.17Å; S79-H141 WeakPolarHBondContact CB-O 3.34Å; S79-H141 PolarHBondContact OG-CD2 3.42Å; S79-H141 VanDerWaalsContact OG-CD2 3.23Å; S79-H141 PolarHBondContact OG-CE1 2.97Å; S79-H141 VanDerWaalsContact OG-CE1 3.28Å; S79-H141 PolarHBondContact OG-ND1 3.34Å; S79-H141 VanDerWaalsContact OG-ND1 3.12Å; S79-H141 PolarHBondContact OG-NE2 3.19Å; S79-H141 PolarHBondContact OG-O 3.11Å
80	P	98.9	Very high	98.5	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.006	1%	0.01	C	C	.	.	H	α-helix	trans	-60.5	-39.5	178	-25.6	38.3	0	0	0	113.2	N75 L77 A83 A84 P91 F96 A106	N75-P80 HydrophobicContact CB-CB 3.58Å; N75-P80 HydrophobicContact CB-CG 4.42Å; N75-P80 VanDerWaalsContact CG-CB 3.47Å; N75-P80 WeakPolarHBondContact OD1-CB 3.4Å; N75-P80 WeakPolarHBondContact OD1-CG 3.43Å; L77-P80 WeakPolarHBondContact O-CD 3.49Å; P80-A83 PolarHBondContact O-N 3.05Å; P80-A84 WeakPolarHBondContact O-CB 3.41Å; P80-A84 PolarHBondContact O-N 2.93Å; P80-P91 HydrophobicContact CB-CB 3.81Å; P80-P91 HydrophobicContact CB-CG 3.66Å; P80-F96 HydrophobicContact CB-CB 4.12Å; P80-F96 WeakPolarHBondContact CB-O 3.43Å; P80-F96 HydrophobicContact CG-CB 4.35Å; P80-F96 WeakPolarHBondContact CG-O 3.15Å; P80-A106 VanDerWaalsContact CG-O 3.29Å; P80-A106 WeakPolarHBondContact CG-O 3.47Å
81	S	98.9	Very high	98.6	Very high	1 Å²	1	2 Å²	2	1%	0.007	1%	0.009	C	C	.	.	H	α-helix	trans	-66.2	-42.4	177.6	-66.1	0	0	0	0	113.3	T73 N75 L77 C78 S79 A84 L85 D288	T73-S81 WeakPolarHBondContact OG1-CB 3.18Å; T73-S81 PolarHBondContact OG1-OG 3.26Å; N75-S81 WeakPolarHBondContact CB-OG 3.25Å; N75-S81 PolarHBondContact N-OG 3.47Å; N75-S81 PolarHBondContact O-OG 3.37Å; L77-S81 WeakPolarHBondContact O-CB 3.31Å; L77-S81 PolarHBondContact O-N 3.3Å; L77-S81 PolarHBondContact O-OG 3.16Å; L77-S81 VanDerWaalsContact O-OG 3.09Å; C78-S81 PolarHBondContact O-N 2.9Å; S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 2.91Å; S81-A84 PolarHBondContact O-N 2.83Å; S81-L85 PolarHBondContact O-N 3.28Å; S81-D288 WeakPolarHBondContact CB-O 3.42Å; S81-D288 PolarHBondContact OG-O 2.92Å
82	R	98.9	Very high	98.5	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-64	-40.7	174.8	-70	166.4	-173.3	-93.2	-12.5	111.6	L36 D38 C78 S79 A84 L85 L86 K139 L142 D288	L36-R82 HydrophobicContact CD2-CG 3.79Å; D38-R82 IonicContact OD1-NH2 3.5Å; C78-R82 WeakPolarHBondContact O-CB 3.26Å; C78-R82 VanDerWaalsContact O-CG 3.28Å; C78-R82 WeakPolarHBondContact O-CG 3.47Å; C78-R82 PolarHBondContact O-N 3.07Å; S79-R82 PolarHBondContact O-N 3.2Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-L85 PolarHBondContact O-N 3.07Å; R82-L86 WeakPolarHBondContact O-CG 3.4Å; R82-L86 PolarHBondContact O-N 3.02Å; R82-L86 VanDerWaalsContact O-N 3.13Å; R82-K139 PolarHBondContact NH1-O 2.68Å; R82-L142 HydrophobicContact CB-CD1 3.59Å; R82-D288 HydrophobicContact CG-CB 4.37Å; R82-D288 IonicContact CZ-OD2 3.51Å; R82-D288 VanDerWaalsContact CZ-OD2 3.23Å; R82-D288 IonicContact NE-OD2 2.69Å; R82-D288 PolarHBondContact NE-OD2 3.4Å; R82-D288 IonicContact NH2-OD2 3.51Å; R82-D288 PolarHBondContact NH2-OD2 2.95Å
83	A	98.9	Very high	98.5	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-63.3	-41.4	174.5	0	0	0	0	0	111.3	S79 P80 L86 T87 F96 L142	S79-A83 WeakPolarHBondContact O-CB 3.49Å; S79-A83 PolarHBondContact O-N 3.16Å; P80-A83 PolarHBondContact O-N 3.05Å; A83-L86 PolarHBondContact O-N 3.17Å; A83-T87 WeakPolarHBondContact O-CB 3.45Å; A83-T87 WeakPolarHBondContact O-CG2 3.45Å; A83-T87 PolarHBondContact O-N 3.08Å; A83-T87 PolarHBondContact O-OG1 3.31Å; A83-F96 HydrophobicContact CB-CB 4.06Å; A83-F96 HydrophobicContact CB-CD1 3.8Å; A83-F96 HydrophobicContact CB-CD2 3.35Å; A83-F96 HydrophobicContact CB-CE1 4.07Å; A83-F96 HydrophobicContact CB-CE2 3.62Å; A83-F96 HydrophobicContact CB-CG 3.44Å; A83-F96 VanDerWaalsContact CB-CG 3.44Å; A83-F96 HydrophobicContact CB-CZ 3.99Å; A83-L142 HydrophobicContact CB-CD1 4.32Å; A83-L142 HydrophobicContact CB-CD2 4.43Å; A83-L142 HydrophobicContact CB-CG 4.22Å
84	A	98.9	Very high	98.5	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-65.1	-41.1	177.9	0	0	0	0	0	112.9	A74 P80 S81 R82 L86 G88 R89 P91 M343	A74-A84 HydrophobicContact CB-CB 3.27Å; P80-A84 WeakPolarHBondContact O-CB 3.41Å; P80-A84 PolarHBondContact O-N 2.93Å; S81-A84 PolarHBondContact O-N 2.83Å; R82-A84 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 3.32Å; A84-G88 WeakPolarHBondContact O-CA 3.35Å; A84-G88 PolarHBondContact O-N 3.46Å; A84-R89 VanDerWaalsContact CA-O 3.22Å; A84-R89 WeakPolarHBondContact CA-O 3.35Å; A84-R89 WeakPolarHBondContact CB-O 3.48Å; A84-P91 HydrophobicContact CB-CG 4.44Å; A84-M343 HydrophobicContact CB-CG 3.76Å; A84-M343 HydrophobicContact CB-SD 4.25Å
85	L	98.9	Very high	98.5	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-56.2	-50.9	172.8	-172	161.5	0	0	0	110.9	I34 L36 S81 R82 T87 Y229 V342 L345	I34-L85 HydrophobicContact CD1-CD2 4.27Å; I34-L85 HydrophobicContact CG2-CD1 4.13Å; L36-L85 HydrophobicContact CD1-CD1 3.97Å; L36-L85 HydrophobicContact CD2-CD1 3.98Å; L36-L85 HydrophobicContact CG-CD1 4.45Å; S81-L85 PolarHBondContact O-N 3.28Å; R82-L85 PolarHBondContact O-N 3.07Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-T87 PolarHBondContact O-N 2.88Å; L85-Y229 HydrophobicContact CD1-CE2 4.12Å; L85-Y229 HydrophobicContact CD2-CE2 4.26Å; L85-V342 HydrophobicContact CB-CG2 3.79Å; L85-V342 HydrophobicContact CD1-CG2 3.6Å; L85-V342 HydrophobicContact CG-CG2 3.84Å; L85-L345 HydrophobicContact CD1-CD1 4.13Å; L85-L345 HydrophobicContact CG-CD1 4.39Å
86	L	98.9	Very high	98.5	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-78.2	-17.9	-171	-67.8	167.6	0	0	0	113.7	R82 A83 A84 L122 L123 W140 L142 F155 Y229 F346	R82-L86 WeakPolarHBondContact O-CG 3.4Å; R82-L86 PolarHBondContact O-N 3.02Å; R82-L86 VanDerWaalsContact O-N 3.13Å; A83-L86 PolarHBondContact O-N 3.17Å; A84-L86 PolarHBondContact O-N 3.32Å; L86-L122 HydrophobicContact CB-CD1 4.34Å; L86-L122 HydrophobicContact CB-CD2 4.13Å; L86-L122 CarbonylContact O-C 3.49Å; L86-L122 VanDerWaalsContact O-CA 3.26Å; L86-L122 WeakPolarHBondContact O-CA 3.37Å; L86-L123 PolarHBondContact O-N 3.33Å; L86-W140 HydrophobicContact CD1-CE3 4.3Å; L86-W140 HydrophobicContact CD1-CH2 3.89Å; L86-W140 HydrophobicContact CD1-CZ3 3.37Å; L86-L142 HydrophobicContact CD1-CD1 4.48Å; L86-L142 HydrophobicContact CD1-CD2 3.74Å; L86-F155 HydrophobicContact CD2-CZ 4.25Å; L86-Y229 HydrophobicContact CD1-CE1 4.36Å; L86-F346 WeakPolarHBondContact O-CD2 3.13Å; L86-F346 WeakPolarHBondContact O-CE2 3.5Å
87	T	98.9	Very high	98.6	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.006	2%	0.015	C	C	.	.	H	α-helix	trans	-107	-15.5	179	56.1	0	0	0	0	113.8	A83 L85 R89 N94 I116 E120 L122	A83-T87 WeakPolarHBondContact O-CB 3.45Å; A83-T87 WeakPolarHBondContact O-CG2 3.45Å; A83-T87 PolarHBondContact O-N 3.08Å; A83-T87 PolarHBondContact O-OG1 3.31Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-T87 PolarHBondContact O-N 2.88Å; T87-R89 PolarHBondContact O-N 3.42Å; T87-R89 PolarHBondContact OG1-N 3.23Å; T87-R89 PolarHBondContact OG1-O 2.96Å; T87-N94 HydrophobicContact CG2-CB 4.3Å; T87-N94 PolarHBondContact OG1-ND2 3.49Å; T87-I116 HydrophobicContact CG2-CD1 4.12Å; T87-E120 HydrophobicContact CG2-CB 4.01Å; T87-E120 HydrophobicContact CG2-CG 4.24Å; T87-L122 HydrophobicContact CG2-CD2 3.41Å; T87-L122 VanDerWaalsContact CG2-CD2 3.41Å
88	G	98.7	Very high	98.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	20.4	-169.8	0	0	0	0	0	113.6	A84 F346 D364 G365	A84-G88 WeakPolarHBondContact O-CA 3.35Å; A84-G88 PolarHBondContact O-N 3.46Å; G88-F346 VanDerWaalsContact CA-CB 3.47Å; G88-D364 PolarHBondContact O-N 2.92Å; G88-G365 PolarHBondContact O-N 2.96Å
89	R	98.7	Very high	98.8	Very high	27 Å²	27	6.2 Å²	6.2	10%	0.102	3%	0.033	C	C	.	.	S	Bend	trans	-131.7	143.3	-170	-75.1	162.4	54.1	80.9	-4.8	111.4	A84 T87 R93 N94 E120 T362 L363 D364	A84-R89 VanDerWaalsContact CA-O 3.22Å; A84-R89 WeakPolarHBondContact CA-O 3.35Å; A84-R89 WeakPolarHBondContact CB-O 3.48Å; T87-R89 PolarHBondContact O-N 3.42Å; T87-R89 PolarHBondContact OG1-N 3.23Å; T87-R89 PolarHBondContact OG1-O 2.96Å; R89-R93 HydrophobicContact CB-CB 4.42Å; R89-R93 PolarHBondContact NH2-O 2.75Å; R89-N94 HydrophobicContact CB-CB 4.49Å; R89-N94 PolarHBondContact O-ND2 3.44Å; R89-E120 WeakPolarHBondContact CD-OE2 3.33Å; R89-E120 IonicContact CZ-OE1 2.8Å; R89-E120 IonicContact CZ-OE2 3.54Å; R89-E120 IonicContact NE-OE1 3.99Å; R89-E120 PolarHBondContact NE-OE1 2.93Å; R89-E120 VanDerWaalsContact NE-OE1 3.15Å; R89-E120 IonicContact NE-OE2 3.23Å; R89-E120 PolarHBondContact NE-OE2 2.88Å; R89-E120 IonicContact NH2-OE1 3.98Å; R89-E120 PolarHBondContact NH2-OE1 3.19Å; R89-T362 VanDerWaalsContact CG-O 3.32Å; R89-T362 WeakPolarHBondContact CG-O 3.43Å; R89-T362 PolarHBondContact NH1-O 2.8Å; R89-L363 HydrophobicContact CG-CD2 3.86Å; R89-D364 WeakPolarHBondContact CA-OD2 3.36Å
90	L	98.9	Very high	98.7	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.043	C	C	.	.			trans	-58.1	148.5	177.3	-75.6	165.8	0	0	0	111.2	V92 R93 N94 M343 D364 F385 Y387	L90-V92 HydrophobicContact CB-CG1 4Å; L90-V92 PolarHBondContact O-N 2.89Å; L90-V92 VanDerWaalsContact O-N 3.17Å; L90-R93 HydrophobicContact CB-CG 4.34Å; L90-R93 WeakPolarHBondContact O-CA 3.37Å; L90-R93 WeakPolarHBondContact O-CB 3.33Å; L90-R93 PolarHBondContact O-N 2.84Å; L90-N94 PolarHBondContact O-N 2.88Å; L90-M343 HydrophobicContact CB-SD 4.4Å; L90-M343 HydrophobicContact CD2-CE 3.66Å; L90-M343 HydrophobicContact CD2-SD 3.95Å; L90-M343 HydrophobicContact CG-CE 3.97Å; L90-M343 HydrophobicContact CG-SD 3.92Å; L90-M343 PolarHBondContact N-SD 3.35Å; L90-D364 HydrophobicContact CG-CB 4.15Å; L90-D364 PolarHBondContact N-OD2 2.86Å; L90-F385 HydrophobicContact CD1-CD2 4.42Å; L90-Y387 HydrophobicContact CD1-CE2 4.1Å; L90-Y387 HydrophobicContact CD2-CD2 4.32Å
91	P	98.8	Very high	98.6	Very high	1 Å²	1	10 Å²	10	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-54.2	-36.9	177.4	-29.1	35.5	0	0	0	114.8	N75 P80 A84 R93 N94 G95 F96	N75-P91 HydrophobicContact CB-CG 4.1Å; P80-P91 HydrophobicContact CB-CB 3.81Å; P80-P91 HydrophobicContact CB-CG 3.66Å; A84-P91 HydrophobicContact CB-CG 4.44Å; P91-R93 PolarHBondContact O-N 2.87Å; P91-N94 VanDerWaalsContact CA-OD1 3.31Å; P91-N94 WeakPolarHBondContact CA-OD1 3.35Å; P91-N94 PolarHBondContact O-N 3.5Å; P91-N94 PolarHBondContact O-OD1 3.17Å; P91-G95 PolarHBondContact O-N 3.38Å; P91-F96 HydrophobicContact CB-CB 4.31Å; P91-F96 WeakPolarHBondContact CB-O 3.32Å; P91-F96 PolarHBondContact O-N 2.86Å; P91-F96 VanDerWaalsContact O-N 3.12Å
92	V	98.5	Very high	98.5	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.024	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-23.2	175.8	65.7	0	0	0	0	112.7	L90 Y97 Y387 L481 P483 G484	L90-V92 HydrophobicContact CB-CG1 4Å; L90-V92 PolarHBondContact O-N 2.89Å; L90-V92 VanDerWaalsContact O-N 3.17Å; V92-Y97 HydrophobicContact CG2-CE1 4.47Å; V92-Y387 HydrophobicContact CB-CD1 4.24Å; V92-Y387 HydrophobicContact CB-CE1 4.12Å; V92-Y387 HydrophobicContact CG1-CD1 4.23Å; V92-Y387 HydrophobicContact CG1-CE1 3.87Å; V92-Y387 HydrophobicContact CG1-CE2 4.22Å; V92-Y387 HydrophobicContact CG2-CE1 4.3Å; V92-L481 HydrophobicContact CG1-CD1 3.87Å; V92-L481 HydrophobicContact CG1-CD2 4.41Å; V92-L481 HydrophobicContact CG2-CD2 4.42Å; V92-P483 HydrophobicContact CG2-CB 4.11Å; V92-P483 HydrophobicContact CG2-CG 4.49Å; V92-P483 CarbonylContact O-C 3.54Å; V92-P483 VanDerWaalsContact O-CA 3.31Å; V92-P483 WeakPolarHBondContact O-CA 3.1Å; V92-G484 PolarHBondContact O-N 3.38Å
93	R	98.6	Very high	98.4	Very high	9 Å²	9	12.8 Å²	12.8	3%	0.034	7%	0.071	C	C	.	.	H	α-helix	trans	-90.4	-41.9	175.4	-59	-171.1	-163.4	-82.5	-0.4	112.5	R89 L90 P91 G95 D364 H477 L481 G484	R89-R93 HydrophobicContact CB-CB 4.42Å; R89-R93 PolarHBondContact NH2-O 2.75Å; L90-R93 HydrophobicContact CB-CG 4.34Å; L90-R93 WeakPolarHBondContact O-CA 3.37Å; L90-R93 WeakPolarHBondContact O-CB 3.33Å; L90-R93 PolarHBondContact O-N 2.84Å; P91-R93 PolarHBondContact O-N 2.87Å; R93-G95 VanDerWaalsContact C-N 3.31Å; R93-D364 WeakPolarHBondContact CD-OD2 3.32Å; R93-D364 IonicContact CZ-OD1 2.74Å; R93-D364 VanDerWaalsContact NE-CG 3.32Å; R93-D364 IonicContact NE-OD1 2.66Å; R93-D364 PolarHBondContact NE-OD1 3.43Å; R93-D364 IonicContact NE-OD2 3.45Å; R93-D364 PolarHBondContact NE-OD2 2.92Å; R93-D364 IonicContact NH2-OD1 2.85Å; R93-D364 PolarHBondContact NH2-OD1 2.96Å; R93-H477 PolarHBondContact NH2-CE1 3.43Å; R93-H477 PolarHBondContact NH2-ND1 3.2Å; R93-L481 HydrophobicContact CG-CD1 3.93Å; R93-G484 VanDerWaalsContact O-CA 3.28Å; R93-G484 WeakPolarHBondContact O-CA 3.44Å; R93-G484 PolarHBondContact O-N 2.83Å
94	N	98.6	Very high	98.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-83.3	-6.7	-177.5	69.8	32.6	0	0	0	114.1	T87 R89 L90 P91 F96 E120	T87-N94 HydrophobicContact CG2-CB 4.3Å; T87-N94 PolarHBondContact OG1-ND2 3.49Å; R89-N94 HydrophobicContact CB-CB 4.49Å; R89-N94 PolarHBondContact O-ND2 3.44Å; L90-N94 PolarHBondContact O-N 2.88Å; P91-N94 VanDerWaalsContact CA-OD1 3.31Å; P91-N94 WeakPolarHBondContact CA-OD1 3.35Å; P91-N94 PolarHBondContact O-N 3.5Å; P91-N94 PolarHBondContact O-OD1 3.17Å; N94-F96 WeakPolarHBondContact OD1-CB 3.14Å; N94-F96 WeakPolarHBondContact OD1-CD2 3.34Å; N94-F96 PolarHBondContact OD1-N 3.02Å; N94-E120 WeakPolarHBondContact CA-OE1 3.49Å; N94-E120 HydrophobicContact CB-CG 4.09Å
95	G	98.6	Very high	98.3	Very high	1 Å²	1	16 Å²	16	1%	0.01	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	0.3	174.3	0	0	0	0	0	114.8	P91 R93 Y97 M485 Q487	P91-G95 PolarHBondContact O-N 3.38Å; R93-G95 VanDerWaalsContact C-N 3.31Å; G95-Y97 PolarHBondContact O-N 3.23Å; G95-M485 VanDerWaalsContact CA-O 3.32Å; G95-M485 WeakPolarHBondContact CA-O 3.39Å; G95-Q487 WeakPolarHBondContact O-CB 3.44Å; G95-Q487 PolarHBondContact O-N 2.97Å
96	F	98.8	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.			trans	-79.5	59.3	177.2	-81.7	-106.5	0	0	0	112.9	P80 A83 P91 N94 T108 I116 L142 L488	P80-F96 HydrophobicContact CB-CB 4.12Å; P80-F96 WeakPolarHBondContact CB-O 3.43Å; P80-F96 HydrophobicContact CG-CB 4.35Å; P80-F96 WeakPolarHBondContact CG-O 3.15Å; A83-F96 HydrophobicContact CB-CB 4.06Å; A83-F96 HydrophobicContact CB-CD1 3.8Å; A83-F96 HydrophobicContact CB-CD2 3.35Å; A83-F96 HydrophobicContact CB-CE1 4.07Å; A83-F96 HydrophobicContact CB-CE2 3.62Å; A83-F96 HydrophobicContact CB-CG 3.44Å; A83-F96 VanDerWaalsContact CB-CG 3.44Å; A83-F96 HydrophobicContact CB-CZ 3.99Å; P91-F96 HydrophobicContact CB-CB 4.31Å; P91-F96 WeakPolarHBondContact CB-O 3.32Å; P91-F96 PolarHBondContact O-N 2.86Å; P91-F96 VanDerWaalsContact O-N 3.12Å; N94-F96 WeakPolarHBondContact OD1-CB 3.14Å; N94-F96 WeakPolarHBondContact OD1-CD2 3.34Å; N94-F96 PolarHBondContact OD1-N 3.02Å; F96-T108 HydrophobicContact CE1-CG2 3.89Å; F96-I116 HydrophobicContact CD2-CD1 4.47Å; F96-I116 HydrophobicContact CE2-CB 3.89Å; F96-I116 HydrophobicContact CE2-CD1 3.62Å; F96-I116 HydrophobicContact CE2-CG1 4.35Å; F96-I116 HydrophobicContact CZ-CB 3.91Å; F96-I116 HydrophobicContact CZ-CD1 4.39Å; F96-L142 HydrophobicContact CE1-CB 4.31Å; F96-L142 HydrophobicContact CE1-CD1 4.48Å; F96-L142 HydrophobicContact CE1-CG 3.98Å; F96-L142 HydrophobicContact CE2-CG 4.38Å; F96-L142 HydrophobicContact CZ-CB 3.9Å; F96-L142 HydrophobicContact CZ-CG 3.61Å; F96-L488 HydrophobicContact CB-CD1 4.44Å
97	Y	98.8	Very high	98.3	Very high	16 Å²	16	19.9 Å²	19.9	6%	0.063	10%	0.099	C	C	.	.	S	Bend	trans	-150.6	170.8	174.6	74.8	-72.2	0	0	0	109.9	V92 G95 T99 N390 G484 P486 L488	V92-Y97 HydrophobicContact CG2-CE1 4.47Å; G95-Y97 PolarHBondContact O-N 3.23Å; Y97-T99 HydrophobicContact CD2-CG2 4.22Å; Y97-T99 HydrophobicContact CE2-CG2 3.5Å; Y97-N390 HydrophobicContact CD2-CB 3.66Å; Y97-N390 HydrophobicContact CE2-CB 3.72Å; Y97-G484 WeakPolarHBondContact CE1-O 3.35Å; Y97-G484 PolarHBondContact OH-O 3.22Å; Y97-P486 HydrophobicContact CD1-CB 4.32Å; Y97-P486 HydrophobicContact CD2-CB 4.46Å; Y97-P486 HydrophobicContact CE1-CB 3.97Å; Y97-P486 HydrophobicContact CE2-CB 4.15Å; Y97-P486 WeakPolarHBondContact O-CB 3.47Å; Y97-L488 WeakPolarHBondContact O-CB 3.31Å; Y97-L488 PolarHBondContact O-N 3.08Å
98	T	98.7	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.			trans	-115.4	150.6	175	-173.2	0	0	0	0	111.1	N100 R104 A106 N489 W522	T98-N100 WeakPolarHBondContact OG1-CB 3.42Å; T98-N100 PolarHBondContact OG1-N 2.84Å; T98-N100 VanDerWaalsContact OG1-N 3.08Å; T98-R104 HydrophobicContact CG2-CB 3.87Å; T98-A106 HydrophobicContact CG2-CB 3.72Å; T98-N489 VanDerWaalsContact CA-OD1 3.28Å; T98-N489 WeakPolarHBondContact CA-OD1 3.07Å; T98-N489 PolarHBondContact OG1-OD1 2.84Å; T98-W522 HydrophobicContact CG2-CG 4.23Å
99	T	98.4	Very high	98.3	Very high	65 Å²	65	20.3 Å²	20.3	40%	0.399	10%	0.102	S	C	.	.			trans	-115.4	12.6	167.1	56.5	0	0	0	0	112.2	Y97 A101 N390 P486 N489	Y97-T99 HydrophobicContact CD2-CG2 4.22Å; Y97-T99 HydrophobicContact CE2-CG2 3.5Å; T99-A101 PolarHBondContact O-N 2.91Å; T99-N390 HydrophobicContact CG2-CB 4.26Å; T99-P486 HydrophobicContact CG2-CB 4.28Å; T99-P486 HydrophobicContact CG2-CG 4.02Å; T99-N489 PolarHBondContact N-OD1 2.82Å; T99-N489 PolarHBondContact OG1-ND2 2.52Å
100	N	98.1	Very high	98.3	Very high	42 Å²	42	19.1 Å²	19.1	23%	0.225	10%	0.097	C	C	.	.	S	Bend	trans	-64.1	-32.7	179	-74.3	-8.3	0	0	0	112.1	T98 N489 C520	T98-N100 WeakPolarHBondContact OG1-CB 3.42Å; T98-N100 PolarHBondContact OG1-N 2.84Å; T98-N100 VanDerWaalsContact OG1-N 3.08Å; N100-N489 PolarHBondContact ND2-O 3.46Å; N100-N489 PolarHBondContact OD1-OD1 3.35Å; N100-C520 PolarHBondContact ND2-N 3.03Å; N100-C520 PolarHBondContact ND2-O 3.47Å
101	A	96.9	Very high	98.3	Very high	37 Å²	37	20.8 Å²	20.8	31%	0.306	11%	0.105	S	C	.	.	S	Bend	trans	-151.7	164.7	168	0	0	0	0	0	109.9	T99 R104	T99-A101 PolarHBondContact O-N 2.91Å; A101-R104 HydrophobicContact CB-CG 3.7Å
102	H	96.1	Very high	98.3	Very high	60 Å²	60	20.7 Å²	20.7	28%	0.278	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	138.6	-177.8	-174	45.2	0	0	0	112.1	R104 E391 W405 Q434	H102-R104 PolarHBondContact O-N 3.4Å; H102-R104 VanDerWaalsContact O-N 3.16Å; H102-E391 VanDerWaalsContact CE1-CD 3.48Å; H102-E391 WeakPolarHBondContact CE1-CG 3.36Å; H102-E391 IonicContact CE1-OE2 3.78Å; H102-E391 PolarHBondContact CE1-OE2 2.05Å; H102-E391 IonicContact ND1-OE2 2.74Å; H102-W405 AromaticContact NE2-CE2 3.76Å; H102-W405 AromaticContact NE2-CH2 3.47Å; H102-W405 WeakPolarHBondContact NE2-CH2 3.31Å; H102-W405 AromaticContact NE2-CZ2 3.47Å; H102-W405 WeakPolarHBondContact NE2-CZ2 3.12Å; H102-W405 AromaticContact NE2-CZ3 3.76Å; H102-Q434 PolarHBondContact CD2-OE1 2.9Å; H102-Q434 PolarHBondContact O-NE2 2.88Å
103	A	96.9	Very high	98.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	29.7	172.7	0	0	0	0	0	115.1	R388 N390 E391 M393 W407	A103-R388 WeakPolarHBondContact CA-O 3.34Å; A103-R388 WeakPolarHBondContact O-CD 3.43Å; A103-R388 WeakPolarHBondContact O-CG 3.3Å; A103-R388 PolarHBondContact O-NE 2.95Å; A103-R388 VanDerWaalsContact O-NE 3.15Å; A103-N390 PolarHBondContact N-OD1 3.09Å; A103-N390 VanDerWaalsContact N-OD1 3.08Å; A103-E391 HydrophobicContact CB-CB 3.95Å; A103-M393 HydrophobicContact CB-CE 4.34Å; A103-M393 HydrophobicContact CB-SD 3.82Å; A103-W407 VanDerWaalsContact O-CZ3 3.26Å; A103-W407 WeakPolarHBondContact O-CZ3 3.37Å
104	R	97.9	Very high	98.3	Very high	63 Å²	63	22 Å²	22	24%	0.238	12%	0.115	C	C	.	.			trans	-90.5	135.4	-179.2	-61.1	-57.9	172	112.2	-14.2	113.4	T98 A101 H102 G389 W522 P523 H524	T98-R104 HydrophobicContact CG2-CB 3.87Å; A101-R104 HydrophobicContact CB-CG 3.7Å; H102-R104 PolarHBondContact O-N 3.4Å; H102-R104 VanDerWaalsContact O-N 3.16Å; R104-G389 WeakPolarHBondContact O-CA 3.13Å; R104-G389 PolarHBondContact O-N 2.79Å; R104-W522 HydrophobicContact CB-CB 3.98Å; R104-W522 WeakPolarHBondContact CD-O 3.43Å; R104-W522 HydrophobicContact CG-CB 4.4Å; R104-W522 PolarHBondContact NH1-O 3.09Å; R104-P523 PolarHBondContact NH1-O 2.97Å; R104-H524 CarbonylContact C-O 3.59Å; R104-H524 WeakPolarHBondContact CA-O 3.3Å
105	N	98.4	Very high	98.3	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.114	C	C	.	.			trans	-69.8	142.5	166.1	-65.9	-38	0	0	0	110.2	P76 L77 E311 R388 H524	P76-N105 WeakPolarHBondContact CG-OD1 3.28Å; L77-N105 HydrophobicContact CD1-CB 3.98Å; N105-E311 VanDerWaalsContact CB-OE2 3.3Å; N105-E311 WeakPolarHBondContact CB-OE2 3.1Å; N105-E311 VanDerWaalsContact CG-OE2 3.28Å; N105-E311 VanDerWaalsContact ND2-CA 3.35Å; N105-E311 WeakPolarHBondContact ND2-CA 3.46Å; N105-E311 PolarHBondContact ND2-O 3.39Å; N105-E311 PolarHBondContact ND2-OE2 3.17Å; N105-R388 PolarHBondContact ND2-NE 3.31Å; N105-R388 WeakPolarHBondContact OD1-CG 3.43Å; N105-H524 VanDerWaalsContact N-C 3.33Å; N105-H524 PolarHBondContact N-O 3.23Å; N105-H524 PolarHBondContact N-OXT 2.95Å; N105-H524 VanDerWaalsContact N-OXT 3.16Å
106	A	98.5	Very high	98.3	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.017	11%	0.113	C	C	.	.			trans	-147.9	151	178.4	0	0	0	0	0	109.4	P80 T98 L488 W522	P80-A106 VanDerWaalsContact CG-O 3.29Å; P80-A106 WeakPolarHBondContact CG-O 3.47Å; T98-A106 HydrophobicContact CG2-CB 3.72Å; A106-L488 HydrophobicContact CB-CB 3.77Å; A106-L488 HydrophobicContact CB-CD1 3.69Å; A106-L488 HydrophobicContact CB-CG 4.4Å; A106-L488 WeakPolarHBondContact O-CD1 3.34Å; A106-W522 HydrophobicContact CB-CD2 3.81Å; A106-W522 HydrophobicContact CB-CE3 4.3Å; A106-W522 HydrophobicContact CB-CG 4.18Å; A106-W522 HydrophobicContact CB-CH2 4.38Å; A106-W522 HydrophobicContact CB-CZ2 3.89Å
107	Y	98.7	Very high	98.2	Very high	81 Å²	81	23 Å²	23	32%	0.318	12%	0.122	S	C	.	.			trans	-145.7	-169	-179.9	68.9	-86	0	0	0	111.1	L77 P109 H141 W522	L77-Y107 HydrophobicContact CD1-CD1 3.88Å; L77-Y107 HydrophobicContact CD1-CG 4.45Å; L77-Y107 VanDerWaalsContact CD2-CB 3.44Å; L77-Y107 HydrophobicContact CD2-CD1 4.14Å; L77-Y107 HydrophobicContact CD2-CG 3.92Å; Y107-P109 HydrophobicContact CD2-CB 4.34Å; Y107-P109 HydrophobicContact CE2-CB 3.65Å; Y107-P109 HydrophobicContact CE2-CG 4.24Å; Y107-P109 WeakPolarHBondContact O-CD 3.42Å; Y107-H141 AromaticContact CD2-CE1 3.85Å; Y107-H141 AromaticContact CD2-NE2 3.48Å; Y107-H141 WeakPolarHBondContact CD2-NE2 3.17Å; Y107-W522 HydrophobicContact CD1-CH2 4.14Å; Y107-W522 AromaticContact CD1-CZ3 3.64Å; Y107-W522 HydrophobicContact CD1-CZ3 3.64Å; Y107-W522 HydrophobicContact CE1-CH2 4.35Å; Y107-W522 AromaticContact CE1-CZ3 3.64Å; Y107-W522 HydrophobicContact CE1-CZ3 3.64Å; Y107-W522 HydrophobicContact CG-CZ3 4.45Å; Y107-W522 WeakPolarHBondContact O-CH2 3.48Å
108	T	98.7	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.			trans	-105.5	73.4	-179.1	54.6	0	0	0	0	113.1	S79 F96 I112 H141 N163 L488	S79-T108 PolarHBondContact OG-N 3Å; S79-T108 VanDerWaalsContact OG-N 3.09Å; S79-T108 PolarHBondContact OG-OG1 3.17Å; F96-T108 HydrophobicContact CE1-CG2 3.89Å; T108-I112 HydrophobicContact CG2-CG2 4.23Å; T108-H141 PolarHBondContact OG1-CD2 2.82Å; T108-H141 PolarHBondContact OG1-O 2.71Å; T108-N163 PolarHBondContact O-ND2 2.79Å; T108-L488 HydrophobicContact CG2-CD2 3.78Å
109	P	98.5	Very high	97.9	Very high	10 Å²	10	36 Å²	36	7%	0.065	18%	0.184	C	C	.	.			trans	-68.4	171.7	172.4	33.1	-38.8	0	0	0	111	Y107 E111 I112 W522	Y107-P109 HydrophobicContact CD2-CB 4.34Å; Y107-P109 HydrophobicContact CE2-CB 3.65Å; Y107-P109 HydrophobicContact CE2-CG 4.24Å; Y107-P109 WeakPolarHBondContact O-CD 3.42Å; P109-E111 HydrophobicContact CB-CG 4.41Å; P109-E111 HydrophobicContact CG-CG 4.1Å; P109-E111 PolarHBondContact O-N 2.83Å; P109-E111 VanDerWaalsContact O-N 3.13Å; P109-I112 HydrophobicContact CG-CB 4.34Å; P109-I112 WeakPolarHBondContact O-CB 3.32Å; P109-I112 WeakPolarHBondContact O-CG2 3.49Å; P109-I112 PolarHBondContact O-N 2.93Å; P109-W522 HydrophobicContact CG-CH2 3.87Å
110	Q	98.6	Very high	97.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.9	-177.3	-62.1	-163.5	71	0	0	113.7	I112 H144 P175 I177 M496 N497	Q110-I112 VanDerWaalsContact C-N 3.32Å; Q110-H144 PolarHBondContact O-CE1 3.36Å; Q110-H144 PolarHBondContact O-NE2 2.93Å; Q110-P175 PolarHBondContact NE2-O 3.27Å; Q110-P175 PolarHBondContact OE1-O 3.02Å; Q110-I177 VanDerWaalsContact CD-CG1 3.44Å; Q110-I177 HydrophobicContact CG-CD1 4.33Å; Q110-I177 HydrophobicContact CG-CG1 4.01Å; Q110-M496 HydrophobicContact CB-CB 4.06Å; Q110-M496 HydrophobicContact CB-CG 3.86Å; Q110-M496 WeakPolarHBondContact O-CA 3.38Å; Q110-N497 PolarHBondContact OE1-ND2 2.74Å
111	E	98.5	Very high	97.9	Very high	35 Å²	35	33.4 Å²	33.4	16%	0.164	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4	178.7	54.2	-92.6	-123.6	0	0	113.4	P109 V113 R174 C491 D492 M496 W518	P109-E111 HydrophobicContact CB-CG 4.41Å; P109-E111 HydrophobicContact CG-CG 4.1Å; P109-E111 PolarHBondContact O-N 2.83Å; P109-E111 VanDerWaalsContact O-N 3.13Å; E111-V113 PolarHBondContact O-N 3.34Å; E111-R174 IonicContact OE1-CZ 2.9Å; E111-R174 IonicContact OE1-NH1 3.4Å; E111-R174 IonicContact OE1-NH2 2.83Å; E111-R174 PolarHBondContact OE1-NH2 3.49Å; E111-R174 IonicContact OE2-CZ 3.58Å; E111-R174 VanDerWaalsContact OE2-CZ 3.27Å; E111-R174 IonicContact OE2-NH1 3.85Å; E111-R174 PolarHBondContact OE2-NH1 3.39Å; E111-R174 IonicContact OE2-NH2 2.89Å; E111-R174 PolarHBondContact OE2-NH2 2.99Å; E111-C491 HydrophobicContact CB-CB 4.22Å; E111-C491 HydrophobicContact CG-CB 4.03Å; E111-C491 CarbonylContact O-C 3.32Å; E111-C491 WeakPolarHBondContact O-CA 3.4Å; E111-D492 WeakPolarHBondContact CA-O 3.36Å; E111-D492 PolarHBondContact O-N 2.87Å; E111-M496 HydrophobicContact CB-CE 3.72Å; E111-M496 HydrophobicContact CB-CG 4.35Å; E111-M496 HydrophobicContact CG-CE 4.41Å; E111-W518 HydrophobicContact CB-CH2 4.34Å; E111-W518 HydrophobicContact CB-CZ2 4.49Å
112	I	98.8	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-65.2	134.7	-176.7	-160.7	68.9	0	0	0	111.7	T108 P109 Q110 H144 L488 M490 V495 W522	T108-I112 HydrophobicContact CG2-CG2 4.23Å; P109-I112 HydrophobicContact CG-CB 4.34Å; P109-I112 WeakPolarHBondContact O-CB 3.32Å; P109-I112 WeakPolarHBondContact O-CG2 3.49Å; P109-I112 PolarHBondContact O-N 2.93Å; Q110-I112 VanDerWaalsContact C-N 3.32Å; I112-H144 PolarHBondContact O-CE1 3.46Å; I112-H144 VanDerWaalsContact O-CE1 3.3Å; I112-L488 HydrophobicContact CD1-CB 4.37Å; I112-L488 HydrophobicContact CD1-CD2 4.26Å; I112-L488 HydrophobicContact CG1-CD2 4.21Å; I112-M490 WeakPolarHBondContact CD1-O 3.49Å; I112-V495 WeakPolarHBondContact O-CG2 3.28Å; I112-W522 HydrophobicContact CD1-CZ2 4.28Å
113	V	98.7	Very high	98.1	Very high	34 Å²	34	28.8 Å²	28.8	21%	0.206	14%	0.139	C	C	.	.	S	Bend	trans	-81.6	-39.4	177.5	175.4	0	0	0	0	111.5	E111 R145 M490 D492	E111-V113 PolarHBondContact O-N 3.34Å; V113-R145 WeakPolarHBondContact O-CD 3.38Å; V113-R145 PolarHBondContact O-NH1 3.16Å; V113-M490 HydrophobicContact CB-CB 3.95Å; V113-M490 WeakPolarHBondContact CB-O 3.45Å; V113-M490 HydrophobicContact CG2-CB 4.02Å; V113-M490 WeakPolarHBondContact CG2-O 3.32Å; V113-M490 PolarHBondContact N-O 3.23Å; V113-D492 HydrophobicContact CG2-CB 3.73Å
114	G	98.5	Very high	98.2	Very high	7 Å²	7	28.8 Å²	28.8	7%	0.072	14%	0.139	C	C	.	.			trans	-86.9	-173.6	-178.6	0	0	0	0	0	114.1	Y148	G114-Y148 VanDerWaalsContact C-CE2 3.43Å
115	G	98.7	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.			trans	175.9	-166.6	-177.8	0	0	0	0	0	109.7	S117 L142 Q487	G115-S117 PolarHBondContact O-N 3.24Å; G115-L142 CarbonylContact C-O 3.57Å; G115-L142 WeakPolarHBondContact CA-O 3.47Å; G115-Q487 VanDerWaalsContact O-CG 3.26Å; G115-Q487 WeakPolarHBondContact O-CG 3.4Å; G115-Q487 PolarHBondContact O-OE1 2.94Å
116	I	98.6	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-58.5	125.5	178.8	-174.2	65.5	0	0	0	111.2	T87 F96 E120 L122 W140 L142 Y148	T87-I116 HydrophobicContact CG2-CD1 4.12Å; F96-I116 HydrophobicContact CD2-CD1 4.47Å; F96-I116 HydrophobicContact CE2-CB 3.89Å; F96-I116 HydrophobicContact CE2-CD1 3.62Å; F96-I116 HydrophobicContact CE2-CG1 4.35Å; F96-I116 HydrophobicContact CZ-CB 3.91Å; F96-I116 HydrophobicContact CZ-CD1 4.39Å; I116-E120 HydrophobicContact CD1-CB 3.82Å; I116-E120 HydrophobicContact CD1-CG 4.07Å; I116-E120 HydrophobicContact CG1-CB 4.4Å; I116-L122 HydrophobicContact CD1-CD2 4.03Å; I116-L122 HydrophobicContact CG1-CD1 4.43Å; I116-L122 HydrophobicContact CG1-CD2 4.06Å; I116-W140 HydrophobicContact CG2-CZ2 4.23Å; I116-L142 HydrophobicContact CB-CB 4.15Å; I116-L142 HydrophobicContact CB-CD2 4.12Å; I116-L142 HydrophobicContact CB-CG 4.34Å; I116-L142 HydrophobicContact CD1-CD2 4.35Å; I116-L142 HydrophobicContact CG1-CD2 4.2Å; I116-L142 HydrophobicContact CG2-CB 4.14Å; I116-L142 HydrophobicContact CG2-CD2 4.47Å; I116-L142 PolarHBondContact N-O 2.88Å; I116-Y148 HydrophobicContact CG2-CD1 4.46Å; I116-Y148 WeakPolarHBondContact O-CD1 3.48Å; I116-Y148 WeakPolarHBondContact O-CE1 3.47Å
117	S	96.8	Very high	98.2	Very high	25 Å²	25	28.8 Å²	28.8	18%	0.175	14%	0.141	C	C	.	.			trans	-66.9	140.7	-179.7	-176.7	0	0	0	0	110	G115 D119 E120	G115-S117 PolarHBondContact O-N 3.24Å; S117-D119 PolarHBondContact O-N 2.89Å; S117-D119 VanDerWaalsContact O-N 3.12Å; S117-D119 PolarHBondContact OG-N 3.49Å; S117-E120 PolarHBondContact O-N 2.82Å; S117-E120 VanDerWaalsContact O-N 3.07Å
118	K	95.4	Very high	98.1	Very high	180 Å²	180	30.1 Å²	30.1	78%	0.783	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.9	169.8	66.6	173.6	-172	172.3	0	113.9
119	D	95.8	Very high	97.8	Very high	108 Å²	108	37.4 Å²	37.4	58%	0.578	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.9	179.2	-55.9	-35	0	0	0	111.5	S117 R361	S117-D119 PolarHBondContact O-N 2.89Å; S117-D119 VanDerWaalsContact O-N 3.12Å; S117-D119 PolarHBondContact OG-N 3.49Å; D119-R361 PolarHBondContact O-NH1 3.45Å; D119-R361 PolarHBondContact O-NH2 3.22Å
120	E	98.3	Very high	97.7	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.065	20%	0.195	C	C	.	.	S	Bend	trans	-76.5	147.4	170.8	-72.9	-61.4	158.7	0	0	110.3	T87 R89 N94 I116 S117 R361	T87-E120 HydrophobicContact CG2-CB 4.01Å; T87-E120 HydrophobicContact CG2-CG 4.24Å; R89-E120 WeakPolarHBondContact CD-OE2 3.33Å; R89-E120 IonicContact CZ-OE1 2.8Å; R89-E120 IonicContact CZ-OE2 3.54Å; R89-E120 IonicContact NE-OE1 3.99Å; R89-E120 PolarHBondContact NE-OE1 2.93Å; R89-E120 VanDerWaalsContact NE-OE1 3.15Å; R89-E120 IonicContact NE-OE2 3.23Å; R89-E120 PolarHBondContact NE-OE2 2.88Å; R89-E120 IonicContact NH2-OE1 3.98Å; R89-E120 PolarHBondContact NH2-OE1 3.19Å; N94-E120 WeakPolarHBondContact CA-OE1 3.49Å; N94-E120 HydrophobicContact CB-CG 4.09Å; I116-E120 HydrophobicContact CD1-CB 3.82Å; I116-E120 HydrophobicContact CD1-CG 4.07Å; I116-E120 HydrophobicContact CG1-CB 4.4Å; S117-E120 PolarHBondContact O-N 2.82Å; S117-E120 VanDerWaalsContact O-N 3.07Å; E120-R361 IonicContact OE2-NH1 2.73Å
121	I	98.2	Very high	97.5	Very high	40 Å²	40	42 Å²	42	21%	0.205	21%	0.213	C	C	.	.			trans	-111.7	117.4	179.2	-63.8	171.9	0	0	0	107	M126 P358	I121-M126 HydrophobicContact CG2-CG 3.53Å; I121-M126 HydrophobicContact CG2-SD 3.66Å; I121-P358 HydrophobicContact CD1-CB 4.29Å; I121-P358 HydrophobicContact CD1-CG 4.09Å; I121-P358 HydrophobicContact CG2-CG 4.44Å
122	L	98.8	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.			trans	-89.3	154.1	-179.1	-56.6	-158.8	0	0	0	112.6	L86 T87 I116 P124 E125 M126 W140 L142 H153	L86-L122 HydrophobicContact CB-CD1 4.34Å; L86-L122 HydrophobicContact CB-CD2 4.13Å; L86-L122 CarbonylContact O-C 3.49Å; L86-L122 VanDerWaalsContact O-CA 3.26Å; L86-L122 WeakPolarHBondContact O-CA 3.37Å; T87-L122 HydrophobicContact CG2-CD2 3.41Å; T87-L122 VanDerWaalsContact CG2-CD2 3.41Å; I116-L122 HydrophobicContact CD1-CD2 4.03Å; I116-L122 HydrophobicContact CG1-CD1 4.43Å; I116-L122 HydrophobicContact CG1-CD2 4.06Å; L122-P124 HydrophobicContact CB-CG 4.2Å; L122-E125 HydrophobicContact CB-CG 4.47Å; L122-E125 PolarHBondContact N-OE2 2.99Å; L122-E125 WeakPolarHBondContact O-CB 3.43Å; L122-E125 PolarHBondContact O-N 3.03Å; L122-E125 VanDerWaalsContact O-N 3.07Å; L122-M126 PolarHBondContact O-N 3.45Å; L122-W140 HydrophobicContact CD1-CH2 3.61Å; L122-W140 HydrophobicContact CD1-CZ2 4.33Å; L122-L142 HydrophobicContact CD1-CD2 4.25Å; L122-H153 HydrophobicContact CD1-CB 3.61Å; L122-H153 HydrophobicContact CG-CB 4.18Å
123	L	98.9	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-47.5	-52.2	176.8	179	58	0	0	0	113.6	I34 L86 E125 M126 L127 F227 F346 L350	I34-L123 HydrophobicContact CD1-CD2 4.11Å; L86-L123 PolarHBondContact O-N 3.33Å; L123-E125 VanDerWaalsContact C-N 3.29Å; L123-E125 PolarHBondContact O-N 3.26Å; L123-M126 PolarHBondContact O-N 3.24Å; L123-M126 VanDerWaalsContact O-N 3.14Å; L123-L127 HydrophobicContact CD1-CD1 3.9Å; L123-L127 HydrophobicContact CD1-CD2 4.3Å; L123-L127 HydrophobicContact CD1-CG 3.84Å; L123-L127 HydrophobicContact CD2-CD1 4.42Å; L123-L127 HydrophobicContact CG-CD1 3.81Å; L123-L127 HydrophobicContact CG-CG 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 2.76Å; L123-F227 HydrophobicContact CD2-CE1 4.26Å; L123-F227 HydrophobicContact CD2-CE2 4.13Å; L123-F227 HydrophobicContact CD2-CZ 3.79Å; L123-F227 HydrophobicContact CG-CE1 4.44Å; L123-F227 HydrophobicContact CG-CZ 4.44Å; L123-F346 HydrophobicContact CB-CD2 3.82Å; L123-F346 HydrophobicContact CB-CE2 4.14Å; L123-F346 HydrophobicContact CD1-CD2 4.37Å; L123-L350 HydrophobicContact CD1-CD2 3.74Å; L123-L350 HydrophobicContact CD1-CG 4.26Å
124	P	98.8	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-31.6	179.9	28	-39.9	0	0	0	113.4	L122 M126 L127 K128 H153 F155 F227	L122-P124 HydrophobicContact CB-CG 4.2Å; P124-M126 VanDerWaalsContact C-N 3.32Å; P124-M126 PolarHBondContact O-N 3.46Å; P124-L127 PolarHBondContact O-N 2.84Å; P124-K128 WeakPolarHBondContact O-CB 3.36Å; P124-K128 PolarHBondContact O-N 3.41Å; P124-H153 WeakPolarHBondContact CG-O 3.35Å; P124-F155 HydrophobicContact CB-CD1 4.22Å; P124-F155 HydrophobicContact CB-CD2 4.44Å; P124-F155 HydrophobicContact CB-CE1 4.28Å; P124-F155 HydrophobicContact CB-CG 4.31Å; P124-F155 HydrophobicContact CB-CZ 4.42Å; P124-F155 HydrophobicContact CG-CD1 4.38Å; P124-F155 HydrophobicContact CG-CD2 3.81Å; P124-F155 HydrophobicContact CG-CE1 4.25Å; P124-F155 HydrophobicContact CG-CE2 3.67Å; P124-F155 HydrophobicContact CG-CG 4.17Å; P124-F155 HydrophobicContact CG-CZ 3.91Å; P124-F227 HydrophobicContact CB-CD1 4.12Å; P124-F227 HydrophobicContact CB-CE1 4.27Å
125	E	98.6	Very high	97.6	Very high	62 Å²	62	40.9 Å²	40.9	29%	0.29	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-39.4	174.8	-61.9	-179.7	88.3	0	0	111.7	L122 L123 G154	L122-E125 HydrophobicContact CB-CG 4.47Å; L122-E125 PolarHBondContact N-OE2 2.99Å; L122-E125 WeakPolarHBondContact O-CB 3.43Å; L122-E125 PolarHBondContact O-N 3.03Å; L122-E125 VanDerWaalsContact O-N 3.07Å; L123-E125 VanDerWaalsContact C-N 3.29Å; L123-E125 PolarHBondContact O-N 3.26Å; E125-G154 VanDerWaalsContact CG-CA 3.48Å
126	M	98.3	Very high	97.6	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.034	21%	0.205	C	C	.	.	H	α-helix	trans	-69.2	-47.7	175.3	-69.3	-64.8	-69.6	0	0	111.1	I121 L122 L123 P124 K128 K129 F346 L350 I355 S356 P358	I121-M126 HydrophobicContact CG2-CG 3.53Å; I121-M126 HydrophobicContact CG2-SD 3.66Å; L122-M126 PolarHBondContact O-N 3.45Å; L123-M126 PolarHBondContact O-N 3.24Å; L123-M126 VanDerWaalsContact O-N 3.14Å; P124-M126 VanDerWaalsContact C-N 3.32Å; P124-M126 PolarHBondContact O-N 3.46Å; M126-K128 VanDerWaalsContact C-N 3.26Å; M126-K128 PolarHBondContact O-N 2.92Å; M126-K129 VanDerWaalsContact O-CB 3.25Å; M126-K129 WeakPolarHBondContact O-CB 3.48Å; M126-K129 PolarHBondContact O-N 3.47Å; M126-K129 HydrophobicContact SD-CD 4.27Å; M126-K129 PolarHBondContact SD-NZ 3.22Å; M126-F346 HydrophobicContact CG-CZ 4.38Å; M126-L350 HydrophobicContact CB-CD2 3.48Å; M126-L350 VanDerWaalsContact CB-CD2 3.48Å; M126-L350 HydrophobicContact CE-CD1 4.24Å; M126-L350 HydrophobicContact CG-CD2 4.27Å; M126-I355 HydrophobicContact CE-CG2 3.72Å; M126-I355 WeakPolarHBondContact O-CD1 3.46Å; M126-S356 WeakPolarHBondContact CE-O 3.14Å; M126-P358 HydrophobicContact CE-CG 4.19Å; M126-P358 HydrophobicContact SD-CG 4.25Å
127	L	98.5	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-35.8	-180	-68.9	178	0	0	0	112.2	I32 L123 P124 K129 N130 Y132 F227 L350 A353 I355	I32-L127 HydrophobicContact CD1-CD1 4.42Å; I32-L127 HydrophobicContact CD1-CD2 4.1Å; L123-L127 HydrophobicContact CD1-CD1 3.9Å; L123-L127 HydrophobicContact CD1-CD2 4.3Å; L123-L127 HydrophobicContact CD1-CG 3.84Å; L123-L127 HydrophobicContact CD2-CD1 4.42Å; L123-L127 HydrophobicContact CG-CD1 3.81Å; L123-L127 HydrophobicContact CG-CG 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 2.76Å; P124-L127 PolarHBondContact O-N 2.84Å; L127-K129 PolarHBondContact O-N 3.14Å; L127-K129 VanDerWaalsContact O-N 3.16Å; L127-N130 PolarHBondContact O-N 3.32Å; L127-Y132 HydrophobicContact CB-CD1 4.47Å; L127-Y132 HydrophobicContact CB-CD2 4.1Å; L127-Y132 HydrophobicContact CB-CG 3.87Å; L127-Y132 HydrophobicContact CD1-CD1 4.48Å; L127-Y132 HydrophobicContact CD2-CD2 4.26Å; L127-Y132 HydrophobicContact CD2-CE2 4.22Å; L127-Y132 HydrophobicContact CD2-CG 4.44Å; L127-Y132 WeakPolarHBondContact O-CD2 3.21Å; L127-Y132 PolarHBondContact O-N 2.86Å; L127-F227 HydrophobicContact CD1-CB 3.7Å; L127-F227 HydrophobicContact CD1-CD1 3.87Å; L127-F227 HydrophobicContact CD1-CD2 4.14Å; L127-F227 HydrophobicContact CD1-CG 3.63Å; L127-L350 HydrophobicContact CD2-CD2 4.42Å; L127-A353 HydrophobicContact CD2-CB 3.59Å; L127-I355 HydrophobicContact CD2-CD1 4.13Å
128	K	97.3	Very high	97.7	Very high	109 Å²	109	39.7 Å²	39.7	47%	0.474	20%	0.196	S	C	.	.	H	α-helix	trans	-56.5	-30.4	175.3	-172.2	165.6	-173.4	149	0	113.1	P124 M126 N130 G131 D156	P124-K128 WeakPolarHBondContact O-CB 3.36Å; P124-K128 PolarHBondContact O-N 3.41Å; M126-K128 VanDerWaalsContact C-N 3.26Å; M126-K128 PolarHBondContact O-N 2.92Å; K128-N130 PolarHBondContact O-N 3.07Å; K128-G131 PolarHBondContact O-N 2.81Å; K128-D156 IonicContact NZ-OD1 3.76Å; K128-D156 PolarHBondContact NZ-OD1 3.16Å
129	K	92.5	Very high	97.9	Very high	152 Å²	152	31.1 Å²	31.1	66%	0.661	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.5	176	-60.8	176.2	179.9	172.1	0	113	M126 L127	M126-K129 VanDerWaalsContact O-CB 3.25Å; M126-K129 WeakPolarHBondContact O-CB 3.48Å; M126-K129 PolarHBondContact O-N 3.47Å; M126-K129 HydrophobicContact SD-CD 4.27Å; M126-K129 PolarHBondContact SD-NZ 3.22Å; L127-K129 PolarHBondContact O-N 3.14Å; L127-K129 VanDerWaalsContact O-N 3.16Å
130	N	94.6	Very high	98	Very high	71 Å²	71	26 Å²	26	38%	0.38	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	26.1	175.9	-152.1	28.1	0	0	0	112.8	S29 L127 K128 Y132 A353 I355	S29-N130 PolarHBondContact OG-ND2 3.13Å; S29-N130 VanDerWaalsContact OG-ND2 3.17Å; L127-N130 PolarHBondContact O-N 3.32Å; K128-N130 PolarHBondContact O-N 3.07Å; N130-Y132 HydrophobicContact CB-CD2 4.47Å; N130-Y132 PolarHBondContact O-N 2.74Å; N130-A353 PolarHBondContact ND2-O 3.08Å; N130-I355 HydrophobicContact CB-CD1 3.8Å; N130-I355 HydrophobicContact CB-CG1 4.05Å
131	G	95.8	Very high	98	Very high	38 Å²	38	25.5 Å²	25.5	39%	0.392	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	12.2	170.5	0	0	0	0	0	115.6	K128	K128-G131 PolarHBondContact O-N 2.81Å
132	Y	98.6	Very high	98.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	12%	0.12	C	C	.	.			trans	-67.8	137.5	174.1	-78.1	-107.8	0	0	0	111.3	S29 P30 I32 L127 N130 P225 F227 A353	S29-Y132 VanDerWaalsContact CB-OH 3.28Å; S29-Y132 WeakPolarHBondContact CB-OH 3.39Å; P30-Y132 VanDerWaalsContact O-CE1 3.29Å; P30-Y132 WeakPolarHBondContact O-CE1 3.28Å; P30-Y132 VanDerWaalsContact O-CZ 3.31Å; P30-Y132 PolarHBondContact O-OH 2.79Å; I32-Y132 HydrophobicContact CD1-CE1 4.02Å; I32-Y132 HydrophobicContact CG1-CE1 4.13Å; L127-Y132 HydrophobicContact CB-CD1 4.47Å; L127-Y132 HydrophobicContact CB-CD2 4.1Å; L127-Y132 HydrophobicContact CB-CG 3.87Å; L127-Y132 HydrophobicContact CD1-CD1 4.48Å; L127-Y132 HydrophobicContact CD2-CD2 4.26Å; L127-Y132 HydrophobicContact CD2-CE2 4.22Å; L127-Y132 HydrophobicContact CD2-CG 4.44Å; L127-Y132 WeakPolarHBondContact O-CD2 3.21Å; L127-Y132 PolarHBondContact O-N 2.86Å; N130-Y132 HydrophobicContact CB-CD2 4.47Å; N130-Y132 PolarHBondContact O-N 2.74Å; Y132-P225 WeakPolarHBondContact CA-O 3.5Å; Y132-P225 HydrophobicContact CD1-CB 4.1Å; Y132-P225 HydrophobicContact CD2-CB 4.32Å; Y132-P225 HydrophobicContact CD2-CG 4.29Å; Y132-P225 HydrophobicContact CE1-CB 3.98Å; Y132-P225 HydrophobicContact CE2-CB 4.23Å; Y132-P225 HydrophobicContact CE2-CG 4.49Å; Y132-P225 HydrophobicContact CG-CB 4.27Å; Y132-P225 HydrophobicContact CG-CG 4.41Å; Y132-F227 HydrophobicContact CD1-CB 4.22Å; Y132-A353 HydrophobicContact CE2-CB 3.71Å
133	I	98.8	Very high	98	Very high	47 Å²	47	23.6 Å²	23.6	24%	0.241	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.4	160.9	-55.6	-58.3	0	0	0	108.4	D156 F215 Q224 P225 F226 F227	I133-D156 WeakPolarHBondContact CA-OD2 3.37Å; I133-D156 HydrophobicContact CG2-CB 4.16Å; I133-F215 HydrophobicContact CG2-CE2 3.88Å; I133-F215 HydrophobicContact CG2-CZ 4.15Å; I133-F215 WeakPolarHBondContact O-CZ 3.4Å; I133-Q224 HydrophobicContact CG1-CB 4.23Å; I133-Q224 HydrophobicContact CG1-CG 4.47Å; I133-P225 PolarHBondContact N-O 3.25Å; I133-P225 VanDerWaalsContact N-O 3.07Å; I133-F226 CarbonylContact O-C 3.52Å; I133-F226 VanDerWaalsContact O-CA 3.29Å; I133-F226 WeakPolarHBondContact O-CA 3.38Å; I133-F227 PolarHBondContact O-N 3.33Å
134	S	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.2	-173.3	-62	0	0	0	0	112	D156 E157 F227	S134-D156 PolarHBondContact N-OD2 2.98Å; S134-D156 PolarHBondContact O-N 3.48Å; S134-E157 PolarHBondContact O-N 3.24Å; S134-E157 VanDerWaalsContact O-N 3.13Å; S134-F227 CarbonylContact C-O 3.56Å; S134-F227 WeakPolarHBondContact CA-O 3.38Å
135	K	98.9	Very high	98	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.7	172.7	-175.3	172.6	-171.7	174	0	111.4	V137 E157 E211 F215 F227 L228 Y229	K135-V137 HydrophobicContact CD-CG2 4.06Å; K135-V137 HydrophobicContact CG-CG2 4.05Å; K135-E157 WeakPolarHBondContact CA-O 3.45Å; K135-E157 HydrophobicContact CB-CB 3.96Å; K135-E157 HydrophobicContact CD-CB 3.94Å; K135-E157 HydrophobicContact CG-CB 3.68Å; K135-E157 IonicContact NZ-OE2 3.74Å; K135-E211 PolarHBondContact NZ-O 3.42Å; K135-E211 VanDerWaalsContact NZ-O 3.11Å; K135-E211 IonicContact NZ-OE2 3.6Å; K135-E211 PolarHBondContact NZ-OE2 3Å; K135-F215 HydrophobicContact CB-CD1 3.9Å; K135-F215 HydrophobicContact CB-CD2 3.76Å; K135-F215 HydrophobicContact CB-CE1 3.74Å; K135-F215 HydrophobicContact CB-CE2 3.6Å; K135-F215 HydrophobicContact CB-CG 3.9Å; K135-F215 HydrophobicContact CB-CZ 3.58Å; K135-F215 HydrophobicContact CD-CB 3.62Å; K135-F215 HydrophobicContact CD-CD1 4.25Å; K135-F215 HydrophobicContact CD-CD2 3.6Å; K135-F215 HydrophobicContact CD-CE2 4.3Å; K135-F215 HydrophobicContact CD-CG 3.56Å; K135-F215 HydrophobicContact CG-CD2 4.32Å; K135-F215 HydrophobicContact CG-CG 4.36Å; K135-F227 PolarHBondContact N-O 3.2Å; K135-L228 HydrophobicContact CB-CD1 4.36Å; K135-Y229 PolarHBondContact O-N 3.49Å
136	I	98.9	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.3	163.2	172.8	170.5	0	0	0	109.6	W140 P150 F155 E157 W158 F159 Y229	I136-W140 HydrophobicContact CD1-CB 4.17Å; I136-W140 HydrophobicContact CD1-CD2 4.41Å; I136-W140 HydrophobicContact CD1-CE3 3.6Å; I136-W140 HydrophobicContact CD1-CZ3 4.32Å; I136-P150 HydrophobicContact CG2-CB 3.8Å; I136-P150 HydrophobicContact CG2-CG 3.98Å; I136-F155 HydrophobicContact CB-CD1 3.86Å; I136-F155 HydrophobicContact CB-CD2 4.45Å; I136-F155 HydrophobicContact CB-CE1 3.75Å; I136-F155 HydrophobicContact CB-CE2 4.34Å; I136-F155 HydrophobicContact CB-CG 4.22Å; I136-F155 HydrophobicContact CB-CZ 4Å; I136-F155 HydrophobicContact CG2-CB 4.15Å; I136-F155 HydrophobicContact CG2-CD1 3.84Å; I136-F155 HydrophobicContact CG2-CD2 4.05Å; I136-F155 HydrophobicContact CG2-CE1 4.22Å; I136-F155 HydrophobicContact CG2-CE2 4.4Å; I136-F155 HydrophobicContact CG2-CG 3.74Å; I136-F155 HydrophobicContact CG2-CZ 4.48Å; I136-E157 PolarHBondContact N-O 2.9Å; I136-W158 HydrophobicContact CG2-CB 3.71Å; I136-W158 HydrophobicContact CG2-CG 3.66Å; I136-W158 WeakPolarHBondContact O-CA 3.44Å; I136-F159 PolarHBondContact O-N 2.94Å; I136-F159 VanDerWaalsContact O-N 3.11Å; I136-Y229 WeakPolarHBondContact CA-O 3.46Å; I136-Y229 HydrophobicContact CB-CD1 4.14Å; I136-Y229 HydrophobicContact CD1-CD1 3.68Å; I136-Y229 HydrophobicContact CD1-CE1 3.88Å; I136-Y229 HydrophobicContact CG1-CD1 3.74Å; I136-Y229 HydrophobicContact CG1-CE1 4.37Å
137	V	98.9	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124	171	-179.2	0	0	0	0	108.6	K135 F159 Y208 E211 L228 Y229 A231	K135-V137 HydrophobicContact CD-CG2 4.06Å; K135-V137 HydrophobicContact CG-CG2 4.05Å; V137-F159 CarbonylContact C-O 3.59Å; V137-F159 WeakPolarHBondContact CA-O 3.49Å; V137-Y208 HydrophobicContact CG1-CD1 3.79Å; V137-Y208 HydrophobicContact CG1-CG 4.01Å; V137-Y208 WeakPolarHBondContact CG1-O 3.43Å; V137-E211 HydrophobicContact CG1-CB 4Å; V137-E211 HydrophobicContact CG2-CB 4.02Å; V137-L228 HydrophobicContact CG2-CD1 3.83Å; V137-Y229 PolarHBondContact N-O 3.42Å; V137-A231 WeakPolarHBondContact O-CA 3.26Å; V137-A231 PolarHBondContact O-N 3.13Å
138	G	98.8	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.8	-143.8	179.6	0	0	0	0	0	114.1	W158 F159 G160 S161	G138-W158 PolarHBondContact O-NE1 3.07Å; G138-F159 PolarHBondContact N-O 3.45Å; G138-G160 WeakPolarHBondContact O-CA 3.49Å; G138-S161 PolarHBondContact O-N 2.73Å
139	K	98.9	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.4	-166.5	-170.1	178.2	72.6	175.8	0	112.2	D38 C78 R82 H141 A231 D233	D38-K139 IonicContact OD1-NZ 3.36Å; D38-K139 PolarHBondContact OD1-NZ 3.11Å; D38-K139 VanDerWaalsContact OD2-CE 3.22Å; D38-K139 WeakPolarHBondContact OD2-CE 3.25Å; D38-K139 IonicContact OD2-NZ 2.91Å; D38-K139 PolarHBondContact OD2-NZ 2.88Å; C78-K139 PolarHBondContact SG-NZ 2.89Å; R82-K139 PolarHBondContact NH1-O 2.68Å; K139-H141 HydrophobicContact CD-CB 4.4Å; K139-H141 HydrophobicContact CG-CB 4.17Å; K139-A231 PolarHBondContact N-O 3.48Å; K139-D233 HydrophobicContact CB-CB 4.26Å; K139-D233 HydrophobicContact CD-CB 4.43Å
140	W	98.9	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.			trans	-82.1	-65.9	176.8	173	-130.4	0	0	0	112.6	L86 I116 L122 I136 L142 G143 Y148 P150 F155 W158 S161	L86-W140 HydrophobicContact CD1-CE3 4.3Å; L86-W140 HydrophobicContact CD1-CH2 3.89Å; L86-W140 HydrophobicContact CD1-CZ3 3.37Å; I116-W140 HydrophobicContact CG2-CZ2 4.23Å; L122-W140 HydrophobicContact CD1-CH2 3.61Å; L122-W140 HydrophobicContact CD1-CZ2 4.33Å; I136-W140 HydrophobicContact CD1-CB 4.17Å; I136-W140 HydrophobicContact CD1-CD2 4.41Å; I136-W140 HydrophobicContact CD1-CE3 3.6Å; I136-W140 HydrophobicContact CD1-CZ3 4.32Å; W140-L142 VanDerWaalsContact C-N 3.32Å; W140-L142 HydrophobicContact CD2-CB 3.89Å; W140-L142 HydrophobicContact CE3-CB 4.4Å; W140-L142 HydrophobicContact CG-CB 4.45Å; W140-L142 HydrophobicContact CH2-CB 4.08Å; W140-L142 HydrophobicContact CH2-CD2 3.51Å; W140-L142 HydrophobicContact CH2-CG 4.36Å; W140-L142 HydrophobicContact CZ2-CB 3.48Å; W140-L142 VanDerWaalsContact CZ2-CB 3.48Å; W140-L142 HydrophobicContact CZ2-CD2 3.73Å; W140-L142 HydrophobicContact CZ2-CG 4.22Å; W140-L142 HydrophobicContact CZ3-CB 4.49Å; W140-L142 HydrophobicContact CZ3-CD2 3.96Å; W140-L142 WeakPolarHBondContact O-CD1 3.34Å; W140-L142 PolarHBondContact O-N 2.93Å; W140-G143 PolarHBondContact NE1-O 3.37Å; W140-Y148 PolarHBondContact NE1-O 3.21Å; W140-P150 HydrophobicContact CD2-CB 4.07Å; W140-P150 HydrophobicContact CD2-CG 4.37Å; W140-P150 HydrophobicContact CE3-CB 4.14Å; W140-P150 HydrophobicContact CG-CG 4.41Å; W140-P150 HydrophobicContact CH2-CB 4.29Å; W140-P150 HydrophobicContact CZ2-CB 4.25Å; W140-P150 HydrophobicContact CZ3-CB 4.24Å; W140-F155 HydrophobicContact CH2-CE2 4.2Å; W140-F155 HydrophobicContact CZ3-CD2 4.37Å; W140-F155 AromaticContact CZ3-CE2 3.73Å; W140-F155 HydrophobicContact CZ3-CE2 3.73Å; W140-W158 HydrophobicContact CB-CZ2 4.05Å; W140-S161 PolarHBondContact N-O 2.64Å
141	H	98.7	Very high	98.4	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.019	11%	0.11	C	C	.	.			trans	62.8	26.9	174.8	-136.1	-165.8	0	0	0	116.5	C78 S79 Y107 T108 K139 P162	C78-H141 VanDerWaalsContact CB-ND1 3.33Å; C78-H141 WeakPolarHBondContact CB-ND1 3.32Å; S79-H141 WeakPolarHBondContact CB-O 3.34Å; S79-H141 PolarHBondContact OG-CD2 3.42Å; S79-H141 VanDerWaalsContact OG-CD2 3.23Å; S79-H141 PolarHBondContact OG-CE1 2.97Å; S79-H141 VanDerWaalsContact OG-CE1 3.28Å; S79-H141 PolarHBondContact OG-ND1 3.34Å; S79-H141 VanDerWaalsContact OG-ND1 3.12Å; S79-H141 PolarHBondContact OG-NE2 3.19Å; S79-H141 PolarHBondContact OG-O 3.11Å; Y107-H141 AromaticContact CD2-CE1 3.85Å; Y107-H141 AromaticContact CD2-NE2 3.48Å; Y107-H141 WeakPolarHBondContact CD2-NE2 3.17Å; T108-H141 PolarHBondContact OG1-CD2 2.82Å; T108-H141 PolarHBondContact OG1-O 2.71Å; K139-H141 HydrophobicContact CD-CB 4.4Å; K139-H141 HydrophobicContact CG-CB 4.17Å; H141-P162 VanDerWaalsContact CA-O 3.29Å; H141-P162 WeakPolarHBondContact CA-O 3.44Å; H141-P162 PolarHBondContact N-O 3.08Å
142	L	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-112.8	18.1	174.4	-94.2	66.1	0	0	0	112.6	R82 A83 L86 F96 G115 I116 L122 W140	R82-L142 HydrophobicContact CB-CD1 3.59Å; A83-L142 HydrophobicContact CB-CD1 4.32Å; A83-L142 HydrophobicContact CB-CD2 4.43Å; A83-L142 HydrophobicContact CB-CG 4.22Å; L86-L142 HydrophobicContact CD1-CD1 4.48Å; L86-L142 HydrophobicContact CD1-CD2 3.74Å; F96-L142 HydrophobicContact CE1-CB 4.31Å; F96-L142 HydrophobicContact CE1-CD1 4.48Å; F96-L142 HydrophobicContact CE1-CG 3.98Å; F96-L142 HydrophobicContact CE2-CG 4.38Å; F96-L142 HydrophobicContact CZ-CB 3.9Å; F96-L142 HydrophobicContact CZ-CG 3.61Å; G115-L142 CarbonylContact C-O 3.57Å; G115-L142 WeakPolarHBondContact CA-O 3.47Å; I116-L142 HydrophobicContact CB-CB 4.15Å; I116-L142 HydrophobicContact CB-CD2 4.12Å; I116-L142 HydrophobicContact CB-CG 4.34Å; I116-L142 HydrophobicContact CD1-CD2 4.35Å; I116-L142 HydrophobicContact CG1-CD2 4.2Å; I116-L142 HydrophobicContact CG2-CB 4.14Å; I116-L142 HydrophobicContact CG2-CD2 4.47Å; I116-L142 PolarHBondContact N-O 2.88Å; L122-L142 HydrophobicContact CD1-CD2 4.25Å; W140-L142 VanDerWaalsContact C-N 3.32Å; W140-L142 HydrophobicContact CD2-CB 3.89Å; W140-L142 HydrophobicContact CE3-CB 4.4Å; W140-L142 HydrophobicContact CG-CB 4.45Å; W140-L142 HydrophobicContact CH2-CB 4.08Å; W140-L142 HydrophobicContact CH2-CD2 3.51Å; W140-L142 HydrophobicContact CH2-CG 4.36Å; W140-L142 HydrophobicContact CZ2-CB 3.48Å; W140-L142 VanDerWaalsContact CZ2-CB 3.48Å; W140-L142 HydrophobicContact CZ2-CD2 3.73Å; W140-L142 HydrophobicContact CZ2-CG 4.22Å; W140-L142 HydrophobicContact CZ3-CB 4.49Å; W140-L142 HydrophobicContact CZ3-CD2 3.96Å; W140-L142 WeakPolarHBondContact O-CD1 3.34Å; W140-L142 PolarHBondContact O-N 2.93Å
143	G	98.6	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.			trans	114.8	139.8	-176.3	0	0	0	0	0	112	W140	W140-G143 PolarHBondContact NE1-O 3.37Å
144	H	98.6	Very high	98.4	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.028	12%	0.115	C	C	.	.			trans	-104.9	-12.5	-174.2	65.6	-75.1	0	0	0	114.2	Q110 I112 P162 N163 V495 N497	Q110-H144 PolarHBondContact O-CE1 3.36Å; Q110-H144 PolarHBondContact O-NE2 2.93Å; I112-H144 PolarHBondContact O-CE1 3.46Å; I112-H144 VanDerWaalsContact O-CE1 3.3Å; H144-P162 HydrophobicContact CB-CB 3.57Å; H144-P162 HydrophobicContact CB-CG 3.84Å; H144-N163 WeakPolarHBondContact CB-OD1 3.36Å; H144-V495 PolarHBondContact NE2-O 2.98Å; H144-N497 PolarHBondContact CD2-OD1 3.38Å
145	R	98.1	Very high	98.4	Very high	74 Å²	74	23.4 Å²	23.4	28%	0.279	12%	0.116	S	C	.	.	S	Bend	trans	-71.4	153.2	178.4	-58.6	177.9	63.6	-162.1	1.1	109.9	V113 Q147 Y148	V113-R145 WeakPolarHBondContact O-CD 3.38Å; V113-R145 PolarHBondContact O-NH1 3.16Å; R145-Q147 VanDerWaalsContact C-N 3.3Å; R145-Q147 PolarHBondContact O-N 2.86Å; R145-Q147 VanDerWaalsContact O-N 3.09Å; R145-Y148 HydrophobicContact CB-CD2 3.8Å; R145-Y148 HydrophobicContact CB-CE2 4.13Å; R145-Y148 HydrophobicContact CG-CD2 4.46Å; R145-Y148 PolarHBondContact O-N 3.03Å
146	P	96.4	Very high	98.4	Very high	79 Å²	79	25.5 Å²	25.5	51%	0.513	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-49.2	-44.5	-170.2	-31.5	36.7	0	0	0	115	Y148 L149	P146-Y148 PolarHBondContact O-N 3.19Å; P146-Y148 VanDerWaalsContact O-N 3.13Å; P146-L149 PolarHBondContact O-N 2.79Å
147	Q	97.2	Very high	98.4	Very high	81 Å²	81	27.2 Å²	27.2	38%	0.379	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-69.6	-8.1	-178.5	73.2	-84	16.5	0	0	115	R145 H153	R145-Q147 VanDerWaalsContact C-N 3.3Å; R145-Q147 PolarHBondContact O-N 2.86Å; R145-Q147 VanDerWaalsContact O-N 3.09Å; Q147-H153 PolarHBondContact O-NE2 3.19Å
148	Y	98.4	Very high	98.4	Very high	32 Å²	32	27.3 Å²	27.3	13%	0.125	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-109.4	-2.3	-180	-54.1	-50	0	0	0	112.6	G114 I116 W140 R145 P146	G114-Y148 VanDerWaalsContact C-CE2 3.43Å; I116-Y148 HydrophobicContact CG2-CD1 4.46Å; I116-Y148 WeakPolarHBondContact O-CD1 3.48Å; I116-Y148 WeakPolarHBondContact O-CE1 3.47Å; W140-Y148 PolarHBondContact NE1-O 3.21Å; R145-Y148 HydrophobicContact CB-CD2 3.8Å; R145-Y148 HydrophobicContact CB-CE2 4.13Å; R145-Y148 HydrophobicContact CG-CD2 4.46Å; R145-Y148 PolarHBondContact O-N 3.03Å; P146-Y148 PolarHBondContact O-N 3.19Å; P146-Y148 VanDerWaalsContact O-N 3.13Å
149	L	98.3	Very high	98.4	Very high	14 Å²	14	27.9 Å²	27.9	7%	0.073	14%	0.138	C	C	.	.	S	Bend	trans	-69.1	147.5	-177.7	-66.9	-177.5	0	0	0	111.3	P146 L151 E152 H153 W158 P162 Y180	P146-L149 PolarHBondContact O-N 2.79Å; L149-L151 PolarHBondContact O-N 2.86Å; L149-E152 WeakPolarHBondContact O-CB 3.37Å; L149-E152 PolarHBondContact O-N 2.98Å; L149-H153 PolarHBondContact O-CD2 2.9Å; L149-W158 HydrophobicContact CD2-CH2 4.09Å; L149-W158 HydrophobicContact CD2-CZ3 3.94Å; L149-P162 HydrophobicContact CD2-CB 4.36Å; L149-Y180 HydrophobicContact CD1-CE1 4.09Å
150	P	98.6	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.8	-167.5	21	-33.1	0	0	0	114.7	I136 W140 E152 H153 F155 W158	I136-P150 HydrophobicContact CG2-CB 3.8Å; I136-P150 HydrophobicContact CG2-CG 3.98Å; W140-P150 HydrophobicContact CD2-CB 4.07Å; W140-P150 HydrophobicContact CD2-CG 4.37Å; W140-P150 HydrophobicContact CE3-CB 4.14Å; W140-P150 HydrophobicContact CG-CG 4.41Å; W140-P150 HydrophobicContact CH2-CB 4.29Å; W140-P150 HydrophobicContact CZ2-CB 4.25Å; W140-P150 HydrophobicContact CZ3-CB 4.24Å; P150-E152 PolarHBondContact O-N 3.12Å; P150-H153 CarbonylContact O-C 3.58Å; P150-H153 PolarHBondContact O-N 3.01Å; P150-F155 HydrophobicContact CB-CB 4.24Å; P150-F155 HydrophobicContact CB-CD2 3.65Å; P150-F155 HydrophobicContact CB-CE2 4.4Å; P150-F155 HydrophobicContact CB-CG 4.23Å; P150-F155 PolarHBondContact O-N 2.83Å; P150-W158 HydrophobicContact CG-CB 4.12Å; P150-W158 HydrophobicContact CG-CD2 3.4Å; P150-W158 HydrophobicContact CG-CE3 3.49Å; P150-W158 VanDerWaalsContact CG-CE3 3.49Å; P150-W158 HydrophobicContact CG-CG 3.72Å; P150-W158 HydrophobicContact CG-CH2 4.37Å; P150-W158 HydrophobicContact CG-CZ2 4.29Å; P150-W158 HydrophobicContact CG-CZ3 4.01Å
151	L	98.3	Very high	98.4	Very high	45 Å²	45	27.9 Å²	27.9	24%	0.236	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-68.6	-22.8	177.7	-90.1	64.4	0	0	0	113.4	L149 F155 W158 N182 S183	L149-L151 PolarHBondContact O-N 2.86Å; L151-F155 WeakPolarHBondContact CA-O 3.4Å; L151-W158 HydrophobicContact CD1-CB 3.61Å; L151-N182 HydrophobicContact CD2-CB 3.84Å; L151-S183 WeakPolarHBondContact CD2-OG 3.41Å
152	E	97.4	Very high	98.4	Very high	132 Å²	132	27.7 Å²	27.7	62%	0.617	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-79.1	-10.7	172.1	-58.7	-61.1	139.1	0	0	112	L149 P150	L149-E152 WeakPolarHBondContact O-CB 3.37Å; L149-E152 PolarHBondContact O-N 2.98Å; P150-E152 PolarHBondContact O-N 3.12Å
153	H	98.3	Very high	98.4	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.037	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-125.9	39.8	-172.5	-63	-90.2	0	0	0	111.8	L122 P124 Q147 L149 P150	L122-H153 HydrophobicContact CD1-CB 3.61Å; L122-H153 HydrophobicContact CG-CB 4.18Å; P124-H153 WeakPolarHBondContact CG-O 3.35Å; Q147-H153 PolarHBondContact O-NE2 3.19Å; L149-H153 PolarHBondContact O-CD2 2.9Å; P150-H153 CarbonylContact O-C 3.58Å; P150-H153 PolarHBondContact O-N 3.01Å
154	G	98.3	Very high	98.4	Very high	10 Å²	10	28.8 Å²	28.8	10%	0.103	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-14.7	166.4	0	0	0	0	0	116.9	E125	E125-G154 VanDerWaalsContact CG-CA 3.48Å
155	F	98.9	Very high	98.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.018	14%	0.143	C	C	.	.			trans	-71.6	139.2	171.9	-71.6	-80.2	0	0	0	110.7	L86 P124 I136 W140 P150 L151 F227 Y229	L86-F155 HydrophobicContact CD2-CZ 4.25Å; P124-F155 HydrophobicContact CB-CD1 4.22Å; P124-F155 HydrophobicContact CB-CD2 4.44Å; P124-F155 HydrophobicContact CB-CE1 4.28Å; P124-F155 HydrophobicContact CB-CG 4.31Å; P124-F155 HydrophobicContact CB-CZ 4.42Å; P124-F155 HydrophobicContact CG-CD1 4.38Å; P124-F155 HydrophobicContact CG-CD2 3.81Å; P124-F155 HydrophobicContact CG-CE1 4.25Å; P124-F155 HydrophobicContact CG-CE2 3.67Å; P124-F155 HydrophobicContact CG-CG 4.17Å; P124-F155 HydrophobicContact CG-CZ 3.91Å; I136-F155 HydrophobicContact CB-CD1 3.86Å; I136-F155 HydrophobicContact CB-CD2 4.45Å; I136-F155 HydrophobicContact CB-CE1 3.75Å; I136-F155 HydrophobicContact CB-CE2 4.34Å; I136-F155 HydrophobicContact CB-CG 4.22Å; I136-F155 HydrophobicContact CB-CZ 4Å; I136-F155 HydrophobicContact CG2-CB 4.15Å; I136-F155 HydrophobicContact CG2-CD1 3.84Å; I136-F155 HydrophobicContact CG2-CD2 4.05Å; I136-F155 HydrophobicContact CG2-CE1 4.22Å; I136-F155 HydrophobicContact CG2-CE2 4.4Å; I136-F155 HydrophobicContact CG2-CG 3.74Å; I136-F155 HydrophobicContact CG2-CZ 4.48Å; W140-F155 HydrophobicContact CH2-CE2 4.2Å; W140-F155 HydrophobicContact CZ3-CD2 4.37Å; W140-F155 AromaticContact CZ3-CE2 3.73Å; W140-F155 HydrophobicContact CZ3-CE2 3.73Å; P150-F155 HydrophobicContact CB-CB 4.24Å; P150-F155 HydrophobicContact CB-CD2 3.65Å; P150-F155 HydrophobicContact CB-CE2 4.4Å; P150-F155 HydrophobicContact CB-CG 4.23Å; P150-F155 PolarHBondContact O-N 2.83Å; L151-F155 WeakPolarHBondContact CA-O 3.4Å; F155-F227 HydrophobicContact CE1-CD1 4.11Å; F155-F227 AromaticContact CE1-CE1 3.7Å; F155-F227 HydrophobicContact CE1-CE1 3.7Å; F155-F227 AromaticContact CZ-CE1 3.96Å; F155-F227 HydrophobicContact CZ-CE1 3.96Å; F155-Y229 HydrophobicContact CE1-CD1 4.47Å; F155-Y229 AromaticContact CZ-CD1 3.88Å; F155-Y229 HydrophobicContact CZ-CD1 3.88Å; F155-Y229 HydrophobicContact CZ-CG 4.27Å
156	D	98.9	Very high	98.4	Very high	47 Å²	47	30 Å²	30	25%	0.251	15%	0.152	S	C	.	.	S	Bend	trans	-91.4	-29.9	176.4	-54.6	-71.2	0	0	0	111.5	K128 I133 S134	K128-D156 IonicContact NZ-OD1 3.76Å; K128-D156 PolarHBondContact NZ-OD1 3.16Å; I133-D156 WeakPolarHBondContact CA-OD2 3.37Å; I133-D156 HydrophobicContact CG2-CB 4.16Å; S134-D156 PolarHBondContact N-OD2 2.98Å; S134-D156 PolarHBondContact O-N 3.48Å
157	E	98.9	Very high	98.4	Very high	35 Å²	35	26.7 Å²	26.7	16%	0.164	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.5	179.4	-67.2	179.2	-140.9	0	0	111.9	S134 K135 I136 N182 R218	S134-E157 PolarHBondContact O-N 3.24Å; S134-E157 VanDerWaalsContact O-N 3.13Å; K135-E157 WeakPolarHBondContact CA-O 3.45Å; K135-E157 HydrophobicContact CB-CB 3.96Å; K135-E157 HydrophobicContact CD-CB 3.94Å; K135-E157 HydrophobicContact CG-CB 3.68Å; K135-E157 IonicContact NZ-OE2 3.74Å; I136-E157 PolarHBondContact N-O 2.9Å; E157-N182 VanDerWaalsContact CA-OD1 3.25Å; E157-N182 WeakPolarHBondContact CA-OD1 3.06Å; E157-R218 IonicContact OE1-CZ 2.58Å; E157-R218 IonicContact OE1-NH1 2.72Å; E157-R218 PolarHBondContact OE1-NH1 3.35Å; E157-R218 IonicContact OE1-NH2 2.82Å; E157-R218 IonicContact OE2-CZ 3.51Å; E157-R218 IonicContact OE2-NH1 3.44Å; E157-R218 PolarHBondContact OE2-NH1 3.12Å; E157-R218 IonicContact OE2-NH2 3.57Å; E157-R218 PolarHBondContact OE2-NH2 2.76Å
158	W	98.9	Very high	98.4	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	135.9	173	179.7	33	0	0	0	112.3	I136 G138 W140 L149 P150 L151 S161 P162 Y180 N181 N182	I136-W158 HydrophobicContact CG2-CB 3.71Å; I136-W158 HydrophobicContact CG2-CG 3.66Å; I136-W158 WeakPolarHBondContact O-CA 3.44Å; G138-W158 PolarHBondContact O-NE1 3.07Å; W140-W158 HydrophobicContact CB-CZ2 4.05Å; L149-W158 HydrophobicContact CD2-CH2 4.09Å; L149-W158 HydrophobicContact CD2-CZ3 3.94Å; P150-W158 HydrophobicContact CG-CB 4.12Å; P150-W158 HydrophobicContact CG-CD2 3.4Å; P150-W158 HydrophobicContact CG-CE3 3.49Å; P150-W158 VanDerWaalsContact CG-CE3 3.49Å; P150-W158 HydrophobicContact CG-CG 3.72Å; P150-W158 HydrophobicContact CG-CH2 4.37Å; P150-W158 HydrophobicContact CG-CZ2 4.29Å; P150-W158 HydrophobicContact CG-CZ3 4.01Å; L151-W158 HydrophobicContact CD1-CB 3.61Å; W158-S161 VanDerWaalsContact CZ2-C 3.43Å; W158-P162 HydrophobicContact CH2-CB 4.03Å; W158-P162 HydrophobicContact CH2-CG 4.32Å; W158-Y180 HydrophobicContact CE3-CD1 4.35Å; W158-Y180 AromaticContact CE3-CG 3.98Å; W158-Y180 HydrophobicContact CE3-CG 3.98Å; W158-Y180 AromaticContact CH2-CD2 3.64Å; W158-Y180 HydrophobicContact CH2-CD2 3.64Å; W158-Y180 HydrophobicContact CH2-CE2 4.23Å; W158-Y180 AromaticContact CH2-CG 3.81Å; W158-Y180 HydrophobicContact CH2-CG 3.81Å; W158-Y180 VanDerWaalsContact CZ3-CB 3.44Å; W158-Y180 AromaticContact CZ3-CD1 3.79Å; W158-Y180 HydrophobicContact CZ3-CD1 3.79Å; W158-Y180 AromaticContact CZ3-CD2 3.68Å; W158-Y180 HydrophobicContact CZ3-CD2 3.68Å; W158-Y180 HydrophobicContact CZ3-CE1 4.41Å; W158-Y180 HydrophobicContact CZ3-CE2 4.3Å; W158-Y180 AromaticContact CZ3-CG 3.36Å; W158-Y180 HydrophobicContact CZ3-CG 3.36Å; W158-N181 CarbonylContact O-C 3.56Å; W158-N181 WeakPolarHBondContact O-CA 3.47Å; W158-N182 PolarHBondContact N-OD1 2.86Å; W158-N182 PolarHBondContact O-N 3.05Å
159	F	98.9	Very high	98.3	Very high	13 Å²	13	27.8 Å²	27.8	6%	0.057	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.6	160.4	-177.9	-83.1	0	0	0	109.4	I136 V137 G138 V179 Y180 N181 I186 F193 M207 Y208 E211	I136-F159 PolarHBondContact O-N 2.94Å; I136-F159 VanDerWaalsContact O-N 3.11Å; V137-F159 CarbonylContact C-O 3.59Å; V137-F159 WeakPolarHBondContact CA-O 3.49Å; G138-F159 PolarHBondContact N-O 3.45Å; F159-V179 HydrophobicContact CZ-CG1 4.46Å; F159-Y180 WeakPolarHBondContact CA-O 3.37Å; F159-N181 HydrophobicContact CD2-CB 4.43Å; F159-I186 HydrophobicContact CD2-CD1 4.29Å; F159-I186 HydrophobicContact CE2-CD1 3.61Å; F159-I186 HydrophobicContact CZ-CD1 4.34Å; F159-F193 HydrophobicContact CZ-CE1 4.05Å; F159-F193 HydrophobicContact CZ-CZ 4.48Å; F159-M207 HydrophobicContact CE1-CB 4.15Å; F159-M207 HydrophobicContact CZ-CB 4.34Å; F159-Y208 AromaticContact CD1-CD1 3.87Å; F159-Y208 HydrophobicContact CD1-CD1 3.87Å; F159-Y208 AromaticContact CD1-CE1 3.93Å; F159-Y208 HydrophobicContact CD1-CE1 3.93Å; F159-Y208 AromaticContact CE1-CD1 3.94Å; F159-Y208 HydrophobicContact CE1-CD1 3.94Å; F159-Y208 AromaticContact CE1-CE1 3.87Å; F159-Y208 HydrophobicContact CE1-CE1 3.87Å; F159-E211 HydrophobicContact CB-CB 4.46Å; F159-E211 HydrophobicContact CB-CG 3.85Å; F159-E211 HydrophobicContact CD1-CG 3.74Å; F159-E211 HydrophobicContact CD2-CG 4.03Å; F159-E211 HydrophobicContact CE1-CG 4.26Å; F159-E211 HydrophobicContact CG-CG 3.61Å
160	G	98.8	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.6	-156.5	180	0	0	0	0	0	114.2	G138 V179 Y180	G138-G160 WeakPolarHBondContact O-CA 3.49Å; G160-V179 CarbonylContact O-C 3.55Å; G160-V179 WeakPolarHBondContact O-CA 3.36Å; G160-Y180 PolarHBondContact N-O 2.76Å; G160-Y180 VanDerWaalsContact N-O 3.1Å; G160-Y180 PolarHBondContact O-N 2.89Å
161	S	98.9	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.5	-170.8	166.5	0	0	0	0	112.1	G138 W140 W158 N163 I177 P178 Y189	G138-S161 PolarHBondContact O-N 2.73Å; W140-S161 PolarHBondContact N-O 2.64Å; W158-S161 VanDerWaalsContact CZ2-C 3.43Å; S161-N163 VanDerWaalsContact C-N 3.27Å; S161-N163 WeakPolarHBondContact CB-O 3.48Å; S161-N163 PolarHBondContact O-N 3.27Å; S161-N163 PolarHBondContact OG-N 2.96Å; S161-N163 PolarHBondContact OG-O 2.76Å; S161-I177 WeakPolarHBondContact OG-CG2 3.17Å; S161-P178 PolarHBondContact OG-O 2.78Å; S161-Y189 WeakPolarHBondContact CB-OH 3.21Å
162	P	98.7	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-70.6	-24.5	175.7	29	-32.7	0	0	0	113.1	H141 H144 L149 W158 P178 Y180	H141-P162 VanDerWaalsContact CA-O 3.29Å; H141-P162 WeakPolarHBondContact CA-O 3.44Å; H141-P162 PolarHBondContact N-O 3.08Å; H144-P162 HydrophobicContact CB-CB 3.57Å; H144-P162 HydrophobicContact CB-CG 3.84Å; L149-P162 HydrophobicContact CD2-CB 4.36Å; W158-P162 HydrophobicContact CH2-CB 4.03Å; W158-P162 HydrophobicContact CH2-CG 4.32Å; P162-P178 WeakPolarHBondContact CD-O 3.5Å; P162-P178 HydrophobicContact CG-CG 4.29Å; P162-Y180 HydrophobicContact CG-CD2 4.47Å; P162-Y180 HydrophobicContact CG-CE2 4.02Å
163	N	98.8	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-122.8	-176.5	-178.1	-53.1	104.5	0	0	0	110.9	T108 H144 S161 I177 N497	T108-N163 PolarHBondContact O-ND2 2.79Å; H144-N163 WeakPolarHBondContact CB-OD1 3.36Å; S161-N163 VanDerWaalsContact C-N 3.27Å; S161-N163 WeakPolarHBondContact CB-O 3.48Å; S161-N163 PolarHBondContact O-N 3.27Å; S161-N163 PolarHBondContact OG-N 2.96Å; S161-N163 PolarHBondContact OG-O 2.76Å; N163-I177 HydrophobicContact CB-CD1 4.18Å; N163-I177 HydrophobicContact CB-CG2 3.96Å; N163-N497 PolarHBondContact OD1-ND2 2.69Å
164	C	98.1	Very high	97.3	Very high	22 Å²	22	37.6 Å²	37.6	15%	0.149	21%	0.211	C	C	.	.			trans	-62.6	177.9	171.9	66.6	0	0	0	0	113	I177	C164-I177 WeakPolarHBondContact O-CD1 3.29Å; C164-I177 WeakPolarHBondContact O-CG2 3.21Å
165	H	98.6	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.			trans	-104.9	27.1	178.5	59.4	-97	0	0	0	113.5	Y189 F190 I195 D233 H236 P238 Y240	H165-Y189 HydrophobicContact CB-CD1 4.44Å; H165-Y189 HydrophobicContact CB-CD2 3.74Å; H165-Y189 HydrophobicContact CB-CE1 4.27Å; H165-Y189 HydrophobicContact CB-CE2 3.51Å; H165-Y189 HydrophobicContact CB-CG 4.21Å; H165-F190 VanDerWaalsContact O-CE2 3.23Å; H165-F190 WeakPolarHBondContact O-CE2 3.34Å; H165-F190 WeakPolarHBondContact O-CZ 3.22Å; H165-I195 HydrophobicContact CB-CD1 3.81Å; H165-D233 PolarHBondContact CE1-O 2.91Å; H165-D233 IonicContact CE1-OD2 2.99Å; H165-D233 IonicContact CG-OD2 3.83Å; H165-D233 VanDerWaalsContact ND1-CG 3.26Å; H165-D233 IonicContact ND1-OD1 3.19Å; H165-D233 IonicContact ND1-OD2 3.28Å; H165-D233 PolarHBondContact ND1-OD2 3.49Å; H165-H236 PolarHBondContact CE1-O 3.05Å; H165-H236 PolarHBondContact NE2-O 3.4Å; H165-H236 VanDerWaalsContact NE2-O 3.12Å; H165-P238 PolarHBondContact NE2-O 3.26Å; H165-P238 VanDerWaalsContact NE2-O 3.14Å; H165-Y240 AromaticContact CD2-CE1 3.97Å; H165-Y240 AromaticContact CE1-CE1 3.75Å; H165-Y240 AromaticContact CG-CE1 3.93Å; H165-Y240 AromaticContact ND1-CE1 3.79Å; H165-Y240 AromaticContact NE2-CD1 3.95Å; H165-Y240 AromaticContact NE2-CE1 3.89Å
166	F	98.1	Very high	97.2	Very high	105 Å²	105	37.4 Å²	37.4	46%	0.461	21%	0.208	S	C	.	.			trans	-71.2	147.8	178.8	-157.1	-86.1	0	0	0	112.2	Y169	F166-Y169 AromaticContact CD1-CE1 3.98Å; F166-Y169 HydrophobicContact CD1-CE1 3.98Å; F166-Y169 AromaticContact CD1-CZ 3.92Å; F166-Y169 WeakPolarHBondContact CD1-OH 3.45Å; F166-Y169 WeakPolarHBondContact O-CE2 3.39Å
167	G	96.1	Very high	97.2	Very high	9 Å²	9	35.2 Å²	35.2	9%	0.093	20%	0.196	C	C	.	.			trans	158.3	-161.2	-178.6	0	0	0	0	0	111.4	F190 L197	G167-F190 VanDerWaalsContact C-CZ 3.48Å; G167-L197 WeakPolarHBondContact O-CD1 3.35Å
168	P	97.4	Very high	97.2	Very high	82 Å²	82	33.6 Å²	33.6	53%	0.532	19%	0.189	S	C	.	.			cis	-69.1	144.5	-8.4	29.9	-34.6	0	0	0	111.4	F190	P168-F190 HydrophobicContact CB-CB 3.81Å; P168-F190 HydrophobicContact CB-CD1 4.09Å; P168-F190 HydrophobicContact CB-CD2 4.37Å; P168-F190 HydrophobicContact CB-CG 3.82Å; P168-F190 HydrophobicContact CG-CD1 4.42Å
169	Y	97.6	Very high	97.2	Very high	55 Å²	55	33.5 Å²	33.5	22%	0.216	19%	0.188	C	C	.	.			trans	-98.6	152.5	175.5	-61.8	-58.3	0	0	0	112.6	F166 S171 R174 P175 N176 I177	F166-Y169 AromaticContact CD1-CE1 3.98Å; F166-Y169 HydrophobicContact CD1-CE1 3.98Å; F166-Y169 AromaticContact CD1-CZ 3.92Å; F166-Y169 WeakPolarHBondContact CD1-OH 3.45Å; F166-Y169 WeakPolarHBondContact O-CE2 3.39Å; Y169-S171 PolarHBondContact O-N 2.94Å; Y169-R174 WeakPolarHBondContact CB-O 3.48Å; Y169-R174 HydrophobicContact CD1-CB 4.39Å; Y169-R174 HydrophobicContact CD1-CG 4.21Å; Y169-R174 HydrophobicContact CD2-CG 3.9Å; Y169-R174 VanDerWaalsContact CE1-CD 3.44Å; Y169-R174 HydrophobicContact CE1-CG 4.49Å; Y169-R174 HydrophobicContact CE2-CG 4.19Å; Y169-R174 HydrophobicContact CG-CB 4.17Å; Y169-R174 HydrophobicContact CG-CG 3.89Å; Y169-R174 VanDerWaalsContact CZ-CD 3.42Å; Y169-P175 WeakPolarHBondContact CD2-O 3.32Å; Y169-N176 PolarHBondContact N-OD1 3.38Å; Y169-I177 HydrophobicContact CE2-CD1 4.04Å; Y169-I177 HydrophobicContact CE2-CG1 4.19Å
170	N	94.5	Very high	97.2	Very high	105 Å²	105	33 Å²	33	56%	0.561	19%	0.186	S	C	*	.			trans	-74.1	109.8	163.7	-179.3	-20.3	0	0	0	108.8	S172 V173 R174	N170-S172 PolarHBondContact O-N 2.84Å; N170-S172 WeakPolarHBondContact OD1-CB 3.49Å; N170-S172 PolarHBondContact OD1-N 3.05Å; N170-V173 PolarHBondContact O-N 3.45Å; N170-R174 CarbonylContact C-O 3.54Å; N170-R174 VanDerWaalsContact C-O 3.32Å; N170-R174 PolarHBondContact O-N 3.42Å
171	S	91.6	Very high	97.2	Very high	36 Å²	36	36.3 Å²	36.3	25%	0.252	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-2.8	-176.9	-68.1	0	0	0	0	115.4	Y169 R174 W498	Y169-S171 PolarHBondContact O-N 2.94Å; S171-R174 WeakPolarHBondContact CA-O 3.41Å; S171-W498 WeakPolarHBondContact O-CZ3 3.09Å
172	S	91.3	Very high	97.2	Very high	104 Å²	104	39 Å²	39	73%	0.727	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-15.9	168.9	-54.3	0	0	0	0	113.4	N170	N170-S172 PolarHBondContact O-N 2.84Å; N170-S172 WeakPolarHBondContact OD1-CB 3.49Å; N170-S172 PolarHBondContact OD1-N 3.05Å
173	V	93.4	Very high	97.1	Very high	104 Å²	104	42.3 Å²	42.3	63%	0.63	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	-44.5	-177	179.6	0	0	0	0	111.2	N170 W498	N170-V173 PolarHBondContact O-N 3.45Å; V173-W498 WeakPolarHBondContact O-CH2 3.1Å
174	R	97.7	Very high	97	Very high	55 Å²	55	46 Å²	46	21%	0.208	26%	0.259	C	S	.	.	S	Bend	trans	-146.4	131.5	176.1	177.8	-179.8	-73.2	-104.8	4.7	108.4	E111 Y169 N170 S171 M496	E111-R174 IonicContact OE1-CZ 2.9Å; E111-R174 IonicContact OE1-NH1 3.4Å; E111-R174 IonicContact OE1-NH2 2.83Å; E111-R174 PolarHBondContact OE1-NH2 3.49Å; E111-R174 IonicContact OE2-CZ 3.58Å; E111-R174 VanDerWaalsContact OE2-CZ 3.27Å; E111-R174 IonicContact OE2-NH1 3.85Å; E111-R174 PolarHBondContact OE2-NH1 3.39Å; E111-R174 IonicContact OE2-NH2 2.89Å; E111-R174 PolarHBondContact OE2-NH2 2.99Å; Y169-R174 WeakPolarHBondContact CB-O 3.48Å; Y169-R174 HydrophobicContact CD1-CB 4.39Å; Y169-R174 HydrophobicContact CD1-CG 4.21Å; Y169-R174 HydrophobicContact CD2-CG 3.9Å; Y169-R174 VanDerWaalsContact CE1-CD 3.44Å; Y169-R174 HydrophobicContact CE1-CG 4.49Å; Y169-R174 HydrophobicContact CE2-CG 4.19Å; Y169-R174 HydrophobicContact CG-CB 4.17Å; Y169-R174 HydrophobicContact CG-CG 3.89Å; Y169-R174 VanDerWaalsContact CZ-CD 3.42Å; N170-R174 CarbonylContact C-O 3.54Å; N170-R174 VanDerWaalsContact C-O 3.32Å; N170-R174 PolarHBondContact O-N 3.42Å; S171-R174 WeakPolarHBondContact CA-O 3.41Å; R174-M496 HydrophobicContact CB-SD 4.27Å; R174-M496 HydrophobicContact CG-SD 3.91Å
175	P	98.2	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-71	146.7	177.8	29.6	-33.9	0	0	0	110.8	Q110 Y169 M496 N497 W498 L510	Q110-P175 PolarHBondContact NE2-O 3.27Å; Q110-P175 PolarHBondContact OE1-O 3.02Å; Y169-P175 WeakPolarHBondContact CD2-O 3.32Å; P175-M496 HydrophobicContact CG-CB 3.92Å; P175-N497 WeakPolarHBondContact CB-O 3.4Å; P175-N497 HydrophobicContact CG-CB 4.21Å; P175-W498 HydrophobicContact CB-CE3 4.28Å; P175-W498 HydrophobicContact CG-CD2 4.12Å; P175-W498 HydrophobicContact CG-CE3 4.24Å; P175-W498 HydrophobicContact CG-CG 4.49Å; P175-L510 HydrophobicContact CB-CD1 3.76Å
176	N	98.6	Very high	97	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.059	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-59.4	144	163.4	-75.7	-39.1	0	0	0	109.9	Y169 R188 Y189 E191	Y169-N176 PolarHBondContact N-OD1 3.38Å; N176-R188 HydrophobicContact CB-CB 3.84Å; N176-R188 HydrophobicContact CB-CG 4.48Å; N176-R188 WeakPolarHBondContact O-CD 3.44Å; N176-R188 PolarHBondContact O-NH1 2.88Å; N176-Y189 WeakPolarHBondContact CB-O 3.44Å; N176-E191 WeakPolarHBondContact CB-OE1 3.43Å; N176-E191 PolarHBondContact ND2-OE1 3.14Å
177	I	98.8	Very high	97.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-74.8	131.9	-171.1	-65.8	166.2	0	0	0	109.8	Q110 S161 N163 C164 Y169 R188 Y189	Q110-I177 VanDerWaalsContact CD-CG1 3.44Å; Q110-I177 HydrophobicContact CG-CD1 4.33Å; Q110-I177 HydrophobicContact CG-CG1 4.01Å; S161-I177 WeakPolarHBondContact OG-CG2 3.17Å; N163-I177 HydrophobicContact CB-CD1 4.18Å; N163-I177 HydrophobicContact CB-CG2 3.96Å; C164-I177 WeakPolarHBondContact O-CD1 3.29Å; C164-I177 WeakPolarHBondContact O-CG2 3.21Å; Y169-I177 HydrophobicContact CE2-CD1 4.04Å; Y169-I177 HydrophobicContact CE2-CG1 4.19Å; I177-R188 CarbonylContact O-C 3.5Å; I177-R188 VanDerWaalsContact O-CA 3.25Å; I177-R188 WeakPolarHBondContact O-CA 3.32Å; I177-R188 WeakPolarHBondContact O-CB 3.19Å; I177-Y189 HydrophobicContact CB-CD2 3.92Å; I177-Y189 HydrophobicContact CG2-CD2 3.99Å; I177-Y189 HydrophobicContact CG2-CE2 4.13Å; I177-Y189 PolarHBondContact O-N 3.28Å
178	P	98.8	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149.1	-177.4	31.7	-37.1	0	0	0	112.9	S161 P162 Y180 M185 G187 N497 P500	S161-P178 PolarHBondContact OG-O 2.78Å; P162-P178 WeakPolarHBondContact CD-O 3.5Å; P162-P178 HydrophobicContact CG-CG 4.29Å; P178-Y180 HydrophobicContact CB-CD2 4.34Å; P178-Y180 HydrophobicContact CB-CE2 3.95Å; P178-Y180 HydrophobicContact CG-CD2 4.41Å; P178-Y180 HydrophobicContact CG-CE2 3.71Å; P178-M185 HydrophobicContact CB-CB 4.04Å; P178-M185 HydrophobicContact CB-CE 4.08Å; P178-M185 HydrophobicContact CB-SD 4.44Å; P178-G187 CarbonylContact C-O 3.56Å; P178-G187 WeakPolarHBondContact CA-O 3.49Å; P178-N497 VanDerWaalsContact CD-CB 3.49Å; P178-N497 VanDerWaalsContact CD-CG 3.47Å; P178-N497 HydrophobicContact CG-CB 3.86Å; P178-P500 HydrophobicContact CB-CB 4.45Å; P178-P500 HydrophobicContact CB-CG 4.07Å; P178-P500 HydrophobicContact CG-CB 4.44Å; P178-P500 HydrophobicContact CG-CG 3.98Å
179	V	98.9	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.8	165.1	-179.6	0	0	0	0	108	F159 G160 M185 I186 G187 Y189 F193	F159-V179 HydrophobicContact CZ-CG1 4.46Å; G160-V179 CarbonylContact O-C 3.55Å; G160-V179 WeakPolarHBondContact O-CA 3.36Å; V179-M185 CarbonylContact O-C 3.54Å; V179-M185 WeakPolarHBondContact O-CA 3.29Å; V179-I186 HydrophobicContact CG1-CG1 4.45Å; V179-I186 WeakPolarHBondContact O-CG1 3.4Å; V179-I186 PolarHBondContact O-N 3.31Å; V179-G187 PolarHBondContact N-O 3.47Å; V179-Y189 HydrophobicContact CG2-CD1 3.8Å; V179-Y189 HydrophobicContact CG2-CE1 3.46Å; V179-Y189 VanDerWaalsContact CG2-CE1 3.46Å; V179-Y189 HydrophobicContact CG2-CE2 4.27Å; V179-Y189 HydrophobicContact CG2-CG 4.32Å; V179-F193 HydrophobicContact CB-CD2 3.7Å; V179-F193 HydrophobicContact CB-CE1 4.44Å; V179-F193 HydrophobicContact CB-CE2 3.54Å; V179-F193 HydrophobicContact CB-CG 4.24Å; V179-F193 HydrophobicContact CB-CZ 3.94Å; V179-F193 HydrophobicContact CG1-CD1 4.42Å; V179-F193 HydrophobicContact CG1-CD2 4.3Å; V179-F193 HydrophobicContact CG1-CE1 4Å; V179-F193 HydrophobicContact CG1-CE2 3.89Å; V179-F193 HydrophobicContact CG1-CZ 3.73Å; V179-F193 HydrophobicContact CG2-CB 4.28Å; V179-F193 HydrophobicContact CG2-CD1 4.3Å; V179-F193 HydrophobicContact CG2-CD2 3.58Å; V179-F193 HydrophobicContact CG2-CE2 3.99Å; V179-F193 HydrophobicContact CG2-CG 3.78Å; V179-F193 HydrophobicContact CG2-CZ 4.49Å
180	Y	98.9	Very high	97.3	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.6	-176.9	-78.2	-103.9	0	0	0	111.9	L149 W158 F159 G160 P162 P178 E184 P500	L149-Y180 HydrophobicContact CD1-CE1 4.09Å; W158-Y180 HydrophobicContact CE3-CD1 4.35Å; W158-Y180 AromaticContact CE3-CG 3.98Å; W158-Y180 HydrophobicContact CE3-CG 3.98Å; W158-Y180 AromaticContact CH2-CD2 3.64Å; W158-Y180 HydrophobicContact CH2-CD2 3.64Å; W158-Y180 HydrophobicContact CH2-CE2 4.23Å; W158-Y180 AromaticContact CH2-CG 3.81Å; W158-Y180 HydrophobicContact CH2-CG 3.81Å; W158-Y180 VanDerWaalsContact CZ3-CB 3.44Å; W158-Y180 AromaticContact CZ3-CD1 3.79Å; W158-Y180 HydrophobicContact CZ3-CD1 3.79Å; W158-Y180 AromaticContact CZ3-CD2 3.68Å; W158-Y180 HydrophobicContact CZ3-CD2 3.68Å; W158-Y180 HydrophobicContact CZ3-CE1 4.41Å; W158-Y180 HydrophobicContact CZ3-CE2 4.3Å; W158-Y180 AromaticContact CZ3-CG 3.36Å; W158-Y180 HydrophobicContact CZ3-CG 3.36Å; F159-Y180 WeakPolarHBondContact CA-O 3.37Å; G160-Y180 PolarHBondContact N-O 2.76Å; G160-Y180 VanDerWaalsContact N-O 3.1Å; G160-Y180 PolarHBondContact O-N 2.89Å; P162-Y180 HydrophobicContact CG-CD2 4.47Å; P162-Y180 HydrophobicContact CG-CE2 4.02Å; P178-Y180 HydrophobicContact CB-CD2 4.34Å; P178-Y180 HydrophobicContact CB-CE2 3.95Å; P178-Y180 HydrophobicContact CG-CD2 4.41Å; P178-Y180 HydrophobicContact CG-CE2 3.71Å; Y180-E184 WeakPolarHBondContact CA-O 3.49Å; Y180-E184 WeakPolarHBondContact CD1-O 3.29Å; Y180-P500 WeakPolarHBondContact OH-CB 3.12Å
181	N	98.6	Very high	97.5	Very high	70 Å²	70	34.9 Å²	34.9	37%	0.374	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108	155.7	-175.7	-8.3	0	0	0	106.8	W158 F159 S183 E184 I186	W158-N181 CarbonylContact O-C 3.56Å; W158-N181 WeakPolarHBondContact O-CA 3.47Å; F159-N181 HydrophobicContact CD2-CB 4.43Å; N181-S183 PolarHBondContact O-N 3.45Å; N181-E184 PolarHBondContact N-O 2.88Å; N181-E184 PolarHBondContact O-N 2.99Å; N181-I186 HydrophobicContact CB-CD1 4.03Å; N181-I186 HydrophobicContact CB-CG1 4.35Å; N181-I186 HydrophobicContact CB-CG2 3.62Å
182	N	98.3	Very high	97.8	Very high	56 Å²	56	36.9 Å²	36.9	30%	0.299	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-126	-169	-59.3	-35.8	0	0	0	111.4	L151 E157 W158 E184	L151-N182 HydrophobicContact CD2-CB 3.84Å; E157-N182 VanDerWaalsContact CA-OD1 3.25Å; E157-N182 WeakPolarHBondContact CA-OD1 3.06Å; W158-N182 PolarHBondContact N-OD1 2.86Å; W158-N182 PolarHBondContact O-N 3.05Å; N182-E184 VanDerWaalsContact C-N 3.32Å; N182-E184 PolarHBondContact O-N 2.92Å
183	S	96	Very high	98.1	Very high	69 Å²	69	32.9 Å²	32.9	48%	0.483	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.1	-171.5	-48.7	0	0	0	0	114.5	L151 N181 P501	L151-S183 WeakPolarHBondContact CD2-OG 3.41Å; N181-S183 PolarHBondContact O-N 3.45Å; S183-P501 WeakPolarHBondContact O-CB 3.36Å
184	E	98.1	Very high	98.4	Very high	79 Å²	79	34.4 Å²	34.4	37%	0.369	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.8	-175.3	-66.8	-172	169.8	0	0	111.8	Y180 N181 N182 P501 K505	Y180-E184 WeakPolarHBondContact CA-O 3.49Å; Y180-E184 WeakPolarHBondContact CD1-O 3.29Å; N181-E184 PolarHBondContact N-O 2.88Å; N181-E184 PolarHBondContact O-N 2.99Å; N182-E184 VanDerWaalsContact C-N 3.32Å; N182-E184 PolarHBondContact O-N 2.92Å; E184-P501 CarbonylContact C-O 3.59Å; E184-P501 WeakPolarHBondContact CA-O 3.26Å; E184-K505 IonicContact OE1-NZ 2.68Å; E184-K505 PolarHBondContact OE1-NZ 3.23Å; E184-K505 IonicContact OE2-NZ 3.58Å; E184-K505 PolarHBondContact OE2-NZ 3.47Å
185	M	98.4	Very high	98.4	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.02	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	140	168.9	73.7	170.7	-66.7	0	0	110	P178 V179 G187 R188 P500 P501 C503 L506 K508	P178-M185 HydrophobicContact CB-CB 4.04Å; P178-M185 HydrophobicContact CB-CE 4.08Å; P178-M185 HydrophobicContact CB-SD 4.44Å; V179-M185 CarbonylContact O-C 3.54Å; V179-M185 WeakPolarHBondContact O-CA 3.29Å; M185-G187 VanDerWaalsContact CE-O 3.32Å; M185-G187 WeakPolarHBondContact CE-O 3.33Å; M185-R188 HydrophobicContact CE-CG 3.55Å; M185-P500 HydrophobicContact CB-CB 4.26Å; M185-P500 HydrophobicContact CG-CB 4.18Å; M185-P500 HydrophobicContact SD-CB 3.72Å; M185-P500 HydrophobicContact SD-CG 3.68Å; M185-P501 WeakPolarHBondContact CG-O 3.47Å; M185-P501 PolarHBondContact N-O 3.17Å; M185-C503 HydrophobicContact CG-CB 4.48Å; M185-C503 HydrophobicContact SD-CB 3.61Å; M185-L506 HydrophobicContact CE-CD1 4.38Å; M185-L506 HydrophobicContact CG-CD1 4.14Å; M185-L506 WeakPolarHBondContact O-CD1 3.47Å; M185-K508 HydrophobicContact CE-CD 4.47Å
186	I	98.6	Very high	98.4	Very high	65 Å²	65	35.5 Å²	35.5	33%	0.333	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-5	174.5	56.6	165.6	0	0	0	112.6	F159 V179 N181 F193	F159-I186 HydrophobicContact CD2-CD1 4.29Å; F159-I186 HydrophobicContact CE2-CD1 3.61Å; F159-I186 HydrophobicContact CZ-CD1 4.34Å; V179-I186 HydrophobicContact CG1-CG1 4.45Å; V179-I186 WeakPolarHBondContact O-CG1 3.4Å; V179-I186 PolarHBondContact O-N 3.31Å; N181-I186 HydrophobicContact CB-CD1 4.03Å; N181-I186 HydrophobicContact CB-CG1 4.35Å; N181-I186 HydrophobicContact CB-CG2 3.62Å; I186-F193 HydrophobicContact CD1-CE2 4.29Å; I186-F193 HydrophobicContact CD1-CZ 3.58Å; I186-F193 HydrophobicContact CG1-CE2 4.03Å; I186-F193 HydrophobicContact CG1-CZ 3.83Å
187	G	98.6	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-170.1	176.6	0	0	0	0	0	111.9	P178 V179 M185 D192	P178-G187 CarbonylContact C-O 3.56Å; P178-G187 WeakPolarHBondContact CA-O 3.49Å; V179-G187 PolarHBondContact N-O 3.47Å; M185-G187 VanDerWaalsContact CE-O 3.32Å; M185-G187 WeakPolarHBondContact CE-O 3.33Å; G187-D192 WeakPolarHBondContact CA-OD2 3.39Å
188	R	98.8	Very high	98.2	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.2	176.4	-57.2	177.3	-179.2	-86.5	5.2	111.6	N176 I177 M185 E191 D192 F193 N497 W498 P500 K508	N176-R188 HydrophobicContact CB-CB 3.84Å; N176-R188 HydrophobicContact CB-CG 4.48Å; N176-R188 WeakPolarHBondContact O-CD 3.44Å; N176-R188 PolarHBondContact O-NH1 2.88Å; I177-R188 CarbonylContact O-C 3.5Å; I177-R188 VanDerWaalsContact O-CA 3.25Å; I177-R188 WeakPolarHBondContact O-CA 3.32Å; I177-R188 WeakPolarHBondContact O-CB 3.19Å; M185-R188 HydrophobicContact CE-CG 3.55Å; R188-E191 HydrophobicContact CB-CB 4.24Å; R188-E191 HydrophobicContact CB-CG 4.39Å; R188-E191 WeakPolarHBondContact CD-OE1 3.5Å; R188-E191 PolarHBondContact O-N 3.11Å; R188-D192 PolarHBondContact N-OD2 2.66Å; R188-D192 PolarHBondContact O-N 3.03Å; R188-F193 PolarHBondContact O-N 2.74Å; R188-F193 VanDerWaalsContact O-N 3.08Å; R188-N497 PolarHBondContact NH1-O 2.94Å; R188-N497 PolarHBondContact NH2-O 3.27Å; R188-W498 PolarHBondContact NH2-O 3.18Å; R188-W498 VanDerWaalsContact NH2-O 3.12Å; R188-P500 VanDerWaalsContact NH2-CD 3.32Å; R188-K508 PolarHBondContact NH2-O 3.49Å
189	Y	98.8	Very high	98.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-58.2	148.9	167.3	-66.9	-49.9	0	0	0	111.2	S161 H165 N176 I177 V179 E191 F193 I195 L204 Y208	S161-Y189 WeakPolarHBondContact CB-OH 3.21Å; H165-Y189 HydrophobicContact CB-CD1 4.44Å; H165-Y189 HydrophobicContact CB-CD2 3.74Å; H165-Y189 HydrophobicContact CB-CE1 4.27Å; H165-Y189 HydrophobicContact CB-CE2 3.51Å; H165-Y189 HydrophobicContact CB-CG 4.21Å; N176-Y189 WeakPolarHBondContact CB-O 3.44Å; I177-Y189 HydrophobicContact CB-CD2 3.92Å; I177-Y189 HydrophobicContact CG2-CD2 3.99Å; I177-Y189 HydrophobicContact CG2-CE2 4.13Å; I177-Y189 PolarHBondContact O-N 3.28Å; V179-Y189 HydrophobicContact CG2-CD1 3.8Å; V179-Y189 HydrophobicContact CG2-CE1 3.46Å; V179-Y189 VanDerWaalsContact CG2-CE1 3.46Å; V179-Y189 HydrophobicContact CG2-CE2 4.27Å; V179-Y189 HydrophobicContact CG2-CG 4.32Å; Y189-E191 PolarHBondContact O-N 2.87Å; Y189-F193 CarbonylContact C-O 3.49Å; Y189-F193 WeakPolarHBondContact CA-O 3.4Å; Y189-F193 HydrophobicContact CD1-CB 3.76Å; Y189-F193 HydrophobicContact CE1-CB 4.31Å; Y189-I195 HydrophobicContact CD1-CD1 4.06Å; Y189-I195 HydrophobicContact CG-CD1 4.36Å; Y189-L204 HydrophobicContact CD1-CD1 3.92Å; Y189-L204 HydrophobicContact CE1-CD1 3.47Å; Y189-L204 VanDerWaalsContact CE1-CD1 3.47Å; Y189-L204 HydrophobicContact CE1-CD2 3.76Å; Y189-L204 HydrophobicContact CE1-CG 4.27Å; Y189-Y208 PolarHBondContact OH-OH 2.86Å
190	F	98.4	Very high	98.1	Very high	25 Å²	25	52 Å²	52	11%	0.11	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-10.4	-174.4	-52.9	-85.2	0	0	0	115.5	H165 G167 P168 F193 K194 I195 L197	H165-F190 VanDerWaalsContact O-CE2 3.23Å; H165-F190 WeakPolarHBondContact O-CE2 3.34Å; H165-F190 WeakPolarHBondContact O-CZ 3.22Å; G167-F190 VanDerWaalsContact C-CZ 3.48Å; P168-F190 HydrophobicContact CB-CB 3.81Å; P168-F190 HydrophobicContact CB-CD1 4.09Å; P168-F190 HydrophobicContact CB-CD2 4.37Å; P168-F190 HydrophobicContact CB-CG 3.82Å; P168-F190 HydrophobicContact CG-CD1 4.42Å; F190-F193 PolarHBondContact N-O 2.76Å; F190-K194 PolarHBondContact O-NZ 3.01Å; F190-I195 HydrophobicContact CD1-CB 4.17Å; F190-I195 VanDerWaalsContact CD1-O 3.32Å; F190-I195 WeakPolarHBondContact CD1-O 3.45Å; F190-I195 HydrophobicContact CE1-CB 3.68Å; F190-I195 HydrophobicContact CE1-CG2 4.09Å; F190-I195 WeakPolarHBondContact CE1-O 3.4Å; F190-I195 HydrophobicContact CE2-CD1 4.38Å; F190-I195 HydrophobicContact CZ-CB 4.04Å; F190-I195 HydrophobicContact CZ-CD1 4.15Å; F190-I195 HydrophobicContact CZ-CG2 4.33Å; F190-L197 HydrophobicContact CE1-CD1 4.34Å; F190-L197 HydrophobicContact CE1-CD2 3.75Å; F190-L197 HydrophobicContact CE1-CG 3.92Å; F190-L197 HydrophobicContact CZ-CD2 4.11Å
191	E	98.1	Very high	98.1	Very high	49 Å²	49	55 Å²	55	23%	0.229	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-86.2	172.4	-67.7	172.9	-148.7	0	0	110.3	N176 R188 Y189 K194 K508	N176-E191 WeakPolarHBondContact CB-OE1 3.43Å; N176-E191 PolarHBondContact ND2-OE1 3.14Å; R188-E191 HydrophobicContact CB-CB 4.24Å; R188-E191 HydrophobicContact CB-CG 4.39Å; R188-E191 WeakPolarHBondContact CD-OE1 3.5Å; R188-E191 PolarHBondContact O-N 3.11Å; Y189-E191 PolarHBondContact O-N 2.87Å; E191-K194 VanDerWaalsContact O-CD 3.3Å; E191-K194 WeakPolarHBondContact O-CD 3.42Å; E191-K194 WeakPolarHBondContact O-CE 3.4Å; E191-K194 PolarHBondContact O-NZ 2.76Å; E191-K508 IonicContact OE2-NZ 3.52Å; E191-K508 PolarHBondContact OE2-NZ 2.83Å
192	D	98.4	Very high	98.1	Very high	79 Å²	79	52 Å²	52	42%	0.422	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-31.4	-175.9	-41.3	-75.8	0	0	0	110.3	G187 R188 K508	G187-D192 WeakPolarHBondContact CA-OD2 3.39Å; R188-D192 PolarHBondContact N-OD2 2.66Å; R188-D192 PolarHBondContact O-N 3.03Å; D192-K508 VanDerWaalsContact CG-NZ 3.26Å; D192-K508 WeakPolarHBondContact OD1-CE 3.17Å; D192-K508 IonicContact OD1-NZ 3.07Å; D192-K508 PolarHBondContact OD1-NZ 3.45Å; D192-K508 WeakPolarHBondContact OD2-CE 3.38Å; D192-K508 IonicContact OD2-NZ 3.55Å; D192-K508 PolarHBondContact OD2-NZ 2.8Å
193	F	98.6	Very high	98.1	Very high	19 Å²	19	52.9 Å²	52.9	8%	0.083	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-104.6	89.9	175.2	-64.3	-89.6	0	0	0	109.4	F159 V179 I186 R188 Y189 F190 L204 M207	F159-F193 HydrophobicContact CZ-CE1 4.05Å; F159-F193 HydrophobicContact CZ-CZ 4.48Å; V179-F193 HydrophobicContact CB-CD2 3.7Å; V179-F193 HydrophobicContact CB-CE1 4.44Å; V179-F193 HydrophobicContact CB-CE2 3.54Å; V179-F193 HydrophobicContact CB-CG 4.24Å; V179-F193 HydrophobicContact CB-CZ 3.94Å; V179-F193 HydrophobicContact CG1-CD1 4.42Å; V179-F193 HydrophobicContact CG1-CD2 4.3Å; V179-F193 HydrophobicContact CG1-CE1 4Å; V179-F193 HydrophobicContact CG1-CE2 3.89Å; V179-F193 HydrophobicContact CG1-CZ 3.73Å; V179-F193 HydrophobicContact CG2-CB 4.28Å; V179-F193 HydrophobicContact CG2-CD1 4.3Å; V179-F193 HydrophobicContact CG2-CD2 3.58Å; V179-F193 HydrophobicContact CG2-CE2 3.99Å; V179-F193 HydrophobicContact CG2-CG 3.78Å; V179-F193 HydrophobicContact CG2-CZ 4.49Å; I186-F193 HydrophobicContact CD1-CE2 4.29Å; I186-F193 HydrophobicContact CD1-CZ 3.58Å; I186-F193 HydrophobicContact CG1-CE2 4.03Å; I186-F193 HydrophobicContact CG1-CZ 3.83Å; R188-F193 PolarHBondContact O-N 2.74Å; R188-F193 VanDerWaalsContact O-N 3.08Å; Y189-F193 CarbonylContact C-O 3.49Å; Y189-F193 WeakPolarHBondContact CA-O 3.4Å; Y189-F193 HydrophobicContact CD1-CB 3.76Å; Y189-F193 HydrophobicContact CE1-CB 4.31Å; F190-F193 PolarHBondContact N-O 2.76Å; F193-L204 HydrophobicContact CB-CD2 4.24Å; F193-L204 HydrophobicContact CD1-CD2 3.74Å; F193-L204 HydrophobicContact CG-CD2 4.35Å; F193-M207 HydrophobicContact CD1-SD 3.92Å; F193-M207 HydrophobicContact CE1-SD 3.81Å
194	K	98.4	Very high	98.2	Very high	136 Å²	136	49.7 Å²	49.7	59%	0.591	24%	0.236	S	C	*	.			trans	-69.1	133.4	-175.1	-63	-57.3	-170.1	-163.7	0	112	F190 E191 S202	F190-K194 PolarHBondContact O-NZ 3.01Å; E191-K194 VanDerWaalsContact O-CD 3.3Å; E191-K194 WeakPolarHBondContact O-CD 3.42Å; E191-K194 WeakPolarHBondContact O-CE 3.4Å; E191-K194 PolarHBondContact O-NZ 2.76Å; K194-S202 WeakPolarHBondContact O-CB 3.41Å; K194-S202 PolarHBondContact O-OG 2.78Å
195	I	98.6	Very high	98.3	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	22%	0.218	C	C	.	.			trans	-130.1	109.1	166.6	-57.1	171.9	0	0	0	105.3	H165 Y189 F190 L197 L204 Y240	H165-I195 HydrophobicContact CB-CD1 3.81Å; Y189-I195 HydrophobicContact CD1-CD1 4.06Å; Y189-I195 HydrophobicContact CG-CD1 4.36Å; F190-I195 HydrophobicContact CD1-CB 4.17Å; F190-I195 VanDerWaalsContact CD1-O 3.32Å; F190-I195 WeakPolarHBondContact CD1-O 3.45Å; F190-I195 HydrophobicContact CE1-CB 3.68Å; F190-I195 HydrophobicContact CE1-CG2 4.09Å; F190-I195 WeakPolarHBondContact CE1-O 3.4Å; F190-I195 HydrophobicContact CE2-CD1 4.38Å; F190-I195 HydrophobicContact CZ-CB 4.04Å; F190-I195 HydrophobicContact CZ-CD1 4.15Å; F190-I195 HydrophobicContact CZ-CG2 4.33Å; I195-L197 HydrophobicContact CG2-CD2 4.31Å; I195-L197 PolarHBondContact O-N 3.13Å; I195-L204 HydrophobicContact CD1-CD1 3.81Å; I195-L204 HydrophobicContact CG1-CD1 3.88Å; I195-Y240 HydrophobicContact CD1-CD1 4.39Å
196	D	98.2	Very high	98.3	Very high	69 Å²	69	53.1 Å²	53.1	37%	0.369	25%	0.245	S	C	.	.			trans	-85.8	104.6	177.2	179.2	-10.4	0	0	0	109.4	R198 T199 G200 E201	D196-R198 PolarHBondContact O-N 2.82Å; D196-R198 WeakPolarHBondContact OD1-CA 3.34Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.02Å; D196-R198 PolarHBondContact OD1-N 2.9Å; D196-T199 VanDerWaalsContact CB-OG1 3.27Å; D196-T199 WeakPolarHBondContact CB-OG1 3.49Å; D196-T199 PolarHBondContact O-N 3Å; D196-T199 PolarHBondContact OD1-N 3.04Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.28Å; D196-T199 PolarHBondContact OD2-OG1 2.81Å; D196-G200 VanDerWaalsContact O-CA 3.25Å; D196-G200 WeakPolarHBondContact O-CA 3.38Å; D196-G200 PolarHBondContact O-N 3.45Å; D196-E201 HydrophobicContact CB-CB 4.42Å; D196-E201 PolarHBondContact N-O 2.99Å
197	L	97.3	Very high	98.3	Very high	76 Å²	76	53.5 Å²	53.5	40%	0.398	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.8	-179.1	-59.7	-178.5	0	0	0	113.9	G167 F190 I195 P238	G167-L197 WeakPolarHBondContact O-CD1 3.35Å; F190-L197 HydrophobicContact CE1-CD1 4.34Å; F190-L197 HydrophobicContact CE1-CD2 3.75Å; F190-L197 HydrophobicContact CE1-CG 3.92Å; F190-L197 HydrophobicContact CZ-CD2 4.11Å; I195-L197 HydrophobicContact CG2-CD2 4.31Å; I195-L197 PolarHBondContact O-N 3.13Å; L197-P238 HydrophobicContact CD2-CB 3.58Å; L197-P238 HydrophobicContact CD2-CG 3.68Å
198	R	96.1	Very high	98.3	Very high	222 Å²	222	53.5 Å²	53.5	84%	0.838	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-48.3	179.3	-179.7	-178.8	-71.4	-164.7	-2.5	110.2	D196 R253	D196-R198 PolarHBondContact O-N 2.82Å; D196-R198 WeakPolarHBondContact OD1-CA 3.34Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.02Å; D196-R198 PolarHBondContact OD1-N 2.9Å; R198-R253 PolarHBondContact O-NH2 2.89Å
199	T	97	Very high	98.3	Very high	61 Å²	61	54 Å²	54	37%	0.374	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-27.9	-175	59.5	0	0	0	0	112.6	D196 E201	D196-T199 VanDerWaalsContact CB-OG1 3.27Å; D196-T199 WeakPolarHBondContact CB-OG1 3.49Å; D196-T199 PolarHBondContact O-N 3Å; D196-T199 PolarHBondContact OD1-N 3.04Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.28Å; D196-T199 PolarHBondContact OD2-OG1 2.81Å; T199-E201 VanDerWaalsContact C-N 3.35Å; T199-E201 WeakPolarHBondContact OG1-CB 3.32Å; T199-E201 PolarHBondContact OG1-N 3.36Å
200	G	97.8	Very high	98.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.01	27%	0.272	C	S	.	.			trans	84.3	6.3	-166.1	0	0	0	0	0	113.3	D196 S202 Y240 A241	D196-G200 VanDerWaalsContact O-CA 3.25Å; D196-G200 WeakPolarHBondContact O-CA 3.38Å; D196-G200 PolarHBondContact O-N 3.45Å; G200-S202 PolarHBondContact O-N 3.03Å; G200-Y240 CarbonylContact O-C 3.59Å; G200-Y240 VanDerWaalsContact O-CA 3.22Å; G200-Y240 WeakPolarHBondContact O-CA 3.32Å; G200-Y240 WeakPolarHBondContact O-CB 3.39Å; G200-A241 PolarHBondContact O-N 2.95Å
201	E	98.7	Very high	98.4	Very high	66 Å²	66	59.7 Å²	59.7	31%	0.308	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-73.7	123.8	-174.7	-167	175.5	169.2	0	0	112.3	D196 T199 A241 K243 L246	D196-E201 HydrophobicContact CB-CB 4.42Å; D196-E201 PolarHBondContact N-O 2.99Å; T199-E201 VanDerWaalsContact C-N 3.35Å; T199-E201 WeakPolarHBondContact OG1-CB 3.32Å; T199-E201 PolarHBondContact OG1-N 3.36Å; E201-A241 WeakPolarHBondContact CA-O 3.48Å; E201-K243 HydrophobicContact CG-CB 4.36Å; E201-L246 HydrophobicContact CB-CD1 3.72Å; E201-L246 HydrophobicContact CG-CD1 4.12Å
202	S	98.8	Very high	98.4	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.042	27%	0.266	C	S	.	.			trans	-153.6	149.4	165.1	-169	0	0	0	0	111.7	K194 G200 L204 A241 S242	K194-S202 WeakPolarHBondContact O-CB 3.41Å; K194-S202 PolarHBondContact O-OG 2.78Å; G200-S202 PolarHBondContact O-N 3.03Å; S202-L204 WeakPolarHBondContact OG-CD1 3.18Å; S202-L204 WeakPolarHBondContact OG-CG 3.36Å; S202-A241 PolarHBondContact N-O 3.41Å; S202-A241 CarbonylContact O-C 3.56Å; S202-A241 VanDerWaalsContact O-C 3.25Å; S202-S242 WeakPolarHBondContact O-CA 3.38Å; S202-S242 WeakPolarHBondContact O-CB 3.2Å; S202-S242 PolarHBondContact O-N 2.85Å; S202-S242 VanDerWaalsContact O-N 3.09Å
203	N	98.7	Very high	98.4	Very high	74 Å²	74	54.1 Å²	54.1	40%	0.396	25%	0.249	S	C	.	.			trans	-95.8	8.1	177.8	-71.9	-41	0	0	0	113.6	T205 R206 M207	N203-T205 PolarHBondContact O-N 3.34Å; N203-R206 WeakPolarHBondContact O-CB 3.28Å; N203-R206 PolarHBondContact O-N 2.86Å; N203-M207 HydrophobicContact CB-CE 4.2Å; N203-M207 WeakPolarHBondContact O-CG 3.46Å; N203-M207 PolarHBondContact O-N 2.74Å
204	L	98.8	Very high	98.4	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-45.4	-172.9	-76.3	164.4	0	0	0	113.1	Y189 F193 I195 S202 R206 M207 Y208 Y240	Y189-L204 HydrophobicContact CD1-CD1 3.92Å; Y189-L204 HydrophobicContact CE1-CD1 3.47Å; Y189-L204 VanDerWaalsContact CE1-CD1 3.47Å; Y189-L204 HydrophobicContact CE1-CD2 3.76Å; Y189-L204 HydrophobicContact CE1-CG 4.27Å; F193-L204 HydrophobicContact CB-CD2 4.24Å; F193-L204 HydrophobicContact CD1-CD2 3.74Å; F193-L204 HydrophobicContact CG-CD2 4.35Å; I195-L204 HydrophobicContact CD1-CD1 3.81Å; I195-L204 HydrophobicContact CG1-CD1 3.88Å; S202-L204 WeakPolarHBondContact OG-CD1 3.18Å; S202-L204 WeakPolarHBondContact OG-CG 3.36Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 2.95Å; L204-M207 HydrophobicContact CD2-SD 4.49Å; L204-M207 WeakPolarHBondContact O-CA 3.14Å; L204-M207 WeakPolarHBondContact O-CB 3.25Å; L204-M207 PolarHBondContact O-N 3.4Å; L204-Y208 HydrophobicContact CB-CE2 4.2Å; L204-Y208 WeakPolarHBondContact O-CD2 3.08Å; L204-Y208 VanDerWaalsContact O-CG 3.29Å; L204-Y208 PolarHBondContact O-N 2.88Å; L204-Y240 HydrophobicContact CB-CD2 4.41Å; L204-Y240 HydrophobicContact CB-CE2 3.56Å; L204-Y240 HydrophobicContact CD1-CE1 4.11Å; L204-Y240 HydrophobicContact CD1-CE2 4.28Å
205	T	98.9	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-41.7	177.6	-47.7	0	0	0	0	111.7	N203 Y208 L209 A234 Y240 E260 L261	N203-T205 PolarHBondContact O-N 3.34Å; T205-Y208 PolarHBondContact O-N 2.76Å; T205-L209 WeakPolarHBondContact O-CB 3.43Å; T205-L209 PolarHBondContact O-N 3.43Å; T205-A234 WeakPolarHBondContact OG1-CB 3.27Å; T205-Y240 WeakPolarHBondContact OG1-CE2 3.4Å; T205-E260 HydrophobicContact CG2-CB 4.42Å; T205-E260 HydrophobicContact CG2-CG 3.71Å; T205-L261 HydrophobicContact CG2-CD2 3.82Å; T205-L261 HydrophobicContact CG2-CG 4.45Å
206	R	98.7	Very high	98.5	Very high	155 Å²	155	49.5 Å²	49.5	59%	0.585	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-40.9	174.6	-179.7	177.3	176.3	153.8	1.3	112.1	N203 L204 L209 M210	N203-R206 WeakPolarHBondContact O-CB 3.28Å; N203-R206 PolarHBondContact O-N 2.86Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 2.95Å; R206-L209 PolarHBondContact O-N 2.82Å; R206-M210 VanDerWaalsContact O-CG 3.3Å; R206-M210 WeakPolarHBondContact O-CG 3.07Å; R206-M210 PolarHBondContact O-N 2.92Å
207	M	98.9	Very high	98.5	Very high	73 Å²	73	50.8 Å²	50.8	36%	0.36	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-47.7	174.8	-67.8	173.3	-176.2	0	0	110.6	F159 F193 N203 L204 L209 M210 E211	F159-M207 HydrophobicContact CE1-CB 4.15Å; F159-M207 HydrophobicContact CZ-CB 4.34Å; F193-M207 HydrophobicContact CD1-SD 3.92Å; F193-M207 HydrophobicContact CE1-SD 3.81Å; N203-M207 HydrophobicContact CB-CE 4.2Å; N203-M207 WeakPolarHBondContact O-CG 3.46Å; N203-M207 PolarHBondContact O-N 2.74Å; L204-M207 HydrophobicContact CD2-SD 4.49Å; L204-M207 WeakPolarHBondContact O-CA 3.14Å; L204-M207 WeakPolarHBondContact O-CB 3.25Å; L204-M207 PolarHBondContact O-N 3.4Å; M207-L209 VanDerWaalsContact C-N 3.3Å; M207-L209 PolarHBondContact O-N 3Å; M207-M210 PolarHBondContact O-N 3.35Å; M207-M210 VanDerWaalsContact O-N 3.12Å; M207-E211 WeakPolarHBondContact O-CG 3.44Å; M207-E211 PolarHBondContact O-N 2.93Å
208	Y	98.9	Very high	98.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-38.8	176.2	-61.4	-27.6	0	0	0	112.8	V137 F159 Y189 L204 T205 G212 W230 A232	V137-Y208 HydrophobicContact CG1-CD1 3.79Å; V137-Y208 HydrophobicContact CG1-CG 4.01Å; V137-Y208 WeakPolarHBondContact CG1-O 3.43Å; F159-Y208 AromaticContact CD1-CD1 3.87Å; F159-Y208 HydrophobicContact CD1-CD1 3.87Å; F159-Y208 AromaticContact CD1-CE1 3.93Å; F159-Y208 HydrophobicContact CD1-CE1 3.93Å; F159-Y208 AromaticContact CE1-CD1 3.94Å; F159-Y208 HydrophobicContact CE1-CD1 3.94Å; F159-Y208 AromaticContact CE1-CE1 3.87Å; F159-Y208 HydrophobicContact CE1-CE1 3.87Å; Y189-Y208 PolarHBondContact OH-OH 2.86Å; L204-Y208 HydrophobicContact CB-CE2 4.2Å; L204-Y208 WeakPolarHBondContact O-CD2 3.08Å; L204-Y208 VanDerWaalsContact O-CG 3.29Å; L204-Y208 PolarHBondContact O-N 2.88Å; T205-Y208 PolarHBondContact O-N 2.76Å; Y208-G212 PolarHBondContact O-N 2.77Å; Y208-G212 VanDerWaalsContact O-N 3.16Å; Y208-W230 PolarHBondContact O-NE1 2.57Å; Y208-A232 HydrophobicContact CD2-CB 4.03Å
209	L	98.9	Very high	98.7	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-51.7	172.5	172.2	59.4	0	0	0	110.7	T205 R206 M207 E211 G212 L213 Y263 Q267 I268	T205-L209 WeakPolarHBondContact O-CB 3.43Å; T205-L209 PolarHBondContact O-N 3.43Å; R206-L209 PolarHBondContact O-N 2.82Å; M207-L209 VanDerWaalsContact C-N 3.3Å; M207-L209 PolarHBondContact O-N 3Å; L209-E211 VanDerWaalsContact C-N 3.32Å; L209-E211 PolarHBondContact O-N 2.76Å; L209-G212 PolarHBondContact O-N 3.29Å; L209-L213 HydrophobicContact CD1-CD1 3.83Å; L209-L213 HydrophobicContact CD1-CD2 4.09Å; L209-L213 HydrophobicContact CD1-CG 3.77Å; L209-L213 HydrophobicContact CG-CD1 3.94Å; L209-L213 HydrophobicContact CG-CG 4.26Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.44Å; L209-Y263 HydrophobicContact CD2-CE1 4.26Å; L209-Q267 HydrophobicContact CD1-CB 3.86Å; L209-Q267 HydrophobicContact CD2-CB 4.15Å; L209-Q267 HydrophobicContact CD2-CG 4.07Å; L209-I268 HydrophobicContact CD1-CD1 4.34Å; L209-I268 HydrophobicContact CD1-CG1 3.9Å
210	M	98.9	Very high	98.8	Very high	98 Å²	98	39.6 Å²	39.6	48%	0.483	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-40.2	-178.2	-67.8	-58.3	-58.8	0	0	112.5	R206 M207 G212 L213 D214	R206-M210 VanDerWaalsContact O-CG 3.3Å; R206-M210 WeakPolarHBondContact O-CG 3.07Å; R206-M210 PolarHBondContact O-N 2.92Å; M207-M210 PolarHBondContact O-N 3.35Å; M207-M210 VanDerWaalsContact O-N 3.12Å; M210-G212 VanDerWaalsContact C-N 3.33Å; M210-G212 PolarHBondContact O-N 3.48Å; M210-L213 PolarHBondContact O-N 3.32Å; M210-L213 HydrophobicContact SD-CD1 4.44Å; M210-D214 VanDerWaalsContact O-CB 3.3Å; M210-D214 WeakPolarHBondContact O-CB 3.46Å; M210-D214 PolarHBondContact O-N 3.12Å
211	E	98.9	Very high	98.8	Very high	46 Å²	46	46.9 Å²	46.9	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-37.3	176.6	-74.1	-64.1	145.4	0	0	113.2	K135 V137 F159 M207 L209 F215	K135-E211 PolarHBondContact NZ-O 3.42Å; K135-E211 VanDerWaalsContact NZ-O 3.11Å; K135-E211 IonicContact NZ-OE2 3.6Å; K135-E211 PolarHBondContact NZ-OE2 3Å; V137-E211 HydrophobicContact CG1-CB 4Å; V137-E211 HydrophobicContact CG2-CB 4.02Å; F159-E211 HydrophobicContact CB-CB 4.46Å; F159-E211 HydrophobicContact CB-CG 3.85Å; F159-E211 HydrophobicContact CD1-CG 3.74Å; F159-E211 HydrophobicContact CD2-CG 4.03Å; F159-E211 HydrophobicContact CE1-CG 4.26Å; F159-E211 HydrophobicContact CG-CG 3.61Å; M207-E211 WeakPolarHBondContact O-CG 3.44Å; M207-E211 PolarHBondContact O-N 2.93Å; L209-E211 VanDerWaalsContact C-N 3.32Å; L209-E211 PolarHBondContact O-N 2.76Å; E211-F215 WeakPolarHBondContact O-CB 3.27Å; E211-F215 PolarHBondContact O-N 3.07Å
212	G	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.8	-46.5	174.1	0	0	0	0	0	112.3	Y208 L209 M210 D214 F215 I216	Y208-G212 PolarHBondContact O-N 2.77Å; Y208-G212 VanDerWaalsContact O-N 3.16Å; L209-G212 PolarHBondContact O-N 3.29Å; M210-G212 VanDerWaalsContact C-N 3.33Å; M210-G212 PolarHBondContact O-N 3.48Å; G212-D214 PolarHBondContact O-N 3.44Å; G212-F215 PolarHBondContact O-N 3.31Å; G212-I216 VanDerWaalsContact O-CG1 3.28Å; G212-I216 WeakPolarHBondContact O-CG1 3.42Å; G212-I216 PolarHBondContact O-N 3.22Å
213	L	98.9	Very high	98.6	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-42	179.2	-63.8	178.8	0	0	0	112.2	L209 M210 R217 I268 L271	L209-L213 HydrophobicContact CD1-CD1 3.83Å; L209-L213 HydrophobicContact CD1-CD2 4.09Å; L209-L213 HydrophobicContact CD1-CG 3.77Å; L209-L213 HydrophobicContact CG-CD1 3.94Å; L209-L213 HydrophobicContact CG-CG 4.26Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.44Å; M210-L213 PolarHBondContact O-N 3.32Å; M210-L213 HydrophobicContact SD-CD1 4.44Å; L213-R217 WeakPolarHBondContact O-CG 3.46Å; L213-R217 PolarHBondContact O-N 3.5Å; L213-R217 VanDerWaalsContact O-N 3.17Å; L213-I268 HydrophobicContact CD2-CG1 4.01Å; L213-L271 HydrophobicContact CB-CD2 3.94Å; L213-L271 HydrophobicContact CD2-CB 3.92Å; L213-L271 HydrophobicContact CD2-CD2 3.52Å; L213-L271 HydrophobicContact CD2-CG 4.34Å; L213-L271 HydrophobicContact CG-CD2 4.31Å; L213-L271 WeakPolarHBondContact O-CD2 3.33Å
214	D	98.9	Very high	98.5	Very high	67 Å²	67	55.2 Å²	55.2	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-49.1	175.5	173.9	72	0	0	0	111.4	M210 G212 I216 R217 R218	M210-D214 VanDerWaalsContact O-CB 3.3Å; M210-D214 WeakPolarHBondContact O-CB 3.46Å; M210-D214 PolarHBondContact O-N 3.12Å; G212-D214 PolarHBondContact O-N 3.44Å; D214-I216 PolarHBondContact O-N 2.86Å; D214-R217 PolarHBondContact O-N 2.87Å; D214-R218 PolarHBondContact O-N 3.07Å; D214-R218 IonicContact OD1-NE 3.84Å; D214-R218 IonicContact OD2-CZ 3.32Å; D214-R218 IonicContact OD2-NE 2.75Å; D214-R218 PolarHBondContact OD2-NE 3.22Å; D214-R218 IonicContact OD2-NH2 2.76Å; D214-R218 PolarHBondContact OD2-NH2 2.66Å
215	F	98.9	Very high	98.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-48.2	179.1	178.3	-110.3	0	0	0	112.2	I133 K135 E211 G212 R217 R218 Q219 F226 L228	I133-F215 HydrophobicContact CG2-CE2 3.88Å; I133-F215 HydrophobicContact CG2-CZ 4.15Å; I133-F215 WeakPolarHBondContact O-CZ 3.4Å; K135-F215 HydrophobicContact CB-CD1 3.9Å; K135-F215 HydrophobicContact CB-CD2 3.76Å; K135-F215 HydrophobicContact CB-CE1 3.74Å; K135-F215 HydrophobicContact CB-CE2 3.6Å; K135-F215 HydrophobicContact CB-CG 3.9Å; K135-F215 HydrophobicContact CB-CZ 3.58Å; K135-F215 HydrophobicContact CD-CB 3.62Å; K135-F215 HydrophobicContact CD-CD1 4.25Å; K135-F215 HydrophobicContact CD-CD2 3.6Å; K135-F215 HydrophobicContact CD-CE2 4.3Å; K135-F215 HydrophobicContact CD-CG 3.56Å; K135-F215 HydrophobicContact CG-CD2 4.32Å; K135-F215 HydrophobicContact CG-CG 4.36Å; E211-F215 WeakPolarHBondContact O-CB 3.27Å; E211-F215 PolarHBondContact O-N 3.07Å; G212-F215 PolarHBondContact O-N 3.31Å; F215-R217 VanDerWaalsContact C-N 3.31Å; F215-R217 PolarHBondContact O-N 3.03Å; F215-R218 PolarHBondContact O-N 3.28Å; F215-Q219 HydrophobicContact CD2-CG 3.94Å; F215-Q219 HydrophobicContact CE1-CG 4.18Å; F215-Q219 HydrophobicContact CE2-CG 3.55Å; F215-Q219 HydrophobicContact CG-CG 4.41Å; F215-Q219 HydrophobicContact CZ-CG 3.69Å; F215-Q219 WeakPolarHBondContact O-CG 3.43Å; F215-Q219 PolarHBondContact O-N 3.05Å; F215-F226 HydrophobicContact CE1-CB 3.8Å; F215-F226 AromaticContact CE1-CD2 3.98Å; F215-F226 HydrophobicContact CE1-CD2 3.98Å; F215-F226 HydrophobicContact CE1-CG 4.15Å; F215-F226 HydrophobicContact CZ-CB 3.93Å; F215-L228 HydrophobicContact CD1-CB 4.23Å; F215-L228 HydrophobicContact CD1-CD1 4.1Å; F215-L228 HydrophobicContact CE1-CB 4.2Å
216	I	98.9	Very high	98.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-45.6	177.6	-69.4	165.6	0	0	0	110.8	I33 G212 D214 T220 F226 L228 I268 L271 L272 L275 I277	I33-I216 HydrophobicContact CD1-CD1 3.94Å; I33-I216 HydrophobicContact CD1-CG1 4.5Å; G212-I216 VanDerWaalsContact O-CG1 3.28Å; G212-I216 WeakPolarHBondContact O-CG1 3.42Å; G212-I216 PolarHBondContact O-N 3.22Å; D214-I216 PolarHBondContact O-N 2.86Å; I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.21Å; I216-T220 PolarHBondContact O-N 2.87Å; I216-T220 PolarHBondContact O-OG1 3.37Å; I216-F226 HydrophobicContact CB-CZ 4.39Å; I216-F226 HydrophobicContact CG1-CE2 3.96Å; I216-F226 HydrophobicContact CG1-CZ 3.92Å; I216-F226 HydrophobicContact CG2-CE1 4.41Å; I216-F226 HydrophobicContact CG2-CZ 4.08Å; I216-L228 HydrophobicContact CD1-CD2 4.06Å; I216-L228 HydrophobicContact CG1-CD2 4.28Å; I216-I268 HydrophobicContact CD1-CG2 3.86Å; I216-L271 HydrophobicContact CB-CD2 4.02Å; I216-L271 HydrophobicContact CG2-CD2 3.87Å; I216-L271 HydrophobicContact CG2-CG 4.33Å; I216-L272 HydrophobicContact CD1-CD2 4.35Å; I216-L272 HydrophobicContact CG2-CD2 3.89Å; I216-L275 HydrophobicContact CG2-CD1 3.9Å; I216-I277 HydrophobicContact CG2-CD1 4.19Å
217	R	98.9	Very high	98.4	Very high	96 Å²	96	49 Å²	49	36%	0.362	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-50.7	178.3	-72.1	-177.3	-168.7	103.5	0.1	111.6	L213 D214 F215 Q219 T220 E221 L271 L275	L213-R217 WeakPolarHBondContact O-CG 3.46Å; L213-R217 PolarHBondContact O-N 3.5Å; L213-R217 VanDerWaalsContact O-N 3.17Å; D214-R217 PolarHBondContact O-N 2.87Å; F215-R217 VanDerWaalsContact C-N 3.31Å; F215-R217 PolarHBondContact O-N 3.03Å; R217-Q219 PolarHBondContact O-N 3.29Å; R217-T220 PolarHBondContact O-N 3.31Å; R217-E221 WeakPolarHBondContact O-CG 2.97Å; R217-E221 PolarHBondContact O-N 2.98Å; R217-L271 HydrophobicContact CG-CD1 4.22Å; R217-L271 HydrophobicContact CG-CD2 4.15Å; R217-L275 HydrophobicContact CG-CD1 4.4Å
218	R	98.8	Very high	98.4	Very high	76 Å²	76	45.5 Å²	45.5	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-45.6	-178.4	-74.7	-172.2	-70.4	108.1	-5.9	112.5	E157 D214 F215 T220 E221 A222	E157-R218 IonicContact OE1-CZ 2.58Å; E157-R218 IonicContact OE1-NH1 2.72Å; E157-R218 PolarHBondContact OE1-NH1 3.35Å; E157-R218 IonicContact OE1-NH2 2.82Å; E157-R218 IonicContact OE2-CZ 3.51Å; E157-R218 IonicContact OE2-NH1 3.44Å; E157-R218 PolarHBondContact OE2-NH1 3.12Å; E157-R218 IonicContact OE2-NH2 3.57Å; E157-R218 PolarHBondContact OE2-NH2 2.76Å; D214-R218 PolarHBondContact O-N 3.07Å; D214-R218 IonicContact OD1-NE 3.84Å; D214-R218 IonicContact OD2-CZ 3.32Å; D214-R218 IonicContact OD2-NE 2.75Å; D214-R218 PolarHBondContact OD2-NE 3.22Å; D214-R218 IonicContact OD2-NH2 2.76Å; D214-R218 PolarHBondContact OD2-NH2 2.66Å; F215-R218 PolarHBondContact O-N 3.28Å; R218-T220 VanDerWaalsContact C-N 3.34Å; R218-E221 PolarHBondContact O-N 2.76Å; R218-A222 VanDerWaalsContact O-CB 3.31Å; R218-A222 WeakPolarHBondContact O-CB 3.38Å; R218-A222 PolarHBondContact O-N 2.93Å
219	Q	98.7	Very high	98.4	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-70.2	-34	-179.5	-57.6	-46.1	-36.4	0	0	112.1	F215 R217 A222 K223 Q224 F226	F215-Q219 HydrophobicContact CD2-CG 3.94Å; F215-Q219 HydrophobicContact CE1-CG 4.18Å; F215-Q219 HydrophobicContact CE2-CG 3.55Å; F215-Q219 HydrophobicContact CG-CG 4.41Å; F215-Q219 HydrophobicContact CZ-CG 3.69Å; F215-Q219 WeakPolarHBondContact O-CG 3.43Å; F215-Q219 PolarHBondContact O-N 3.05Å; R217-Q219 PolarHBondContact O-N 3.29Å; Q219-A222 CarbonylContact O-C 3.53Å; Q219-A222 PolarHBondContact O-N 3.05Å; Q219-K223 PolarHBondContact O-N 3.26Å; Q219-Q224 PolarHBondContact O-N 2.91Å; Q219-F226 HydrophobicContact CB-CB 3.8Å; Q219-F226 HydrophobicContact CB-CD1 3.69Å; Q219-F226 HydrophobicContact CB-CG 4.06Å; Q219-F226 HydrophobicContact CG-CB 3.79Å; Q219-F226 HydrophobicContact CG-CD1 4.49Å; Q219-F226 HydrophobicContact CG-CG 4.38Å
220	T	98.1	Very high	98.4	Very high	35 Å²	35	45 Å²	45	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-46.5	173.3	-56.3	0	0	0	0	111.6	I216 R217 R218 A222 K223 L275 I277	I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.21Å; I216-T220 PolarHBondContact O-N 2.87Å; I216-T220 PolarHBondContact O-OG1 3.37Å; R217-T220 PolarHBondContact O-N 3.31Å; R218-T220 VanDerWaalsContact C-N 3.34Å; T220-A222 VanDerWaalsContact C-N 3.32Å; T220-A222 PolarHBondContact O-N 2.96Å; T220-K223 PolarHBondContact O-N 2.74Å; T220-K223 VanDerWaalsContact O-N 3.09Å; T220-L275 HydrophobicContact CG2-CB 4.42Å; T220-L275 HydrophobicContact CG2-CD1 4.29Å; T220-I277 HydrophobicContact CG2-CD1 4.22Å; T220-I277 HydrophobicContact CG2-CG2 3.9Å; T220-I277 VanDerWaalsContact OG1-CD1 3.24Å; T220-I277 WeakPolarHBondContact OG1-CD1 3.16Å
221	E	98.2	Very high	98.4	Very high	153 Å²	153	40.3 Å²	40.3	72%	0.715	19%	0.194	S	C	*	.	H	α-helix	trans	-61.4	-40.7	175.7	-73.3	173.4	-171.6	0	0	111.8	R217 R218 K223	R217-E221 WeakPolarHBondContact O-CG 2.97Å; R217-E221 PolarHBondContact O-N 2.98Å; R218-E221 PolarHBondContact O-N 2.76Å; E221-K223 PolarHBondContact O-N 2.9Å
222	A	97.6	Very high	98.4	Very high	53 Å²	53	38.1 Å²	38.1	44%	0.438	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.2	176.2	0	0	0	0	0	113.9	R218 Q219 T220 Q224	R218-A222 VanDerWaalsContact O-CB 3.31Å; R218-A222 WeakPolarHBondContact O-CB 3.38Å; R218-A222 PolarHBondContact O-N 2.93Å; Q219-A222 CarbonylContact O-C 3.53Å; Q219-A222 PolarHBondContact O-N 3.05Å; T220-A222 VanDerWaalsContact C-N 3.32Å; T220-A222 PolarHBondContact O-N 2.96Å; A222-Q224 HydrophobicContact CB-CG 3.95Å; A222-Q224 PolarHBondContact O-N 3.15Å
223	K	96.3	Very high	98.4	Very high	186 Å²	186	38.1 Å²	38.1	81%	0.809	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	38.1	-174.5	-55.9	179.6	-178.7	179	0	112.7	Q219 T220 E221	Q219-K223 PolarHBondContact O-N 3.26Å; T220-K223 PolarHBondContact O-N 2.74Å; T220-K223 VanDerWaalsContact O-N 3.09Å; E221-K223 PolarHBondContact O-N 2.9Å
224	Q	95.6	Very high	98.4	Very high	83 Å²	83	37.5 Å²	37.5	39%	0.388	18%	0.181	S	C	.	.			trans	-100.2	136.2	176.4	-64.5	-59	-35.5	0	0	109.8	I133 Q219 A222	I133-Q224 HydrophobicContact CG1-CB 4.23Å; I133-Q224 HydrophobicContact CG1-CG 4.47Å; Q219-Q224 PolarHBondContact O-N 2.91Å; A222-Q224 HydrophobicContact CB-CG 3.95Å; A222-Q224 PolarHBondContact O-N 3.15Å
225	P	98	Very high	98.4	Very high	26 Å²	26	34.4 Å²	34.4	17%	0.169	16%	0.164	C	C	.	.			trans	-62.5	139.2	166.6	29.2	-32.3	0	0	0	108.6	Y132 I133	Y132-P225 WeakPolarHBondContact CA-O 3.5Å; Y132-P225 HydrophobicContact CD1-CB 4.1Å; Y132-P225 HydrophobicContact CD2-CB 4.32Å; Y132-P225 HydrophobicContact CD2-CG 4.29Å; Y132-P225 HydrophobicContact CE1-CB 3.98Å; Y132-P225 HydrophobicContact CE2-CB 4.23Å; Y132-P225 HydrophobicContact CE2-CG 4.49Å; Y132-P225 HydrophobicContact CG-CB 4.27Å; Y132-P225 HydrophobicContact CG-CG 4.41Å; I133-P225 PolarHBondContact N-O 3.25Å; I133-P225 VanDerWaalsContact N-O 3.07Å
226	F	98.9	Very high	98.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151	-177.2	67.1	-101.5	0	0	0	113	N31 I32 I33 I133 F215 I216 Q219 L228 L272 I277	N31-F226 WeakPolarHBondContact CA-O 3.46Å; N31-F226 HydrophobicContact CB-CD1 3.93Å; N31-F226 HydrophobicContact CB-CD2 4.11Å; N31-F226 HydrophobicContact CB-CE1 3.63Å; N31-F226 HydrophobicContact CB-CE2 3.8Å; N31-F226 HydrophobicContact CB-CG 4.17Å; N31-F226 HydrophobicContact CB-CZ 3.55Å; N31-F226 VanDerWaalsContact CG-CD1 3.47Å; N31-F226 WeakPolarHBondContact ND2-CE1 3.35Å; N31-F226 WeakPolarHBondContact OD1-CD1 3.11Å; N31-F226 WeakPolarHBondContact OD1-CE1 3.44Å; N31-F226 PolarHBondContact OD1-N 2.79Å; I32-F226 PolarHBondContact N-O 2.97Å; I33-F226 HydrophobicContact CD1-CE2 3.95Å; I33-F226 HydrophobicContact CD1-CZ 4.43Å; I33-F226 HydrophobicContact CG1-CE2 3.82Å; I133-F226 CarbonylContact O-C 3.52Å; I133-F226 VanDerWaalsContact O-CA 3.29Å; I133-F226 WeakPolarHBondContact O-CA 3.38Å; F215-F226 HydrophobicContact CE1-CB 3.8Å; F215-F226 AromaticContact CE1-CD2 3.98Å; F215-F226 HydrophobicContact CE1-CD2 3.98Å; F215-F226 HydrophobicContact CE1-CG 4.15Å; F215-F226 HydrophobicContact CZ-CB 3.93Å; I216-F226 HydrophobicContact CB-CZ 4.39Å; I216-F226 HydrophobicContact CG1-CE2 3.96Å; I216-F226 HydrophobicContact CG1-CZ 3.92Å; I216-F226 HydrophobicContact CG2-CE1 4.41Å; I216-F226 HydrophobicContact CG2-CZ 4.08Å; Q219-F226 HydrophobicContact CB-CB 3.8Å; Q219-F226 HydrophobicContact CB-CD1 3.69Å; Q219-F226 HydrophobicContact CB-CG 4.06Å; Q219-F226 HydrophobicContact CG-CB 3.79Å; Q219-F226 HydrophobicContact CG-CD1 4.49Å; Q219-F226 HydrophobicContact CG-CG 4.38Å; F226-L228 HydrophobicContact CD2-CB 4.45Å; F226-L272 HydrophobicContact CZ-CD2 4.36Å; F226-I277 HydrophobicContact CE1-CD1 4.22Å; F226-I277 HydrophobicContact CZ-CD1 4.48Å
227	F	98.9	Very high	98.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.7	168.4	172.5	-129.5	0	0	0	109.6	I32 I34 L123 P124 L127 Y132 I133 S134 K135 F155 Y229	I32-F227 HydrophobicContact CB-CD2 4.06Å; I32-F227 HydrophobicContact CG2-CD2 3.79Å; I32-F227 HydrophobicContact CG2-CE2 4.14Å; I32-F227 CarbonylContact O-C 3.42Å; I32-F227 VanDerWaalsContact O-CA 3.27Å; I32-F227 WeakPolarHBondContact O-CA 3.37Å; I34-F227 HydrophobicContact CB-CE2 4.33Å; I34-F227 HydrophobicContact CD1-CE2 3.87Å; I34-F227 HydrophobicContact CD1-CZ 4.27Å; I34-F227 HydrophobicContact CG1-CE2 4.04Å; L123-F227 HydrophobicContact CD2-CE1 4.26Å; L123-F227 HydrophobicContact CD2-CE2 4.13Å; L123-F227 HydrophobicContact CD2-CZ 3.79Å; L123-F227 HydrophobicContact CG-CE1 4.44Å; L123-F227 HydrophobicContact CG-CZ 4.44Å; P124-F227 HydrophobicContact CB-CD1 4.12Å; P124-F227 HydrophobicContact CB-CE1 4.27Å; L127-F227 HydrophobicContact CD1-CB 3.7Å; L127-F227 HydrophobicContact CD1-CD1 3.87Å; L127-F227 HydrophobicContact CD1-CD2 4.14Å; L127-F227 HydrophobicContact CD1-CG 3.63Å; Y132-F227 HydrophobicContact CD1-CB 4.22Å; I133-F227 PolarHBondContact O-N 3.33Å; S134-F227 CarbonylContact C-O 3.56Å; S134-F227 WeakPolarHBondContact CA-O 3.38Å; K135-F227 PolarHBondContact N-O 3.2Å; F155-F227 HydrophobicContact CE1-CD1 4.11Å; F155-F227 AromaticContact CE1-CE1 3.7Å; F155-F227 HydrophobicContact CE1-CE1 3.7Å; F155-F227 AromaticContact CZ-CE1 3.96Å; F155-F227 HydrophobicContact CZ-CE1 3.96Å; F227-Y229 HydrophobicContact CZ-CG 4.41Å
228	L	99	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.8	173	177.1	62.3	0	0	0	109.5	I32 I33 I34 K135 V137 F215 I216 F226 W230	I32-L228 PolarHBondContact O-N 3.43Å; I33-L228 CarbonylContact C-O 3.54Å; I33-L228 WeakPolarHBondContact CA-O 3.34Å; I33-L228 HydrophobicContact CG1-CB 4.19Å; I33-L228 HydrophobicContact CG2-CB 4.25Å; I33-L228 HydrophobicContact CG2-CD2 4.19Å; I33-L228 HydrophobicContact CG2-CG 4.34Å; I34-L228 PolarHBondContact N-O 3.42Å; K135-L228 HydrophobicContact CB-CD1 4.36Å; V137-L228 HydrophobicContact CG2-CD1 3.83Å; F215-L228 HydrophobicContact CD1-CB 4.23Å; F215-L228 HydrophobicContact CD1-CD1 4.1Å; F215-L228 HydrophobicContact CE1-CB 4.2Å; I216-L228 HydrophobicContact CD1-CD2 4.06Å; I216-L228 HydrophobicContact CG1-CD2 4.28Å; F226-L228 HydrophobicContact CD2-CB 4.45Å; L228-W230 HydrophobicContact CG-CB 4.3Å
229	Y	98.9	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	97.6	168.5	-177.8	-129.9	0	0	0	109.1	I34 L36 L85 L86 K135 I136 V137 F155 F227 A231	I34-Y229 HydrophobicContact CB-CD2 4.21Å; I34-Y229 HydrophobicContact CG2-CD2 4.11Å; I34-Y229 HydrophobicContact CG2-CE2 4.27Å; L36-Y229 HydrophobicContact CB-CE2 3.89Å; L36-Y229 HydrophobicContact CD2-CE2 3.98Å; L36-Y229 WeakPolarHBondContact CD2-OH 3.27Å; L85-Y229 HydrophobicContact CD1-CE2 4.12Å; L85-Y229 HydrophobicContact CD2-CE2 4.26Å; L86-Y229 HydrophobicContact CD1-CE1 4.36Å; K135-Y229 PolarHBondContact O-N 3.49Å; I136-Y229 WeakPolarHBondContact CA-O 3.46Å; I136-Y229 HydrophobicContact CB-CD1 4.14Å; I136-Y229 HydrophobicContact CD1-CD1 3.68Å; I136-Y229 HydrophobicContact CD1-CE1 3.88Å; I136-Y229 HydrophobicContact CG1-CD1 3.74Å; I136-Y229 HydrophobicContact CG1-CE1 4.37Å; V137-Y229 PolarHBondContact N-O 3.42Å; F155-Y229 HydrophobicContact CE1-CD1 4.47Å; F155-Y229 AromaticContact CZ-CD1 3.88Å; F155-Y229 HydrophobicContact CZ-CD1 3.88Å; F155-Y229 HydrophobicContact CZ-CG 4.27Å; F227-Y229 HydrophobicContact CZ-CG 4.41Å; Y229-A231 HydrophobicContact CD1-CB 4.27Å; Y229-A231 HydrophobicContact CE1-CB 3.87Å; Y229-A231 HydrophobicContact CE2-CB 4.37Å
230	W	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	95.4	-176.6	-164	82.5	0	0	0	110	I34 M35 L36 M37 Y208 L228 A232 L261 I268	I34-W230 PolarHBondContact O-N 3.02Å; M35-W230 CarbonylContact C-O 3.53Å; M35-W230 WeakPolarHBondContact CA-O 3.44Å; M35-W230 HydrophobicContact CB-CE3 4.45Å; M35-W230 HydrophobicContact CG-CB 4.44Å; M35-W230 HydrophobicContact CG-CE3 4.49Å; L36-W230 PolarHBondContact N-O 3.34Å; M37-W230 HydrophobicContact CE-CE3 3.82Å; M37-W230 HydrophobicContact CE-CZ3 3.69Å; M37-W230 HydrophobicContact SD-CZ3 4.41Å; Y208-W230 PolarHBondContact O-NE1 2.57Å; L228-W230 HydrophobicContact CG-CB 4.3Å; W230-A232 HydrophobicContact CD2-CB 4.33Å; W230-A232 HydrophobicContact CE3-CB 4.01Å; W230-A232 HydrophobicContact CH2-CB 3.56Å; W230-A232 HydrophobicContact CZ2-CB 3.87Å; W230-A232 HydrophobicContact CZ3-CB 3.62Å; W230-L261 HydrophobicContact CH2-CD2 3.58Å; W230-L261 HydrophobicContact CZ3-CD2 3.91Å; W230-I268 HydrophobicContact CD2-CD1 4.45Å
231	A	98.8	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	56.7	-168.4	0	0	0	0	0	111.5	L36 V137 K139 Y229	L36-A231 WeakPolarHBondContact O-CA 3.47Å; V137-A231 WeakPolarHBondContact O-CA 3.26Å; V137-A231 PolarHBondContact O-N 3.13Å; K139-A231 PolarHBondContact N-O 3.48Å; Y229-A231 HydrophobicContact CD1-CB 4.27Å; Y229-A231 HydrophobicContact CE1-CB 3.87Å; Y229-A231 HydrophobicContact CE2-CB 4.37Å
232	A	98.2	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.			trans	-66.3	149.2	178.9	0	0	0	0	0	111.9	Y208 W230 L261	Y208-A232 HydrophobicContact CD2-CB 4.03Å; W230-A232 HydrophobicContact CD2-CB 4.33Å; W230-A232 HydrophobicContact CE3-CB 4.01Å; W230-A232 HydrophobicContact CH2-CB 3.56Å; W230-A232 HydrophobicContact CZ2-CB 3.87Å; W230-A232 HydrophobicContact CZ3-CB 3.62Å; A232-L261 HydrophobicContact CB-CD2 3.7Å
233	D	98.6	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.			trans	-126	14.4	-169.5	65.9	-16.9	0	0	0	114.7	D38 K139 H165 T235 H236 Y240	D38-D233 HydrophobicContact CB-CB 4.08Å; D38-D233 VanDerWaalsContact OD2-CB 3.24Å; D38-D233 WeakPolarHBondContact OD2-CB 3.4Å; K139-D233 HydrophobicContact CB-CB 4.26Å; K139-D233 HydrophobicContact CD-CB 4.43Å; H165-D233 PolarHBondContact CE1-O 2.91Å; H165-D233 IonicContact CE1-OD2 2.99Å; H165-D233 IonicContact CG-OD2 3.83Å; H165-D233 VanDerWaalsContact ND1-CG 3.26Å; H165-D233 IonicContact ND1-OD1 3.19Å; H165-D233 IonicContact ND1-OD2 3.28Å; H165-D233 PolarHBondContact ND1-OD2 3.49Å; D233-T235 PolarHBondContact O-N 3.24Å; D233-T235 VanDerWaalsContact O-N 3.11Å; D233-H236 WeakPolarHBondContact O-CB 3.45Å; D233-H236 PolarHBondContact O-N 2.64Å; D233-Y240 PolarHBondContact OD1-OH 2.83Å
234	A	98.8	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.9	-173	0	0	0	0	0	115.3	T205 V239 Y240 A257 L261	T205-A234 WeakPolarHBondContact OG1-CB 3.27Å; A234-V239 WeakPolarHBondContact O-CA 3.31Å; A234-V239 WeakPolarHBondContact O-CG1 3.27Å; A234-Y240 VanDerWaalsContact CA-CZ 3.47Å; A234-Y240 HydrophobicContact CB-CD2 3.96Å; A234-Y240 HydrophobicContact CB-CE1 4.33Å; A234-Y240 HydrophobicContact CB-CE2 3.47Å; A234-Y240 VanDerWaalsContact CB-CE2 3.47Å; A234-Y240 PolarHBondContact O-N 3.29Å; A234-A257 HydrophobicContact CB-CB 4.17Å; A234-L261 HydrophobicContact CB-CD1 4.48Å; A234-L261 HydrophobicContact CB-CD2 4.46Å; A234-L261 HydrophobicContact CB-CG 4.5Å
235	T	98.7	Very high	98.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.4	178.5	40.7	0	0	0	0	114.1	D38 M40 D233 Y254 A257 V258 L261	D38-T235 WeakPolarHBondContact O-CB 3.25Å; D38-T235 PolarHBondContact O-OG1 3.3Å; M40-T235 HydrophobicContact CE-CG2 4.23Å; D233-T235 PolarHBondContact O-N 3.24Å; D233-T235 VanDerWaalsContact O-N 3.11Å; T235-Y254 HydrophobicContact CG2-CD2 4.44Å; T235-Y254 HydrophobicContact CG2-CE2 3.86Å; T235-Y254 WeakPolarHBondContact O-CE2 3.39Å; T235-A257 HydrophobicContact CG2-CB 4.13Å; T235-V258 HydrophobicContact CG2-CG2 3.74Å; T235-L261 HydrophobicContact CG2-CD1 3.62Å
236	H	98.6	Very high	98.6	Very high	30 Å²	30	17.8 Å²	17.8	14%	0.139	10%	0.095	C	C	.	.	S	Bend	trans	-78.8	141.5	172	-175.8	-64.8	0	0	0	109.6	D38 D39 H165 D233 P238 V239 K310	D38-H236 HydrophobicContact CB-CB 4.13Å; D38-H236 IonicContact OD1-CD2 3.27Å; D38-H236 WeakPolarHBondContact OD2-CB 3.42Å; D38-H236 IonicContact OD2-CD2 3.92Å; D38-H236 PolarHBondContact OD2-CD2 3.43Å; D38-H236 IonicContact OD2-CG 2.96Å; D39-H236 IonicContact OD1-CD2 2.75Å; D39-H236 IonicContact OD2-CD2 2.96Å; D39-H236 PolarHBondContact OD2-CD2 3.37Å; D39-H236 IonicContact OD2-CG 2.98Å; D39-H236 IonicContact OD2-NE2 3.88Å; H165-H236 PolarHBondContact CE1-O 3.05Å; H165-H236 PolarHBondContact NE2-O 3.4Å; H165-H236 VanDerWaalsContact NE2-O 3.12Å; D233-H236 WeakPolarHBondContact O-CB 3.45Å; D233-H236 PolarHBondContact O-N 2.64Å; H236-P238 CarbonylContact O-C 3.6Å; H236-V239 PolarHBondContact O-N 3.05Å; H236-K310 PolarHBondContact NE2-NZ 3.04Å
237	S	96.8	Very high	98.5	Very high	29 Å²	29	21 Å²	21	20%	0.203	13%	0.128	C	C	.	.	S	Bend	trans	-71.6	140	-180	-177.1	0	0	0	0	111.7	E299	S237-E299 WeakPolarHBondContact CB-OE2 3.44Å; S237-E299 PolarHBondContact OG-OE2 3.33Å
238	P	98.1	Very high	98.5	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.084	16%	0.155	C	C	.	.	S	Bend	cis	-73.8	118.1	-1	30.1	-34.3	0	0	0	112.7	H165 L197 H236 E299	H165-P238 PolarHBondContact NE2-O 3.26Å; H165-P238 VanDerWaalsContact NE2-O 3.14Å; L197-P238 HydrophobicContact CD2-CB 3.58Å; L197-P238 HydrophobicContact CD2-CG 3.68Å; H236-P238 CarbonylContact O-C 3.6Å; P238-E299 WeakPolarHBondContact CA-OE2 3.35Å
239	V	98.6	Very high	98.4	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-62.7	142.2	-173.9	174.3	0	0	0	0	110.4	A234 H236 R253 Y254 A257 E299	A234-V239 WeakPolarHBondContact O-CA 3.31Å; A234-V239 WeakPolarHBondContact O-CG1 3.27Å; H236-V239 PolarHBondContact O-N 3.05Å; V239-R253 HydrophobicContact CB-CG 4.19Å; V239-R253 HydrophobicContact CG1-CB 4.46Å; V239-R253 HydrophobicContact CG1-CG 3.87Å; V239-R253 WeakPolarHBondContact CG1-O 3.46Å; V239-R253 WeakPolarHBondContact O-CD 3.16Å; V239-Y254 HydrophobicContact CG2-CD2 4.2Å; V239-A257 HydrophobicContact CG1-CB 3.65Å; V239-E299 HydrophobicContact CB-CB 4.39Å; V239-E299 HydrophobicContact CB-CG 4.19Å; V239-E299 HydrophobicContact CG2-CB 3.72Å; V239-E299 HydrophobicContact CG2-CG 4.07Å; V239-E299 PolarHBondContact N-OE2 2.94Å
240	Y	98.8	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.			trans	-137.6	155.6	176.2	64.4	-101	0	0	0	113	H165 I195 G200 L204 T205 D233 A234 A257	H165-Y240 AromaticContact CD2-CE1 3.97Å; H165-Y240 AromaticContact CE1-CE1 3.75Å; H165-Y240 AromaticContact CG-CE1 3.93Å; H165-Y240 AromaticContact ND1-CE1 3.79Å; H165-Y240 AromaticContact NE2-CD1 3.95Å; H165-Y240 AromaticContact NE2-CE1 3.89Å; I195-Y240 HydrophobicContact CD1-CD1 4.39Å; G200-Y240 CarbonylContact O-C 3.59Å; G200-Y240 VanDerWaalsContact O-CA 3.22Å; G200-Y240 WeakPolarHBondContact O-CA 3.32Å; G200-Y240 WeakPolarHBondContact O-CB 3.39Å; L204-Y240 HydrophobicContact CB-CD2 4.41Å; L204-Y240 HydrophobicContact CB-CE2 3.56Å; L204-Y240 HydrophobicContact CD1-CE1 4.11Å; L204-Y240 HydrophobicContact CD1-CE2 4.28Å; T205-Y240 WeakPolarHBondContact OG1-CE2 3.4Å; D233-Y240 PolarHBondContact OD1-OH 2.83Å; A234-Y240 VanDerWaalsContact CA-CZ 3.47Å; A234-Y240 HydrophobicContact CB-CD2 3.96Å; A234-Y240 HydrophobicContact CB-CE1 4.33Å; A234-Y240 HydrophobicContact CB-CE2 3.47Å; A234-Y240 VanDerWaalsContact CB-CE2 3.47Å; A234-Y240 PolarHBondContact O-N 3.29Å; Y240-A257 VanDerWaalsContact O-CB 3.27Å; Y240-A257 WeakPolarHBondContact O-CB 3.46Å
241	A	98.9	Very high	98.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-147.9	158.3	169	0	0	0	0	0	110.2	G200 E201 S202 F245 L246 D256 E260	G200-A241 PolarHBondContact O-N 2.95Å; E201-A241 WeakPolarHBondContact CA-O 3.48Å; S202-A241 PolarHBondContact N-O 3.41Å; S202-A241 CarbonylContact O-C 3.56Å; S202-A241 VanDerWaalsContact O-C 3.25Å; A241-F245 HydrophobicContact CB-CB 4.2Å; A241-L246 HydrophobicContact CB-CD2 4Å; A241-D256 HydrophobicContact CB-CB 3.98Å; A241-E260 WeakPolarHBondContact CA-OE2 3.28Å
242	S	98.7	Very high	98.1	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	22%	0.218	C	C	.	.			trans	-71.3	157.5	173.7	73.1	0	0	0	0	111.6	S202 S244 F245 L246 E260	S202-S242 WeakPolarHBondContact O-CA 3.38Å; S202-S242 WeakPolarHBondContact O-CB 3.2Å; S202-S242 PolarHBondContact O-N 2.85Å; S202-S242 VanDerWaalsContact O-N 3.09Å; S242-S244 PolarHBondContact O-N 3.1Å; S242-S244 PolarHBondContact OG-OG 2.75Å; S242-F245 PolarHBondContact O-N 3.32Å; S242-L246 PolarHBondContact O-N 3.37Å; S242-E260 WeakPolarHBondContact CB-OE1 3.34Å; S242-E260 PolarHBondContact N-OE2 3.28Å; S242-E260 PolarHBondContact OG-OE1 2.94Å
243	K	98.5	Very high	98.1	Very high	149 Å²	149	41.7 Å²	41.7	65%	0.648	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.3	-174.1	-170.9	171	-178.3	169.3	0	115	E201 F245	E201-K243 HydrophobicContact CG-CB 4.36Å; K243-F245 VanDerWaalsContact C-N 3.28Å; K243-F245 PolarHBondContact O-N 3.43Å
244	S	98.3	Very high	98.1	Very high	76 Å²	76	41.7 Å²	41.7	53%	0.531	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.1	179	43.5	0	0	0	0	113.7	S242	S242-S244 PolarHBondContact O-N 3.1Å; S242-S244 PolarHBondContact OG-OG 2.75Å
245	F	98.6	Very high	98.1	Very high	32 Å²	32	41.7 Å²	41.7	14%	0.14	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-19.9	-177	-68.5	-89.2	0	0	0	113.4	A241 S242 K243 G247 K248 D256 M259 E260 Y263	A241-F245 HydrophobicContact CB-CB 4.2Å; S242-F245 PolarHBondContact O-N 3.32Å; K243-F245 VanDerWaalsContact C-N 3.28Å; K243-F245 PolarHBondContact O-N 3.43Å; F245-G247 PolarHBondContact O-N 2.8Å; F245-K248 VanDerWaalsContact O-CB 3.3Å; F245-K248 WeakPolarHBondContact O-CB 3.23Å; F245-K248 VanDerWaalsContact O-CG 3.23Å; F245-K248 WeakPolarHBondContact O-CG 3.41Å; F245-K248 PolarHBondContact O-N 3.35Å; F245-D256 WeakPolarHBondContact O-CB 3.17Å; F245-M259 HydrophobicContact CD1-CB 3.91Å; F245-M259 HydrophobicContact CE1-CB 4.4Å; F245-E260 HydrophobicContact CB-CB 4.22Å; F245-E260 HydrophobicContact CD1-CB 3.94Å; F245-E260 HydrophobicContact CD2-CB 3.72Å; F245-E260 HydrophobicContact CD2-CG 3.61Å; F245-E260 HydrophobicContact CE1-CB 4.22Å; F245-E260 HydrophobicContact CE2-CB 4.03Å; F245-E260 HydrophobicContact CE2-CG 3.65Å; F245-E260 HydrophobicContact CG-CB 3.68Å; F245-E260 HydrophobicContact CG-CG 4.13Å; F245-E260 HydrophobicContact CZ-CB 4.27Å; F245-E260 HydrophobicContact CZ-CG 4.18Å; F245-Y263 HydrophobicContact CE1-CG 4.38Å; F245-Y263 HydrophobicContact CE2-CD1 4.43Å; F245-Y263 AromaticContact CZ-CD1 3.83Å; F245-Y263 HydrophobicContact CZ-CD1 3.83Å; F245-Y263 HydrophobicContact CZ-CD2 4.43Å; F245-Y263 AromaticContact CZ-CG 3.73Å; F245-Y263 HydrophobicContact CZ-CG 3.73Å
246	L	98.5	Very high	98.1	Very high	37 Å²	37	42 Å²	42	19%	0.194	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.2	179.4	-68.2	176.3	0	0	0	113.1	E201 A241 S242 K248 D256	E201-L246 HydrophobicContact CB-CD1 3.72Å; E201-L246 HydrophobicContact CG-CD1 4.12Å; A241-L246 HydrophobicContact CB-CD2 4Å; S242-L246 PolarHBondContact O-N 3.37Å; L246-K248 VanDerWaalsContact C-N 3.3Å; L246-K248 PolarHBondContact O-N 3.26Å; L246-D256 WeakPolarHBondContact CA-OD2 3.33Å
247	G	97.6	Very high	98.1	Very high	69 Å²	69	40.6 Å²	40.6	71%	0.711	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	24.4	179.3	0	0	0	0	0	114	F245 D256	F245-G247 PolarHBondContact O-N 2.8Å; G247-D256 VanDerWaalsContact N-CG 3.28Å; G247-D256 PolarHBondContact N-OD1 2.96Å; G247-D256 PolarHBondContact N-OD2 3.43Å
248	K	98.1	Very high	98.2	Very high	130 Å²	130	39.2 Å²	39.2	57%	0.565	21%	0.214	S	C	*	.			trans	-99.8	-31.9	179.7	-60.1	-58.1	179.8	-173.1	0	112.4	F245 L246 D256 M259	F245-K248 VanDerWaalsContact O-CB 3.3Å; F245-K248 WeakPolarHBondContact O-CB 3.23Å; F245-K248 VanDerWaalsContact O-CG 3.23Å; F245-K248 WeakPolarHBondContact O-CG 3.41Å; F245-K248 PolarHBondContact O-N 3.35Å; L246-K248 VanDerWaalsContact C-N 3.3Å; L246-K248 PolarHBondContact O-N 3.26Å; K248-D256 PolarHBondContact N-OD1 2.95Å; K248-M259 HydrophobicContact CB-CE 4.14Å; K248-M259 HydrophobicContact CB-SD 4.05Å
249	S	98	Very high	98.2	Very high	12 Å²	12	40.9 Å²	40.9	8%	0.084	22%	0.222	C	C	.	.			trans	-79.8	145	178.9	174.2	0	0	0	0	112.2	E54 R251 G255 D256	E54-S249 VanDerWaalsContact CD-OG 3.27Å; E54-S249 WeakPolarHBondContact OE1-CA 3.25Å; E54-S249 PolarHBondContact OE1-OG 2.93Å; E54-S249 WeakPolarHBondContact OE2-CB 3.44Å; E54-S249 PolarHBondContact OE2-OG 3.43Å; S249-R251 PolarHBondContact O-N 2.97Å; S249-R251 WeakPolarHBondContact OG-CB 3.33Å; S249-R251 PolarHBondContact OG-N 2.94Å; S249-G255 VanDerWaalsContact OG-CA 3.23Å; S249-G255 WeakPolarHBondContact OG-CA 3.45Å; S249-D256 VanDerWaalsContact CB-N 3.34Å; S249-D256 WeakPolarHBondContact CB-OD1 3.38Å; S249-D256 PolarHBondContact N-OD1 3.31Å
250	Q	97.3	Very high	98.2	Very high	162 Å²	162	41 Å²	41	76%	0.757	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.4	167.9	-58.9	-56.4	-49.2	0	0	112.9	E54	E54-Q250 WeakPolarHBondContact OE1-CB 3.24Å; E54-Q250 PolarHBondContact OE1-N 3.4Å
251	R	96.8	Very high	98.3	Very high	36 Å²	36	41.1 Å²	41.1	14%	0.136	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	17.1	-176.2	-44.2	164.5	60.8	179	-3.4	112.1	D44 Q50 E54 S249	D44-R251 PolarHBondContact O-NH1 3.06Å; D44-R251 IonicContact OD1-CZ 2.96Å; D44-R251 IonicContact OD1-NH1 3.15Å; D44-R251 IonicContact OD1-NH2 2.9Å; D44-R251 PolarHBondContact OD1-NH2 2.99Å; Q50-R251 VanDerWaalsContact NE2-CD 3.26Å; E54-R251 WeakPolarHBondContact OE2-CD 3.3Å; E54-R251 WeakPolarHBondContact OE2-CG 3.23Å; S249-R251 PolarHBondContact O-N 2.97Å; S249-R251 WeakPolarHBondContact OG-CB 3.33Å; S249-R251 PolarHBondContact OG-N 2.94Å
252	G	96.2	Very high	98.3	Very high	33 Å²	33	41.3 Å²	41.3	34%	0.34	22%	0.223	S	C	.	.	H	α-helix	trans	66.9	-154.7	-178.1	0	0	0	0	0	112.8	Y254 G255 D256	G252-Y254 VanDerWaalsContact C-N 3.31Å; G252-Y254 PolarHBondContact O-N 2.81Å; G252-G255 PolarHBondContact O-N 2.84Å; G252-D256 PolarHBondContact O-N 3.04Å
253	R	97.5	Very high	98.3	Very high	60 Å²	60	46 Å²	46	23%	0.226	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-39.4	-172.1	-167.4	-178.4	-65.9	154.1	-8.9	112.5	R198 V239 G255 D256 A257 E299	R198-R253 PolarHBondContact O-NH2 2.89Å; V239-R253 HydrophobicContact CB-CG 4.19Å; V239-R253 HydrophobicContact CG1-CB 4.46Å; V239-R253 HydrophobicContact CG1-CG 3.87Å; V239-R253 WeakPolarHBondContact CG1-O 3.46Å; V239-R253 WeakPolarHBondContact O-CD 3.16Å; R253-G255 VanDerWaalsContact C-N 3.32Å; R253-G255 PolarHBondContact O-N 3.41Å; R253-D256 WeakPolarHBondContact O-CB 3.43Å; R253-D256 PolarHBondContact O-N 2.93Å; R253-A257 PolarHBondContact O-N 3.03Å; R253-A257 VanDerWaalsContact O-N 3.17Å; R253-E299 IonicContact CZ-OE1 2.72Å; R253-E299 IonicContact NH1-OE1 3.15Å; R253-E299 PolarHBondContact NH1-OE1 2.88Å
254	Y	98.7	Very high	98.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-54	-48.9	173.2	-175.5	-91.1	0	0	0	112	D39 M40 D44 T235 V239 G252 D256 A257 V258 Q298 S300 G301	D39-Y254 PolarHBondContact O-OH 2.65Å; M40-Y254 WeakPolarHBondContact CA-OH 3.42Å; D44-Y254 PolarHBondContact OD2-OH 2.92Å; T235-Y254 HydrophobicContact CG2-CD2 4.44Å; T235-Y254 HydrophobicContact CG2-CE2 3.86Å; T235-Y254 WeakPolarHBondContact O-CE2 3.39Å; V239-Y254 HydrophobicContact CG2-CD2 4.2Å; G252-Y254 VanDerWaalsContact C-N 3.31Å; G252-Y254 PolarHBondContact O-N 2.81Å; Y254-D256 PolarHBondContact O-N 2.85Å; Y254-A257 WeakPolarHBondContact O-CB 3.44Å; Y254-A257 PolarHBondContact O-N 3.23Å; Y254-V258 HydrophobicContact CD1-CG2 3.84Å; Y254-V258 HydrophobicContact CE1-CG2 3.37Å; Y254-V258 WeakPolarHBondContact O-CG2 3.37Å; Y254-V258 PolarHBondContact O-N 3.16Å; Y254-Q298 PolarHBondContact N-O 2.93Å; Y254-Q298 VanDerWaalsContact N-O 3.16Å; Y254-S300 VanDerWaalsContact CD2-C 3.45Å; Y254-S300 VanDerWaalsContact CG-C 3.47Å; Y254-G301 VanDerWaalsContact CE2-N 3.29Å
255	G	98.6	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.5	-29.6	-180	0	0	0	0	0	114	S249 G252 R253 A257 V258 M259	S249-G255 VanDerWaalsContact OG-CA 3.23Å; S249-G255 WeakPolarHBondContact OG-CA 3.45Å; G252-G255 PolarHBondContact O-N 2.84Å; R253-G255 VanDerWaalsContact C-N 3.32Å; R253-G255 PolarHBondContact O-N 3.41Å; G255-A257 VanDerWaalsContact C-N 3.29Å; G255-A257 PolarHBondContact O-N 3.46Å; G255-V258 PolarHBondContact O-N 3.03Å; G255-M259 WeakPolarHBondContact O-CG 3.48Å; G255-M259 PolarHBondContact O-N 3.18Å
256	D	98.8	Very high	98.3	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-42.9	171.9	-64.3	-28.7	0	0	0	110.6	A241 F245 L246 G247 K248 S249 G252 R253 Y254 M259 E260	A241-D256 HydrophobicContact CB-CB 3.98Å; F245-D256 WeakPolarHBondContact O-CB 3.17Å; L246-D256 WeakPolarHBondContact CA-OD2 3.33Å; G247-D256 VanDerWaalsContact N-CG 3.28Å; G247-D256 PolarHBondContact N-OD1 2.96Å; G247-D256 PolarHBondContact N-OD2 3.43Å; K248-D256 PolarHBondContact N-OD1 2.95Å; S249-D256 VanDerWaalsContact CB-N 3.34Å; S249-D256 WeakPolarHBondContact CB-OD1 3.38Å; S249-D256 PolarHBondContact N-OD1 3.31Å; G252-D256 PolarHBondContact O-N 3.04Å; R253-D256 WeakPolarHBondContact O-CB 3.43Å; R253-D256 PolarHBondContact O-N 2.93Å; Y254-D256 PolarHBondContact O-N 2.85Å; D256-M259 PolarHBondContact O-N 2.87Å; D256-E260 PolarHBondContact O-N 3.48Å; D256-E260 VanDerWaalsContact O-N 3.12Å
257	A	98.9	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-43.8	174.7	0	0	0	0	0	111.8	A234 T235 V239 Y240 R253 Y254 G255 M259 E260 L261	A234-A257 HydrophobicContact CB-CB 4.17Å; T235-A257 HydrophobicContact CG2-CB 4.13Å; V239-A257 HydrophobicContact CG1-CB 3.65Å; Y240-A257 VanDerWaalsContact O-CB 3.27Å; Y240-A257 WeakPolarHBondContact O-CB 3.46Å; R253-A257 PolarHBondContact O-N 3.03Å; R253-A257 VanDerWaalsContact O-N 3.17Å; Y254-A257 WeakPolarHBondContact O-CB 3.44Å; Y254-A257 PolarHBondContact O-N 3.23Å; G255-A257 VanDerWaalsContact C-N 3.29Å; G255-A257 PolarHBondContact O-N 3.46Å; A257-M259 VanDerWaalsContact C-N 3.35Å; A257-M259 PolarHBondContact O-N 2.66Å; A257-E260 PolarHBondContact O-N 3.3Å; A257-L261 WeakPolarHBondContact O-CG 3.41Å; A257-L261 PolarHBondContact O-N 2.61Å
258	V	98.9	Very high	98.4	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-58.8	-44.4	175.2	172	0	0	0	0	111.5	M40 T55 T235 Y254 G255 E260 L261 D262	M40-V258 HydrophobicContact CE-CG2 4.35Å; T55-V258 HydrophobicContact CG2-CG1 3.48Å; T55-V258 VanDerWaalsContact CG2-CG1 3.48Å; T235-V258 HydrophobicContact CG2-CG2 3.74Å; Y254-V258 HydrophobicContact CD1-CG2 3.84Å; Y254-V258 HydrophobicContact CE1-CG2 3.37Å; Y254-V258 WeakPolarHBondContact O-CG2 3.37Å; Y254-V258 PolarHBondContact O-N 3.16Å; G255-V258 PolarHBondContact O-N 3.03Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-E260 PolarHBondContact O-N 2.94Å; V258-L261 PolarHBondContact O-N 3.07Å; V258-D262 WeakPolarHBondContact O-CB 3.13Å; V258-D262 PolarHBondContact O-N 3.22Å
259	M	98.9	Very high	98.5	Very high	48 Å²	48	26.3 Å²	26.3	24%	0.236	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-38.8	177.1	-74.2	179.5	77.6	0	0	112.1	E54 F245 K248 G255 D256 A257 Y263	E54-M259 HydrophobicContact CB-CG 3.94Å; F245-M259 HydrophobicContact CD1-CB 3.91Å; F245-M259 HydrophobicContact CE1-CB 4.4Å; K248-M259 HydrophobicContact CB-CE 4.14Å; K248-M259 HydrophobicContact CB-SD 4.05Å; G255-M259 WeakPolarHBondContact O-CG 3.48Å; G255-M259 PolarHBondContact O-N 3.18Å; D256-M259 PolarHBondContact O-N 2.87Å; A257-M259 VanDerWaalsContact C-N 3.35Å; A257-M259 PolarHBondContact O-N 2.66Å; M259-Y263 WeakPolarHBondContact O-CB 3.4Å; M259-Y263 PolarHBondContact O-N 2.7Å
260	E	98.9	Very high	98.5	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-71	-39	177.5	-171.5	171.5	-154	0	0	112.4	T205 A241 S242 F245 D256 A257 V258 Y263 S264	T205-E260 HydrophobicContact CG2-CB 4.42Å; T205-E260 HydrophobicContact CG2-CG 3.71Å; A241-E260 WeakPolarHBondContact CA-OE2 3.28Å; S242-E260 WeakPolarHBondContact CB-OE1 3.34Å; S242-E260 PolarHBondContact N-OE2 3.28Å; S242-E260 PolarHBondContact OG-OE1 2.94Å; F245-E260 HydrophobicContact CB-CB 4.22Å; F245-E260 HydrophobicContact CD1-CB 3.94Å; F245-E260 HydrophobicContact CD2-CB 3.72Å; F245-E260 HydrophobicContact CD2-CG 3.61Å; F245-E260 HydrophobicContact CE1-CB 4.22Å; F245-E260 HydrophobicContact CE2-CB 4.03Å; F245-E260 HydrophobicContact CE2-CG 3.65Å; F245-E260 HydrophobicContact CG-CB 3.68Å; F245-E260 HydrophobicContact CG-CG 4.13Å; F245-E260 HydrophobicContact CZ-CB 4.27Å; F245-E260 HydrophobicContact CZ-CG 4.18Å; D256-E260 PolarHBondContact O-N 3.48Å; D256-E260 VanDerWaalsContact O-N 3.12Å; A257-E260 PolarHBondContact O-N 3.3Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-E260 PolarHBondContact O-N 2.94Å; E260-Y263 PolarHBondContact O-N 2.67Å; E260-S264 WeakPolarHBondContact O-CB 3.37Å; E260-S264 PolarHBondContact O-N 3.44Å; E260-S264 PolarHBondContact O-OG 3.15Å
261	L	98.9	Very high	98.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-47.9	173.1	-70.1	171.4	0	0	0	110.6	M37 M40 T205 W230 A232 A234 T235 A257 V258 Y263 S264 V265	M37-L261 HydrophobicContact SD-CD1 4.04Å; M37-L261 HydrophobicContact SD-CD2 4.38Å; M40-L261 HydrophobicContact CE-CD1 4.08Å; T205-L261 HydrophobicContact CG2-CD2 3.82Å; T205-L261 HydrophobicContact CG2-CG 4.45Å; W230-L261 HydrophobicContact CH2-CD2 3.58Å; W230-L261 HydrophobicContact CZ3-CD2 3.91Å; A232-L261 HydrophobicContact CB-CD2 3.7Å; A234-L261 HydrophobicContact CB-CD1 4.48Å; A234-L261 HydrophobicContact CB-CD2 4.46Å; A234-L261 HydrophobicContact CB-CG 4.5Å; T235-L261 HydrophobicContact CG2-CD1 3.62Å; A257-L261 WeakPolarHBondContact O-CG 3.41Å; A257-L261 PolarHBondContact O-N 2.61Å; V258-L261 PolarHBondContact O-N 3.07Å; L261-Y263 PolarHBondContact O-N 2.78Å; L261-S264 WeakPolarHBondContact O-CA 3.5Å; L261-S264 WeakPolarHBondContact O-CB 3.39Å; L261-S264 PolarHBondContact O-N 2.92Å; L261-S264 VanDerWaalsContact O-N 3.07Å; L261-V265 WeakPolarHBondContact O-CG2 3.31Å; L261-V265 PolarHBondContact O-N 2.96Å
262	D	98.9	Very high	98.7	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-56.9	-47.5	175.4	177.3	83.1	0	0	0	111.7	T55 P56 N57 L58 V258 S264 V265 G266	T55-D262 VanDerWaalsContact C-CG 3.49Å; T55-D262 VanDerWaalsContact CA-CG 3.43Å; T55-D262 WeakPolarHBondContact CA-OD1 3.19Å; T55-D262 WeakPolarHBondContact CB-OD1 3.37Å; T55-D262 HydrophobicContact CG2-CB 4.36Å; P56-D262 WeakPolarHBondContact CD-OD2 3.38Å; N57-D262 WeakPolarHBondContact CB-O 3.44Å; N57-D262 WeakPolarHBondContact CB-OD2 3.36Å; N57-D262 PolarHBondContact N-OD1 3.09Å; N57-D262 PolarHBondContact N-OD2 3.21Å; N57-D262 VanDerWaalsContact N-OD2 3.08Å; N57-D262 PolarHBondContact ND2-O 2.73Å; N57-D262 PolarHBondContact ND2-OD2 3.45Å; L58-D262 WeakPolarHBondContact CB-OD1 3.45Å; L58-D262 HydrophobicContact CD1-CB 4.36Å; L58-D262 WeakPolarHBondContact CG-OD1 3.35Å; L58-D262 PolarHBondContact N-OD1 2.82Å; V258-D262 WeakPolarHBondContact O-CB 3.13Å; V258-D262 PolarHBondContact O-N 3.22Å; D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 3.2Å; D262-V265 WeakPolarHBondContact O-CB 3.26Å; D262-V265 PolarHBondContact O-N 3.11Å; D262-G266 PolarHBondContact O-N 3.22Å
263	Y	98.9	Very high	98.8	Very high	101 Å²	101	21.6 Å²	21.6	40%	0.396	10%	0.102	S	C	.	.	H	α-helix	trans	-56.8	-43.9	174.3	172.5	-98.2	0	0	0	111.8	L209 F245 M259 E260 L261 G266 Q267	L209-Y263 HydrophobicContact CD2-CE1 4.26Å; F245-Y263 HydrophobicContact CE1-CG 4.38Å; F245-Y263 HydrophobicContact CE2-CD1 4.43Å; F245-Y263 AromaticContact CZ-CD1 3.83Å; F245-Y263 HydrophobicContact CZ-CD1 3.83Å; F245-Y263 HydrophobicContact CZ-CD2 4.43Å; F245-Y263 AromaticContact CZ-CG 3.73Å; F245-Y263 HydrophobicContact CZ-CG 3.73Å; M259-Y263 WeakPolarHBondContact O-CB 3.4Å; M259-Y263 PolarHBondContact O-N 2.7Å; E260-Y263 PolarHBondContact O-N 2.67Å; L261-Y263 PolarHBondContact O-N 2.78Å; Y263-G266 WeakPolarHBondContact O-CA 3.42Å; Y263-G266 PolarHBondContact O-N 2.84Å; Y263-G266 VanDerWaalsContact O-N 3.16Å; Y263-Q267 HydrophobicContact CD1-CG 4.1Å; Y263-Q267 HydrophobicContact CE1-CG 3.58Å; Y263-Q267 HydrophobicContact CE2-CG 4.09Å; Y263-Q267 WeakPolarHBondContact O-CG 3.37Å; Y263-Q267 PolarHBondContact O-N 2.98Å
264	S	98.9	Very high	98.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-41.7	179.3	-59.6	0	0	0	0	112	E260 L261 D262 G266 Q267 I268	E260-S264 WeakPolarHBondContact O-CB 3.37Å; E260-S264 PolarHBondContact O-N 3.44Å; E260-S264 PolarHBondContact O-OG 3.15Å; L261-S264 WeakPolarHBondContact O-CA 3.5Å; L261-S264 WeakPolarHBondContact O-CB 3.39Å; L261-S264 PolarHBondContact O-N 2.92Å; L261-S264 VanDerWaalsContact O-N 3.07Å; D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 3.2Å; S264-G266 VanDerWaalsContact C-N 3.33Å; S264-G266 PolarHBondContact O-N 2.97Å; S264-Q267 PolarHBondContact O-N 2.72Å; S264-I268 WeakPolarHBondContact O-CG1 3.46Å; S264-I268 PolarHBondContact O-N 2.96Å
265	V	98.9	Very high	98.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-48.1	171.6	173.7	0	0	0	0	110.3	M35 L58 M61 L261 D262 Q267 I268 L269 F285	M35-V265 HydrophobicContact CE-CG1 4.43Å; M35-V265 HydrophobicContact SD-CB 4.3Å; M35-V265 HydrophobicContact SD-CG1 3.97Å; M35-V265 HydrophobicContact SD-CG2 3.7Å; L58-V265 HydrophobicContact CD2-CB 4.43Å; L58-V265 HydrophobicContact CD2-CG1 3.97Å; L58-V265 HydrophobicContact CD2-CG2 4.21Å; M61-V265 HydrophobicContact SD-CG1 4.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.31Å; L261-V265 PolarHBondContact O-N 2.96Å; D262-V265 WeakPolarHBondContact O-CB 3.26Å; D262-V265 PolarHBondContact O-N 3.11Å; V265-Q267 VanDerWaalsContact C-N 3.31Å; V265-Q267 PolarHBondContact O-N 3.27Å; V265-I268 PolarHBondContact O-N 3.15Å; V265-L269 HydrophobicContact CG1-CD1 3.98Å; V265-L269 HydrophobicContact CG1-CG 4.28Å; V265-L269 WeakPolarHBondContact O-CG 3.47Å; V265-L269 PolarHBondContact O-N 2.59Å; V265-F285 HydrophobicContact CG2-CD2 4.39Å; V265-F285 HydrophobicContact CG2-CE2 4.45Å
266	G	98.9	Very high	98.8	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-56.5	-41.9	176.5	0	0	0	0	0	113.3	N57 D262 Y263 S264 S270	N57-G266 WeakPolarHBondContact OD1-CA 3.46Å; D262-G266 PolarHBondContact O-N 3.22Å; Y263-G266 WeakPolarHBondContact O-CA 3.42Å; Y263-G266 PolarHBondContact O-N 2.84Å; Y263-G266 VanDerWaalsContact O-N 3.16Å; S264-G266 VanDerWaalsContact C-N 3.33Å; S264-G266 PolarHBondContact O-N 2.97Å; G266-S270 VanDerWaalsContact O-CB 3.23Å; G266-S270 WeakPolarHBondContact O-CB 3.22Å; G266-S270 PolarHBondContact O-N 2.96Å; G266-S270 PolarHBondContact O-OG 3.3Å
267	Q	98.9	Very high	98.8	Very high	65 Å²	65	31.8 Å²	31.8	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-66.8	-40	177	-66.3	-48.7	-73.8	0	0	112.6	L209 Y263 S264 V265 L271	L209-Q267 HydrophobicContact CD1-CB 3.86Å; L209-Q267 HydrophobicContact CD2-CB 4.15Å; L209-Q267 HydrophobicContact CD2-CG 4.07Å; Y263-Q267 HydrophobicContact CD1-CG 4.1Å; Y263-Q267 HydrophobicContact CE1-CG 3.58Å; Y263-Q267 HydrophobicContact CE2-CG 4.09Å; Y263-Q267 WeakPolarHBondContact O-CG 3.37Å; Y263-Q267 PolarHBondContact O-N 2.98Å; S264-Q267 PolarHBondContact O-N 2.72Å; V265-Q267 VanDerWaalsContact C-N 3.31Å; V265-Q267 PolarHBondContact O-N 3.27Å; Q267-L271 WeakPolarHBondContact O-CB 3.38Å; Q267-L271 PolarHBondContact O-N 2.89Å
268	I	98.9	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-51.6	176.2	-68.4	166.4	0	0	0	110.1	I33 M35 L209 L213 I216 W230 S264 V265 S270 L271 L272	I33-I268 HydrophobicContact CD1-CG2 4.15Å; M35-I268 HydrophobicContact CE-CB 3.91Å; M35-I268 HydrophobicContact CE-CD1 3.85Å; M35-I268 HydrophobicContact CE-CG1 4.49Å; M35-I268 HydrophobicContact CE-CG2 3.55Å; L209-I268 HydrophobicContact CD1-CD1 4.34Å; L209-I268 HydrophobicContact CD1-CG1 3.9Å; L213-I268 HydrophobicContact CD2-CG1 4.01Å; I216-I268 HydrophobicContact CD1-CG2 3.86Å; W230-I268 HydrophobicContact CD2-CD1 4.45Å; S264-I268 WeakPolarHBondContact O-CG1 3.46Å; S264-I268 PolarHBondContact O-N 2.96Å; V265-I268 PolarHBondContact O-N 3.15Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 3.22Å; I268-L271 WeakPolarHBondContact O-CB 3.04Å; I268-L271 PolarHBondContact O-N 3.27Å; I268-L271 VanDerWaalsContact O-N 3.13Å; I268-L272 WeakPolarHBondContact O-CG 3.34Å; I268-L272 PolarHBondContact O-N 3.26Å; I268-L272 VanDerWaalsContact O-N 3.13Å
269	L	98.9	Very high	98.8	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-40.7	179.6	-63.5	-179.1	0	0	0	112	M61 V265 L271 L272 Q273 V283 W325	M61-L269 HydrophobicContact CB-CD1 3.91Å; M61-L269 HydrophobicContact CG-CD1 3.86Å; M61-L269 HydrophobicContact SD-CD1 4.18Å; V265-L269 HydrophobicContact CG1-CD1 3.98Å; V265-L269 HydrophobicContact CG1-CG 4.28Å; V265-L269 WeakPolarHBondContact O-CG 3.47Å; V265-L269 PolarHBondContact O-N 2.59Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 PolarHBondContact O-N 3.02Å; L269-L272 HydrophobicContact CD2-CD1 4.32Å; L269-L272 PolarHBondContact O-N 3.17Å; L269-Q273 PolarHBondContact O-N 3.48Å; L269-V283 HydrophobicContact CD2-CB 4.36Å; L269-V283 HydrophobicContact CD2-CG1 4.16Å; L269-V283 HydrophobicContact CD2-CG2 4.07Å; L269-W325 HydrophobicContact CD2-CD2 4.07Å; L269-W325 HydrophobicContact CD2-CE3 3.9Å; L269-W325 HydrophobicContact CD2-CH2 4.17Å; L269-W325 HydrophobicContact CD2-CZ2 4.37Å; L269-W325 HydrophobicContact CD2-CZ3 3.97Å
270	S	98.9	Very high	98.7	Very high	44 Å²	44	39.7 Å²	39.7	31%	0.308	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-38.7	175.5	-61.1	0	0	0	0	112	G266 I268 Q273 N274	G266-S270 VanDerWaalsContact O-CB 3.23Å; G266-S270 WeakPolarHBondContact O-CB 3.22Å; G266-S270 PolarHBondContact O-N 2.96Å; G266-S270 PolarHBondContact O-OG 3.3Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 3.22Å; S270-Q273 PolarHBondContact O-N 3.23Å; S270-N274 WeakPolarHBondContact O-CB 3.32Å; S270-N274 PolarHBondContact O-N 3.07Å; S270-N274 PolarHBondContact O-ND2 2.6Å; S270-N274 VanDerWaalsContact O-ND2 3.16Å
271	L	98.9	Very high	98.7	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-42.7	175.8	179.1	64.8	0	0	0	111.4	L213 I216 R217 Q267 I268 L269 Q273 N274 L275	L213-L271 HydrophobicContact CB-CD2 3.94Å; L213-L271 HydrophobicContact CD2-CB 3.92Å; L213-L271 HydrophobicContact CD2-CD2 3.52Å; L213-L271 HydrophobicContact CD2-CG 4.34Å; L213-L271 HydrophobicContact CG-CD2 4.31Å; L213-L271 WeakPolarHBondContact O-CD2 3.33Å; I216-L271 HydrophobicContact CB-CD2 4.02Å; I216-L271 HydrophobicContact CG2-CD2 3.87Å; I216-L271 HydrophobicContact CG2-CG 4.33Å; R217-L271 HydrophobicContact CG-CD1 4.22Å; R217-L271 HydrophobicContact CG-CD2 4.15Å; Q267-L271 WeakPolarHBondContact O-CB 3.38Å; Q267-L271 PolarHBondContact O-N 2.89Å; I268-L271 WeakPolarHBondContact O-CB 3.04Å; I268-L271 PolarHBondContact O-N 3.27Å; I268-L271 VanDerWaalsContact O-N 3.13Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 PolarHBondContact O-N 3.02Å; L271-Q273 VanDerWaalsContact C-N 3.3Å; L271-Q273 PolarHBondContact O-N 3.46Å; L271-N274 PolarHBondContact O-N 2.93Å; L271-L275 HydrophobicContact CD1-CD1 3.88Å; L271-L275 HydrophobicContact CD1-CG 3.95Å; L271-L275 HydrophobicContact CD2-CD1 4.41Å; L271-L275 HydrophobicContact CG-CD1 3.84Å; L271-L275 HydrophobicContact CG-CG 4.3Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 WeakPolarHBondContact O-CG 3.19Å; L271-L275 PolarHBondContact O-N 2.73Å
272	L	98.9	Very high	98.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-43.4	177.8	-61	176.3	0	0	0	111.7	I33 I216 F226 I268 L269 L275 G276 I277 E278 T281 V283 W325	I33-L272 HydrophobicContact CD1-CD1 4.07Å; I33-L272 HydrophobicContact CD1-CD2 4.21Å; I216-L272 HydrophobicContact CD1-CD2 4.35Å; I216-L272 HydrophobicContact CG2-CD2 3.89Å; F226-L272 HydrophobicContact CZ-CD2 4.36Å; I268-L272 WeakPolarHBondContact O-CG 3.34Å; I268-L272 PolarHBondContact O-N 3.26Å; I268-L272 VanDerWaalsContact O-N 3.13Å; L269-L272 HydrophobicContact CD2-CD1 4.32Å; L269-L272 PolarHBondContact O-N 3.17Å; L272-L275 PolarHBondContact O-N 3.39Å; L272-G276 PolarHBondContact O-N 3.49Å; L272-G276 VanDerWaalsContact O-N 3.17Å; L272-I277 HydrophobicContact CB-CG1 4.34Å; L272-I277 HydrophobicContact CD2-CD1 3.82Å; L272-I277 HydrophobicContact CD2-CG1 3.97Å; L272-I277 PolarHBondContact O-N 2.92Å; L272-E278 HydrophobicContact CB-CB 4.39Å; L272-E278 PolarHBondContact O-N 3.38Å; L272-T281 HydrophobicContact CD1-CG2 3.69Å; L272-T281 HydrophobicContact CD2-CG2 3.97Å; L272-T281 HydrophobicContact CG-CG2 4.46Å; L272-V283 HydrophobicContact CD1-CG2 3.79Å; L272-W325 HydrophobicContact CB-CH2 4.5Å; L272-W325 HydrophobicContact CD1-CH2 4.21Å; L272-W325 HydrophobicContact CD1-CZ3 3.78Å
273	Q	98.6	Very high	98.7	Very high	87 Å²	87	39.3 Å²	39.3	41%	0.407	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-43.9	176.1	-67.8	175.1	-15.2	0	0	112	L269 S270 L271 L275 G276 E278	L269-Q273 PolarHBondContact O-N 3.48Å; S270-Q273 PolarHBondContact O-N 3.23Å; L271-Q273 VanDerWaalsContact C-N 3.3Å; L271-Q273 PolarHBondContact O-N 3.46Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 2.84Å; Q273-G276 PolarHBondContact O-N 3.26Å; Q273-E278 HydrophobicContact CG-CB 4.09Å; Q273-E278 HydrophobicContact CG-CG 4.24Å
274	N	98.8	Very high	98.7	Very high	136 Å²	136	34.5 Å²	34.5	73%	0.727	19%	0.189	S	C	*	.	H	α-helix	trans	-64.7	-32	179.3	-72.5	-27	0	0	0	112.7	S270 L271 G276	S270-N274 WeakPolarHBondContact O-CB 3.32Å; S270-N274 PolarHBondContact O-N 3.07Å; S270-N274 PolarHBondContact O-ND2 2.6Å; S270-N274 VanDerWaalsContact O-ND2 3.16Å; L271-N274 PolarHBondContact O-N 2.93Å; N274-G276 VanDerWaalsContact C-N 3.31Å
275	L	98.6	Very high	98.7	Very high	65 Å²	65	34.5 Å²	34.5	34%	0.34	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.1	174.2	-66.8	175.7	0	0	0	112.9	I216 R217 T220 L271 L272 Q273 I277	I216-L275 HydrophobicContact CG2-CD1 3.9Å; R217-L275 HydrophobicContact CG-CD1 4.4Å; T220-L275 HydrophobicContact CG2-CB 4.42Å; T220-L275 HydrophobicContact CG2-CD1 4.29Å; L271-L275 HydrophobicContact CD1-CD1 3.88Å; L271-L275 HydrophobicContact CD1-CG 3.95Å; L271-L275 HydrophobicContact CD2-CD1 4.41Å; L271-L275 HydrophobicContact CG-CD1 3.84Å; L271-L275 HydrophobicContact CG-CG 4.3Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 WeakPolarHBondContact O-CG 3.19Å; L271-L275 PolarHBondContact O-N 2.73Å; L272-L275 PolarHBondContact O-N 3.39Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 2.84Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 HydrophobicContact CB-CD1 4.23Å; L275-I277 HydrophobicContact CB-CG1 4.11Å; L275-I277 HydrophobicContact CB-CG2 4.41Å; L275-I277 HydrophobicContact CD1-CD1 4.19Å; L275-I277 PolarHBondContact O-N 3.46Å
276	G	98.2	Very high	98.7	Very high	55 Å²	55	34.5 Å²	34.5	57%	0.567	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	26.4	-178.5	0	0	0	0	0	114.1	L272 Q273 N274 E278	L272-G276 PolarHBondContact O-N 3.49Å; L272-G276 VanDerWaalsContact O-N 3.17Å; Q273-G276 PolarHBondContact O-N 3.26Å; N274-G276 VanDerWaalsContact C-N 3.31Å; G276-E278 WeakPolarHBondContact CA-OE2 3.36Å
277	I	98.5	Very high	98.7	Very high	25 Å²	25	34.3 Å²	34.3	13%	0.128	19%	0.187	C	C	.	.			trans	-111.6	6.4	-178	67	179	0	0	0	112.8	I216 T220 F226 L272 L275 K279 N280 T281	I216-I277 HydrophobicContact CG2-CD1 4.19Å; T220-I277 HydrophobicContact CG2-CD1 4.22Å; T220-I277 HydrophobicContact CG2-CG2 3.9Å; T220-I277 VanDerWaalsContact OG1-CD1 3.24Å; T220-I277 WeakPolarHBondContact OG1-CD1 3.16Å; F226-I277 HydrophobicContact CE1-CD1 4.22Å; F226-I277 HydrophobicContact CZ-CD1 4.48Å; L272-I277 HydrophobicContact CB-CG1 4.34Å; L272-I277 HydrophobicContact CD2-CD1 3.82Å; L272-I277 HydrophobicContact CD2-CG1 3.97Å; L272-I277 PolarHBondContact O-N 2.92Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 HydrophobicContact CB-CD1 4.23Å; L275-I277 HydrophobicContact CB-CG1 4.11Å; L275-I277 HydrophobicContact CB-CG2 4.41Å; L275-I277 HydrophobicContact CD1-CD1 4.19Å; L275-I277 PolarHBondContact O-N 3.46Å; I277-K279 VanDerWaalsContact C-N 3.25Å; I277-K279 PolarHBondContact O-N 2.83Å; I277-N280 CarbonylContact O-C 3.46Å; I277-N280 PolarHBondContact O-N 2.87Å; I277-T281 WeakPolarHBondContact O-CB 3.33Å; I277-T281 PolarHBondContact O-N 2.78Å; I277-T281 PolarHBondContact O-OG1 3.09Å
278	E	98.5	Very high	98.7	Very high	37 Å²	37	31.2 Å²	31.2	17%	0.173	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.9	-37.2	-178.2	74.6	-67.5	166.8	0	0	112.3	L272 Q273 G276 N280 T281 W325 P327	L272-E278 HydrophobicContact CB-CB 4.39Å; L272-E278 PolarHBondContact O-N 3.38Å; Q273-E278 HydrophobicContact CG-CB 4.09Å; Q273-E278 HydrophobicContact CG-CG 4.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.36Å; E278-N280 PolarHBondContact O-N 3.35Å; E278-T281 PolarHBondContact O-N 3.37Å; E278-W325 HydrophobicContact CB-CH2 3.64Å; E278-W325 HydrophobicContact CB-CZ2 4.38Å; E278-W325 HydrophobicContact CB-CZ3 4.39Å; E278-P327 HydrophobicContact CB-CG 4.3Å; E278-P327 HydrophobicContact CG-CB 4.21Å; E278-P327 HydrophobicContact CG-CG 4.19Å
279	K	97.9	Very high	98.7	Very high	129 Å²	129	31.2 Å²	31.2	56%	0.561	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-72.9	-16.3	177.4	-62.4	-179	-174.1	176.9	0	113.3	I277 W326 P327 H329	I277-K279 VanDerWaalsContact C-N 3.25Å; I277-K279 PolarHBondContact O-N 2.83Å; K279-W326 PolarHBondContact O-NE1 3.31Å; K279-P327 WeakPolarHBondContact CA-O 3.47Å; K279-H329 PolarHBondContact O-CD2 3.33Å; K279-H329 VanDerWaalsContact O-CD2 3.28Å; K279-H329 PolarHBondContact O-NE2 2.87Å; K279-H329 VanDerWaalsContact O-NE2 3.11Å
280	N	98.3	Very high	98.7	Very high	49 Å²	49	30.7 Å²	30.7	26%	0.262	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-108.9	18.3	175.9	-165.4	63.1	0	0	0	111.9	S28 P30 N31 I277 E278	S28-N280 PolarHBondContact O-OD1 2.96Å; S28-N280 PolarHBondContact OG-OD1 3.12Å; P30-N280 CarbonylContact C-O 3.55Å; P30-N280 WeakPolarHBondContact CA-O 3.29Å; N31-N280 PolarHBondContact N-O 2.55Å; N31-N280 PolarHBondContact ND2-O 3.31Å; I277-N280 CarbonylContact O-C 3.46Å; I277-N280 PolarHBondContact O-N 2.87Å; E278-N280 PolarHBondContact O-N 3.35Å
281	T	98.8	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	114.3	-177.3	-53.2	0	0	0	0	110.8	N31 I33 L272 I277 E278 V283	N31-T281 HydrophobicContact CB-CG2 3.82Å; N31-T281 PolarHBondContact ND2-OG1 3.24Å; N31-T281 VanDerWaalsContact ND2-OG1 3.09Å; N31-T281 CarbonylContact O-C 3.57Å; N31-T281 WeakPolarHBondContact O-CA 3.43Å; I33-T281 HydrophobicContact CD1-CG2 3.97Å; I33-T281 HydrophobicContact CG1-CG2 4.04Å; L272-T281 HydrophobicContact CD1-CG2 3.69Å; L272-T281 HydrophobicContact CD2-CG2 3.97Å; L272-T281 HydrophobicContact CG-CG2 4.46Å; I277-T281 WeakPolarHBondContact O-CB 3.33Å; I277-T281 PolarHBondContact O-N 2.78Å; I277-T281 PolarHBondContact O-OG1 3.09Å; E278-T281 PolarHBondContact O-N 3.37Å; T281-V283 HydrophobicContact CG2-CG2 3.99Å
282	F	98.9	Very high	98.6	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.5	170.4	174.1	-101.6	0	0	0	109.8	N31 I32 I33 F284 A324 W326 I330 L352 L372	N31-F282 PolarHBondContact O-N 3.34Å; I32-F282 CarbonylContact C-O 3.32Å; I32-F282 WeakPolarHBondContact CA-O 3.39Å; I32-F282 HydrophobicContact CG2-CD1 4.38Å; I33-F282 PolarHBondContact N-O 3.25Å; F282-F284 HydrophobicContact CE1-CB 3.98Å; F282-F284 HydrophobicContact CE1-CD2 4.42Å; F282-F284 HydrophobicContact CZ-CB 4.18Å; F282-F284 AromaticContact CZ-CD2 3.86Å; F282-F284 HydrophobicContact CZ-CD2 3.86Å; F282-A324 HydrophobicContact CE2-CB 4.08Å; F282-A324 HydrophobicContact CZ-CB 4.36Å; F282-W326 HydrophobicContact CB-CD2 4.08Å; F282-W326 HydrophobicContact CB-CE3 4.1Å; F282-W326 HydrophobicContact CB-CG 4.39Å; F282-W326 HydrophobicContact CD2-CB 4.2Å; F282-W326 HydrophobicContact CD2-CD2 4.35Å; F282-W326 AromaticContact CD2-CE3 3.86Å; F282-W326 HydrophobicContact CD2-CE3 3.86Å; F282-W326 HydrophobicContact CG-CE3 4.41Å; F282-I330 HydrophobicContact CD2-CD1 4.37Å; F282-I330 HydrophobicContact CE2-CD1 4.11Å; F282-L352 HydrophobicContact CB-CD1 3.92Å; F282-L352 HydrophobicContact CD1-CD1 3.52Å; F282-L352 HydrophobicContact CD2-CD1 3.94Å; F282-L352 HydrophobicContact CE1-CD1 3.92Å; F282-L352 HydrophobicContact CE2-CD1 4.31Å; F282-L352 HydrophobicContact CG-CD1 3.51Å; F282-L352 HydrophobicContact CZ-CD1 4.29Å; F282-L372 HydrophobicContact CE2-CD1 3.97Å; F282-L372 HydrophobicContact CZ-CD1 4.05Å
283	V	98.9	Very high	98.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.1	178.4	-173.5	0	0	0	0	109.6	I33 M35 M61 L269 L272 T281 W325	I33-V283 HydrophobicContact CB-CB 4.45Å; I33-V283 HydrophobicContact CB-CG1 4.17Å; I33-V283 HydrophobicContact CB-CG2 4.13Å; I33-V283 HydrophobicContact CD1-CG2 4.25Å; I33-V283 HydrophobicContact CG1-CG2 4.4Å; I33-V283 HydrophobicContact CG2-CG1 4.28Å; I33-V283 CarbonylContact O-C 3.53Å; I33-V283 WeakPolarHBondContact O-CA 3.12Å; M35-V283 HydrophobicContact CE-CG1 3.82Å; M35-V283 HydrophobicContact SD-CG1 4.2Å; M61-V283 HydrophobicContact CE-CB 4.18Å; M61-V283 HydrophobicContact CE-CG1 3.77Å; L269-V283 HydrophobicContact CD2-CB 4.36Å; L269-V283 HydrophobicContact CD2-CG1 4.16Å; L269-V283 HydrophobicContact CD2-CG2 4.07Å; L272-V283 HydrophobicContact CD1-CG2 3.79Å; T281-V283 HydrophobicContact CG2-CG2 3.99Å; V283-W325 HydrophobicContact CB-CB 4.45Å; V283-W325 HydrophobicContact CB-CE3 3.94Å; V283-W325 HydrophobicContact CG2-CE3 3.58Å; V283-W325 HydrophobicContact CG2-CZ3 3.83Å; V283-W325 PolarHBondContact N-O 3.13Å; V283-W325 PolarHBondContact O-N 3.4Å
284	F	98.9	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.7	174.2	-158.8	-84.4	0	0	0	110.6	I33 M35 L68 F71 F282 T286 A322 I323 A324 L345	I33-F284 PolarHBondContact O-N 3.43Å; M35-F284 PolarHBondContact N-O 3.49Å; L68-F284 HydrophobicContact CD1-CE2 4.06Å; L68-F284 HydrophobicContact CD1-CZ 4.2Å; F71-F284 HydrophobicContact CD2-CE1 4.47Å; F71-F284 AromaticContact CD2-CZ 3.94Å; F71-F284 HydrophobicContact CD2-CZ 3.94Å; F71-F284 HydrophobicContact CE1-CE1 4.36Å; F71-F284 AromaticContact CE2-CE1 3.77Å; F71-F284 HydrophobicContact CE2-CE1 3.77Å; F71-F284 AromaticContact CE2-CZ 3.42Å; F71-F284 HydrophobicContact CE2-CZ 3.42Å; F71-F284 VanDerWaalsContact CE2-CZ 3.42Å; F71-F284 AromaticContact CZ-CE1 3.67Å; F71-F284 HydrophobicContact CZ-CE1 3.67Å; F71-F284 AromaticContact CZ-CZ 3.85Å; F71-F284 HydrophobicContact CZ-CZ 3.85Å; F282-F284 HydrophobicContact CE1-CB 3.98Å; F282-F284 HydrophobicContact CE1-CD2 4.42Å; F282-F284 HydrophobicContact CZ-CB 4.18Å; F282-F284 AromaticContact CZ-CD2 3.86Å; F282-F284 HydrophobicContact CZ-CD2 3.86Å; F284-T286 HydrophobicContact CD1-CG2 4.14Å; F284-T286 HydrophobicContact CE1-CG2 3.99Å; F284-A322 HydrophobicContact CE1-CB 4.21Å; F284-A322 HydrophobicContact CZ-CB 4.03Å; F284-I323 WeakPolarHBondContact CA-O 3.47Å; F284-A324 HydrophobicContact CD2-CB 3.67Å; F284-A324 HydrophobicContact CE2-CB 3.87Å; F284-L345 HydrophobicContact CB-CD2 4.29Å; F284-L345 HydrophobicContact CD1-CD1 3.68Å; F284-L345 HydrophobicContact CD1-CD2 3.57Å; F284-L345 HydrophobicContact CD1-CG 4.27Å; F284-L345 HydrophobicContact CD2-CD2 3.65Å; F284-L345 HydrophobicContact CE1-CD1 3.95Å; F284-L345 HydrophobicContact CE1-CD2 3.69Å; F284-L345 HydrophobicContact CE1-CG 4.34Å; F284-L345 HydrophobicContact CE2-CD2 3.76Å; F284-L345 HydrophobicContact CG-CD1 4.32Å; F284-L345 HydrophobicContact CG-CD2 3.55Å; F284-L345 HydrophobicContact CZ-CD2 3.79Å
285	F	98.9	Very high	98.2	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.8	175.7	172.5	-87.3	0	0	0	110.2	M35 M37 M40 L45 L58 M61 V265 P321 A322 I323	M35-F285 HydrophobicContact CB-CB 4.49Å; M35-F285 HydrophobicContact CB-CD2 4.04Å; M35-F285 WeakPolarHBondContact O-CA 3.48Å; M37-F285 HydrophobicContact CE-CD2 4.35Å; M37-F285 HydrophobicContact CE-CE2 3.97Å; M37-F285 HydrophobicContact CG-CD2 4.43Å; M37-F285 HydrophobicContact CG-CE2 3.48Å; M37-F285 VanDerWaalsContact CG-CE2 3.48Å; M37-F285 HydrophobicContact CG-CZ 3.53Å; M37-F285 HydrophobicContact SD-CE2 3.63Å; M37-F285 HydrophobicContact SD-CZ 4.2Å; M40-F285 HydrophobicContact CE-CZ 4.46Å; M40-F285 HydrophobicContact SD-CE1 4.36Å; M40-F285 HydrophobicContact SD-CZ 3.75Å; L45-F285 HydrophobicContact CD1-CE1 4.15Å; L45-F285 HydrophobicContact CD1-CZ 4.37Å; L45-F285 HydrophobicContact CD2-CE1 3.97Å; L58-F285 HydrophobicContact CD1-CE1 4.21Å; L58-F285 HydrophobicContact CD1-CE2 3.89Å; L58-F285 HydrophobicContact CD1-CZ 3.63Å; L58-F285 HydrophobicContact CD2-CB 4.38Å; L58-F285 HydrophobicContact CD2-CD1 3.84Å; L58-F285 HydrophobicContact CD2-CD2 3.47Å; L58-F285 VanDerWaalsContact CD2-CD2 3.47Å; L58-F285 HydrophobicContact CD2-CE1 3.92Å; L58-F285 HydrophobicContact CD2-CE2 3.53Å; L58-F285 HydrophobicContact CD2-CG 3.62Å; L58-F285 HydrophobicContact CD2-CZ 3.76Å; L58-F285 HydrophobicContact CG-CE2 4.36Å; L58-F285 HydrophobicContact CG-CZ 4.37Å; M61-F285 HydrophobicContact CE-CB 3.94Å; M61-F285 HydrophobicContact SD-CB 4.06Å; V265-F285 HydrophobicContact CG2-CD2 4.39Å; V265-F285 HydrophobicContact CG2-CE2 4.45Å; F285-P321 HydrophobicContact CE1-CB 4.32Å; F285-P321 HydrophobicContact CE1-CG 4.28Å; F285-A322 VanDerWaalsContact O-CA 3.29Å; F285-A322 WeakPolarHBondContact O-CA 3.45Å; F285-I323 HydrophobicContact CB-CB 4.4Å; F285-I323 HydrophobicContact CD1-CD1 4.28Å; F285-I323 PolarHBondContact N-O 3.36Å; F285-I323 PolarHBondContact O-N 2.92Å
286	T	98.9	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	-171	171.9	-163.8	0	0	0	0	112.9	M35 L36 M37 F71 F284 P321 L345	M35-T286 PolarHBondContact O-N 3.04Å; L36-T286 WeakPolarHBondContact CA-O 3.34Å; L36-T286 HydrophobicContact CD1-CG2 3.72Å; M37-T286 WeakPolarHBondContact CG-O 3.31Å; M37-T286 PolarHBondContact N-O 2.76Å; F71-T286 WeakPolarHBondContact CD1-OG1 3.27Å; F71-T286 HydrophobicContact CE1-CG2 4.03Å; F71-T286 WeakPolarHBondContact CE1-OG1 3.41Å; F71-T286 HydrophobicContact CZ-CG2 4.34Å; F284-T286 HydrophobicContact CD1-CG2 4.14Å; F284-T286 HydrophobicContact CE1-CG2 3.99Å; T286-P321 WeakPolarHBondContact CA-O 3.11Å; T286-P321 WeakPolarHBondContact CB-O 3.48Å; T286-P321 PolarHBondContact OG1-O 3.12Å; T286-L345 HydrophobicContact CG2-CD1 4.19Å
287	S	98.9	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158	179	-172.3	0	0	0	0	111.1	M40 N289	M40-S287 PolarHBondContact N-OG 2.87Å; M40-S287 WeakPolarHBondContact O-CB 3.32Å; M40-S287 PolarHBondContact O-OG 3.26Å; S287-N289 PolarHBondContact OG-O 2.81Å
288	D	98.6	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-84.7	-23.5	-179.5	65.8	-8.3	0	0	0	114.3	L36 M37 D38 D39 T73 C78 S81 R82	L36-D288 HydrophobicContact CD1-CB 4.25Å; L36-D288 HydrophobicContact CD2-CB 4.05Å; L36-D288 HydrophobicContact CG-CB 4.22Å; M37-D288 PolarHBondContact O-N 3.36Å; M37-D288 VanDerWaalsContact O-N 3.16Å; D38-D288 WeakPolarHBondContact CA-OD1 3.28Å; D39-D288 PolarHBondContact N-OD1 3.11Å; T73-D288 VanDerWaalsContact CB-O 3.27Å; T73-D288 WeakPolarHBondContact CB-O 3.49Å; T73-D288 WeakPolarHBondContact CG2-O 3.22Å; T73-D288 PolarHBondContact OG1-O 3.13Å; C78-D288 WeakPolarHBondContact CA-OD2 2.98Å; C78-D288 VanDerWaalsContact CB-OD2 3.27Å; C78-D288 WeakPolarHBondContact CB-OD2 3.38Å; S81-D288 WeakPolarHBondContact CB-O 3.42Å; S81-D288 PolarHBondContact OG-O 2.92Å; R82-D288 HydrophobicContact CG-CB 4.37Å; R82-D288 IonicContact CZ-OD2 3.51Å; R82-D288 VanDerWaalsContact CZ-OD2 3.23Å; R82-D288 IonicContact NE-OD2 2.69Å; R82-D288 PolarHBondContact NE-OD2 3.4Å; R82-D288 IonicContact NH2-OD2 3.51Å; R82-D288 PolarHBondContact NH2-OD2 2.95Å
289	N	98.8	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-163.4	171.4	171.3	52.4	-114.8	0	0	0	110.6	D39 L77 C78 S287 E320	D39-N289 PolarHBondContact OD1-ND2 3.28Å; L77-N289 VanDerWaalsContact C-OD1 3.25Å; L77-N289 WeakPolarHBondContact CA-OD1 3.14Å; C78-N289 PolarHBondContact N-OD1 3.04Å; C78-N289 PolarHBondContact SG-OD1 3.26Å; S287-N289 PolarHBondContact OG-O 2.81Å; N289-E320 VanDerWaalsContact C-CD 3.41Å; N289-E320 WeakPolarHBondContact CA-OE1 3.48Å
290	G	98.7	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-62.6	171.3	176.8	0	0	0	0	0	113.9	G316 G317 E320	G290-G316 WeakPolarHBondContact CA-O 3.49Å; G290-G317 PolarHBondContact N-O 3.46Å; G290-G317 VanDerWaalsContact N-O 3.08Å; G290-E320 PolarHBondContact N-OE1 3.48Å; G290-E320 PolarHBondContact N-OE2 3Å
291	A	98.7	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.			trans	-61.1	138.9	-177.6	0	0	0	0	0	112.2	L293 G301 N303 K310	A291-L293 VanDerWaalsContact C-N 3.31Å; A291-L293 HydrophobicContact CB-CD2 4.09Å; A291-L293 PolarHBondContact O-N 3.47Å; A291-G301 VanDerWaalsContact CB-C 3.45Å; A291-N303 VanDerWaalsContact CB-OD1 3.28Å; A291-N303 WeakPolarHBondContact CB-OD1 3.45Å; A291-N303 PolarHBondContact N-OD1 3.49Å; A291-K310 PolarHBondContact O-N 3.37Å
292	A	98.3	Very high	95.7	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.041	15%	0.148	C	C	.	.			trans	-76.7	75.1	175.7	0	0	0	0	0	111.8	D39 M294 S295 S300 K310	D39-A292 HydrophobicContact CB-CB 4.13Å; D39-A292 WeakPolarHBondContact OD2-CB 3.43Å; A292-M294 PolarHBondContact O-N 3.24Å; A292-S295 WeakPolarHBondContact O-CB 3.37Å; A292-S295 PolarHBondContact O-N 2.83Å; A292-S295 PolarHBondContact O-OG 3.12Å; A292-S300 WeakPolarHBondContact O-CB 3.46Å; A292-S300 PolarHBondContact O-OG 3.29Å; A292-K310 HydrophobicContact CB-CB 4.37Å; A292-K310 HydrophobicContact CB-CD 3.8Å
293	L	98	Very high	95.7	Very high	28 Å²	28	24.7 Å²	24.7	15%	0.147	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-56.7	-27.2	-172.8	-59.9	-173.8	0	0	0	114.5	A291 S295 G296 S300 C308 P422	A291-L293 VanDerWaalsContact C-N 3.31Å; A291-L293 HydrophobicContact CB-CD2 4.09Å; A291-L293 PolarHBondContact O-N 3.47Å; L293-S295 PolarHBondContact O-N 2.83Å; L293-G296 PolarHBondContact O-N 3.16Å; L293-G296 VanDerWaalsContact O-N 3.09Å; L293-S300 WeakPolarHBondContact CA-OG 3.35Å; L293-C308 VanDerWaalsContact CD1-C 3.5Å; L293-C308 WeakPolarHBondContact CD1-O 3.32Å; L293-P422 HydrophobicContact CB-CG 3.77Å; L293-P422 HydrophobicContact CD1-CG 4.31Å
294	M	94.8	Very high	95.7	Very high	78 Å²	78	26.6 Å²	26.6	38%	0.384	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-62.6	-21.1	174	63.7	-132.6	-85.2	0	0	114.3	A292 G296 I418 F420	A292-M294 PolarHBondContact O-N 3.24Å; M294-G296 VanDerWaalsContact C-N 3.29Å; M294-I418 HydrophobicContact CE-CG2 4.2Å; M294-F420 HydrophobicContact CE-CD1 4.11Å; M294-F420 HydrophobicContact CE-CE1 3.45Å; M294-F420 VanDerWaalsContact CE-CE1 3.45Å; M294-F420 HydrophobicContact CE-CZ 4.41Å; M294-F420 HydrophobicContact SD-CD1 3.91Å; M294-F420 HydrophobicContact SD-CE1 3.84Å
295	S	93.8	Very high	95.7	Very high	33 Å²	33	29.9 Å²	29.9	23%	0.231	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-87.5	-0.7	176.9	-49.4	0	0	0	0	112.3	A292 L293 E299	A292-S295 WeakPolarHBondContact O-CB 3.37Å; A292-S295 PolarHBondContact O-N 2.83Å; A292-S295 PolarHBondContact O-OG 3.12Å; L293-S295 PolarHBondContact O-N 2.83Å; S295-E299 VanDerWaalsContact CB-O 3.31Å; S295-E299 WeakPolarHBondContact CB-O 3.47Å; S295-E299 CarbonylContact O-C 3.38Å; S295-E299 WeakPolarHBondContact O-CA 3.46Å; S295-E299 WeakPolarHBondContact O-CB 3.22Å; S295-E299 PolarHBondContact O-N 3.4Å
296	G	87.2	Confident	95.7	Very high	32 Å²	32	30.1 Å²	30.1	33%	0.33	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	167.1	-175	0	0	0	0	0	114.5	L293 M294 S300	L293-G296 PolarHBondContact O-N 3.16Å; L293-G296 VanDerWaalsContact O-N 3.09Å; M294-G296 VanDerWaalsContact C-N 3.29Å; G296-S300 VanDerWaalsContact CA-CB 3.44Å
297	P	82	Confident	95.6	Very high	104 Å²	104	30.3 Å²	30.3	68%	0.675	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.1	-12.6	-2.5	31.7	-35.2	0	0	0	114.8
298	Q	83.4	Confident	95.6	Very high	125 Å²	125	30.3 Å²	30.3	58%	0.584	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-22.5	-172.1	-64.4	82.9	3.2	0	0	114.6	Y254	Y254-Q298 PolarHBondContact N-O 2.93Å; Y254-Q298 VanDerWaalsContact N-O 3.16Å
299	E	92.9	Very high	95.6	Very high	32 Å²	32	30.3 Å²	30.3	15%	0.15	19%	0.192	C	C	.	.	S	Bend	trans	-126.6	24	-175.4	-63.6	-163.5	-176.6	0	0	113	S237 P238 V239 R253 S295	S237-E299 WeakPolarHBondContact CB-OE2 3.44Å; S237-E299 PolarHBondContact OG-OE2 3.33Å; P238-E299 WeakPolarHBondContact CA-OE2 3.35Å; V239-E299 HydrophobicContact CB-CB 4.39Å; V239-E299 HydrophobicContact CB-CG 4.19Å; V239-E299 HydrophobicContact CG2-CB 3.72Å; V239-E299 HydrophobicContact CG2-CG 4.07Å; V239-E299 PolarHBondContact N-OE2 2.94Å; R253-E299 IonicContact CZ-OE1 2.72Å; R253-E299 IonicContact NH1-OE1 3.15Å; R253-E299 PolarHBondContact NH1-OE1 2.88Å; S295-E299 VanDerWaalsContact CB-O 3.31Å; S295-E299 WeakPolarHBondContact CB-O 3.47Å; S295-E299 CarbonylContact O-C 3.38Å; S295-E299 WeakPolarHBondContact O-CA 3.46Å; S295-E299 WeakPolarHBondContact O-CB 3.22Å; S295-E299 PolarHBondContact O-N 3.4Å
300	S	95.8	Very high	95.6	Very high	14 Å²	14	31 Å²	31	10%	0.098	20%	0.195	C	C	.	.			trans	-124.3	147.3	177.4	175.6	0	0	0	0	111.9	Y254 A292 L293 G296	Y254-S300 VanDerWaalsContact CD2-C 3.45Å; Y254-S300 VanDerWaalsContact CG-C 3.47Å; A292-S300 WeakPolarHBondContact O-CB 3.46Å; A292-S300 PolarHBondContact O-OG 3.29Å; L293-S300 WeakPolarHBondContact CA-OG 3.35Å; G296-S300 VanDerWaalsContact CA-CB 3.44Å
301	G	97.8	Very high	95.6	Very high	10 Å²	10	31.5 Å²	31.5	10%	0.103	20%	0.197	C	C	.	.			trans	-78	-164.4	164.3	0	0	0	0	0	113.5	D44 Y254 A291	D44-G301 VanDerWaalsContact OD1-CA 3.25Å; D44-G301 WeakPolarHBondContact OD1-CA 3.46Å; D44-G301 WeakPolarHBondContact OD2-CA 3.31Å; Y254-G301 VanDerWaalsContact CE2-N 3.29Å; A291-G301 VanDerWaalsContact CB-C 3.45Å
302	S	98.3	Very high	95.6	Very high	49 Å²	49	31.5 Å²	31.5	34%	0.343	20%	0.197	S	C	.	.			trans	-131.4	137.4	-178.8	177.6	0	0	0	0	110.7	G41 G43 D44 G304	G41-S302 CarbonylContact C-O 3.57Å; G41-S302 VanDerWaalsContact C-O 3.32Å; G41-S302 WeakPolarHBondContact CA-O 3.21Å; G43-S302 CarbonylContact C-O 3.59Å; G43-S302 VanDerWaalsContact CA-O 3.24Å; G43-S302 WeakPolarHBondContact CA-O 3.39Å; G43-S302 PolarHBondContact N-O 3.5Å; D44-S302 PolarHBondContact OD1-N 3.02Å; D44-S302 PolarHBondContact OD2-N 3.23Å; S302-G304 VanDerWaalsContact C-N 3.3Å; S302-G304 PolarHBondContact OG-N 3.38Å; S302-G304 VanDerWaalsContact OG-N 3.15Å
303	N	98.6	Very high	95.6	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	20%	0.196	C	C	.	.			trans	-94	12	173.6	-59.3	-39.6	0	0	0	112.3	G41 A291 F306 C308 G309 G316	G41-N303 VanDerWaalsContact CA-OD1 3.27Å; G41-N303 WeakPolarHBondContact CA-OD1 3.36Å; A291-N303 VanDerWaalsContact CB-OD1 3.28Å; A291-N303 WeakPolarHBondContact CB-OD1 3.45Å; A291-N303 PolarHBondContact N-OD1 3.49Å; N303-F306 HydrophobicContact CB-CB 4.49Å; N303-F306 WeakPolarHBondContact O-CB 3.2Å; N303-F306 WeakPolarHBondContact O-CD2 3.41Å; N303-F306 PolarHBondContact O-N 3.34Å; N303-C308 PolarHBondContact ND2-O 3.3Å; N303-G309 WeakPolarHBondContact ND2-CA 3.44Å; N303-G316 PolarHBondContact ND2-O 3.39Å; N303-G316 PolarHBondContact OD1-O 3.1Å
304	G	98.2	Very high	95.7	Very high	41 Å²	41	30 Å²	30	42%	0.423	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-124	178	0	0	0	0	0	111.7	S302 F306	S302-G304 VanDerWaalsContact C-N 3.3Å; S302-G304 PolarHBondContact OG-N 3.38Å; S302-G304 VanDerWaalsContact OG-N 3.15Å; G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 3.27Å
305	P	98.3	Very high	95.9	Very high	68 Å²	68	26.2 Å²	26.2	44%	0.442	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.4	-178.5	35.2	-36.2	0	0	0	114
306	F	98.8	Very high	96.1	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	-87.2	153.4	-168.8	-57.3	-57.4	0	0	0	113.1	W42 N303 G304 E315 R319 Q424 P450	W42-F306 HydrophobicContact CB-CD2 3.96Å; W42-F306 HydrophobicContact CB-CE2 3.96Å; W42-F306 AromaticContact CD1-CE2 3.91Å; W42-F306 HydrophobicContact CD2-CD2 4.3Å; W42-F306 AromaticContact CD2-CE2 3.49Å; W42-F306 HydrophobicContact CD2-CE2 3.49Å; W42-F306 VanDerWaalsContact CD2-CE2 3.49Å; W42-F306 HydrophobicContact CD2-CZ 4.39Å; W42-F306 AromaticContact CE2-CE2 3.84Å; W42-F306 AromaticContact CE3-CE2 3.87Å; W42-F306 HydrophobicContact CE3-CE2 3.87Å; W42-F306 HydrophobicContact CG-CD2 4.05Å; W42-F306 AromaticContact CG-CE2 3.53Å; W42-F306 HydrophobicContact CG-CE2 3.53Å; W42-F306 HydrophobicContact CZ2-CE2 4.49Å; N303-F306 HydrophobicContact CB-CB 4.49Å; N303-F306 WeakPolarHBondContact O-CB 3.2Å; N303-F306 WeakPolarHBondContact O-CD2 3.41Å; N303-F306 PolarHBondContact O-N 3.34Å; G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 3.27Å; F306-E315 HydrophobicContact CB-CB 3.74Å; F306-E315 HydrophobicContact CD1-CB 3.58Å; F306-E315 HydrophobicContact CD1-CG 4.15Å; F306-E315 HydrophobicContact CE1-CB 4.47Å; F306-E315 HydrophobicContact CG-CB 3.81Å; F306-R319 VanDerWaalsContact CE1-NH1 3.32Å; F306-R319 HydrophobicContact CE2-CG 4.35Å; F306-Q424 PolarHBondContact O-NE2 3.02Å; F306-P450 HydrophobicContact CD1-CB 4.14Å; F306-P450 VanDerWaalsContact CD1-O 3.31Å; F306-P450 WeakPolarHBondContact CD1-O 3.24Å; F306-P450 HydrophobicContact CE1-CB 3.72Å
307	L	98.8	Very high	96.7	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	14%	0.144	C	C	.	.	S	Bend	trans	-79	136.4	-176.8	-177.1	60.2	0	0	0	111.6	F314 G316 Q424 V426 V429 T430 G451 E452	L307-F314 HydrophobicContact CB-CB 4.17Å; L307-F314 HydrophobicContact CD2-CB 4.49Å; L307-F314 HydrophobicContact CD2-CD1 3.72Å; L307-F314 HydrophobicContact CD2-CD2 4.5Å; L307-F314 HydrophobicContact CD2-CE1 4.05Å; L307-F314 HydrophobicContact CD2-CG 3.98Å; L307-F314 HydrophobicContact CG-CB 4.27Å; L307-F314 HydrophobicContact CG-CD1 4.36Å; L307-F314 HydrophobicContact CG-CD2 4.49Å; L307-F314 HydrophobicContact CG-CG 4.12Å; L307-F314 VanDerWaalsContact O-CB 3.26Å; L307-F314 WeakPolarHBondContact O-CB 3.3Å; L307-G316 VanDerWaalsContact O-CA 3.24Å; L307-G316 WeakPolarHBondContact O-CA 3.46Å; L307-G316 PolarHBondContact O-N 3.38Å; L307-Q424 HydrophobicContact CD1-CB 3.99Å; L307-V426 HydrophobicContact CD1-CG2 4.01Å; L307-V426 HydrophobicContact CD2-CG2 4.16Å; L307-V429 HydrophobicContact CD2-CG1 4.26Å; L307-T430 HydrophobicContact CD1-CG2 3.96Å; L307-T430 HydrophobicContact CD2-CG2 3.9Å; L307-T430 HydrophobicContact CG-CG2 4.21Å; L307-G451 WeakPolarHBondContact CB-O 3.41Å; L307-E452 HydrophobicContact CB-CB 4.44Å; L307-E452 HydrophobicContact CD2-CB 3.89Å
308	C	98.7	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.112	C	C	.	.			trans	56.1	-160.6	177.4	-56.2	0	0	0	0	113.3	L293 N303 T312 F314 G316 F420 C421	L293-C308 VanDerWaalsContact CD1-C 3.5Å; L293-C308 WeakPolarHBondContact CD1-O 3.32Å; N303-C308 PolarHBondContact ND2-O 3.3Å; C308-T312 HydrophobicContact CB-CG2 4.08Å; C308-T312 WeakPolarHBondContact CB-OG1 3.47Å; C308-F314 HydrophobicContact CB-CB 4.25Å; C308-F314 HydrophobicContact CB-CD2 3.8Å; C308-F314 HydrophobicContact CB-CG 4.42Å; C308-F314 WeakPolarHBondContact SG-CD2 3.5Å; C308-G316 WeakPolarHBondContact O-CA 3.46Å; C308-F420 WeakPolarHBondContact CA-O 3.41Å; C308-F420 WeakPolarHBondContact CB-O 3.49Å; C308-C421 HydrophobicContact CB-CB 3.99Å; C308-C421 WeakPolarHBondContact CB-SG 3.36Å; C308-C421 WeakPolarHBondContact SG-CB 3.31Å; C308-C421 CovalentContact SG-SG 2.03Å; C308-C421 PolarHBondContact SG-SG 3.02Å
309	G	98.6	Very high	98.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.087	C	C	.	.			trans	-151.9	-151.5	-179.8	0	0	0	0	0	112.8	N303 T312 G316 G317 F420	N303-G309 WeakPolarHBondContact ND2-CA 3.44Å; G309-T312 PolarHBondContact O-N 3.12Å; G309-T312 PolarHBondContact O-OG1 3.44Å; G309-G316 WeakPolarHBondContact CA-O 3.22Å; G309-G317 WeakPolarHBondContact O-CA 3.5Å; G309-F420 PolarHBondContact N-O 2.79Å
310	K	98.6	Very high	98.5	Very high	14 Å²	14	11.6 Å²	11.6	6%	0.061	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.8	147.6	174.4	-171.2	176.3	179.6	161	0	111.3	D39 P76 H236 A291 A292 T312	D39-K310 WeakPolarHBondContact OD1-CD 3.39Å; D39-K310 WeakPolarHBondContact OD1-CE 3.29Å; D39-K310 IonicContact OD1-NZ 4Å; D39-K310 PolarHBondContact OD1-NZ 3.11Å; D39-K310 IonicContact OD2-NZ 2.73Å; D39-K310 PolarHBondContact OD2-NZ 3.15Å; P76-K310 WeakPolarHBondContact O-CG 3.45Å; H236-K310 PolarHBondContact NE2-NZ 3.04Å; A291-K310 PolarHBondContact O-N 3.37Å; A292-K310 HydrophobicContact CB-CB 4.37Å; A292-K310 HydrophobicContact CB-CD 3.8Å; K310-T312 VanDerWaalsContact C-N 3.26Å; K310-T312 PolarHBondContact O-N 2.81Å
311	E	98.4	Very high	98.6	Very high	10 Å²	10	10.9 Å²	10.9	5%	0.047	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-12.7	-173.7	-48.3	-57.5	156	0	0	116.2	P76 L77 N105 R388 F420 H524	P76-E311 PolarHBondContact O-N 2.97Å; L77-E311 WeakPolarHBondContact CD1-OE1 3.34Å; L77-E311 WeakPolarHBondContact CD1-OE2 3.31Å; N105-E311 VanDerWaalsContact CB-OE2 3.3Å; N105-E311 WeakPolarHBondContact CB-OE2 3.1Å; N105-E311 VanDerWaalsContact CG-OE2 3.28Å; N105-E311 VanDerWaalsContact ND2-CA 3.35Å; N105-E311 WeakPolarHBondContact ND2-CA 3.46Å; N105-E311 PolarHBondContact ND2-O 3.39Å; N105-E311 PolarHBondContact ND2-OE2 3.17Å; E311-R388 PolarHBondContact O-NH1 3.15Å; E311-F420 HydrophobicContact CB-CD1 4.29Å; E311-F420 HydrophobicContact CB-CD2 3.62Å; E311-F420 HydrophobicContact CB-CE1 4.13Å; E311-F420 HydrophobicContact CB-CE2 3.39Å; E311-F420 HydrophobicContact CB-CG 4.08Å; E311-F420 HydrophobicContact CB-CZ 3.69Å; E311-F420 HydrophobicContact CG-CD1 4.3Å; E311-F420 HydrophobicContact CG-CD2 4.42Å; E311-F420 HydrophobicContact CG-CE1 3.88Å; E311-F420 HydrophobicContact CG-CE2 3.97Å; E311-F420 HydrophobicContact CG-CZ 3.7Å; E311-H524 VanDerWaalsContact CD-CD2 3.44Å; E311-H524 IonicContact OE1-NE2 3.94Å; E311-H524 IonicContact OE2-CD2 2.6Å; E311-H524 PolarHBondContact OE2-CD2 3.14Å; E311-H524 IonicContact OE2-NE2 3.66Å; E311-H524 PolarHBondContact OE2-NE2 3.13Å
312	T	98.8	Very high	98.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-114	151.3	-177.7	74.4	0	0	0	0	114.1	P76 C308 G309 K310 F314 G317 F420	P76-T312 VanDerWaalsContact CB-O 3.27Å; P76-T312 WeakPolarHBondContact CB-O 3.29Å; C308-T312 HydrophobicContact CB-CG2 4.08Å; C308-T312 WeakPolarHBondContact CB-OG1 3.47Å; G309-T312 PolarHBondContact O-N 3.12Å; G309-T312 PolarHBondContact O-OG1 3.44Å; K310-T312 VanDerWaalsContact C-N 3.26Å; K310-T312 PolarHBondContact O-N 2.81Å; T312-F314 VanDerWaalsContact C-N 3.27Å; T312-F314 HydrophobicContact CG2-CD2 4.31Å; T312-F314 PolarHBondContact O-N 2.86Å; T312-G317 WeakPolarHBondContact O-CA 3.41Å; T312-F420 HydrophobicContact CG2-CB 3.7Å; T312-F420 HydrophobicContact CG2-CD2 3.89Å; T312-F420 HydrophobicContact CG2-CG 4.24Å
313	T	98.8	Very high	98.7	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	5%	0.054	C	C	.	.	S	Bend	trans	-89.5	14	175.1	54.7	0	0	0	0	113.5	M318 F386 R388 M393 K401	T313-M318 HydrophobicContact CG2-SD 3.97Å; T313-F386 HydrophobicContact CG2-CB 4.14Å; T313-R388 HydrophobicContact CG2-CB 4.01Å; T313-M393 HydrophobicContact CG2-CB 3.84Å; T313-M393 HydrophobicContact CG2-CG 3.67Å; T313-M393 VanDerWaalsContact OG1-CB 3.25Å; T313-M393 WeakPolarHBondContact OG1-CB 3.35Å; T313-K401 PolarHBondContact O-NZ 3.3Å
314	F	98.9	Very high	98.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-69.9	165.4	166.5	-61.6	-63.9	0	0	0	110.2	L307 C308 T312 G316 G317 H403 T406 V429 T430	L307-F314 HydrophobicContact CB-CB 4.17Å; L307-F314 HydrophobicContact CD2-CB 4.49Å; L307-F314 HydrophobicContact CD2-CD1 3.72Å; L307-F314 HydrophobicContact CD2-CD2 4.5Å; L307-F314 HydrophobicContact CD2-CE1 4.05Å; L307-F314 HydrophobicContact CD2-CG 3.98Å; L307-F314 HydrophobicContact CG-CB 4.27Å; L307-F314 HydrophobicContact CG-CD1 4.36Å; L307-F314 HydrophobicContact CG-CD2 4.49Å; L307-F314 HydrophobicContact CG-CG 4.12Å; L307-F314 VanDerWaalsContact O-CB 3.26Å; L307-F314 WeakPolarHBondContact O-CB 3.3Å; C308-F314 HydrophobicContact CB-CB 4.25Å; C308-F314 HydrophobicContact CB-CD2 3.8Å; C308-F314 HydrophobicContact CB-CG 4.42Å; C308-F314 WeakPolarHBondContact SG-CD2 3.5Å; T312-F314 VanDerWaalsContact C-N 3.27Å; T312-F314 HydrophobicContact CG2-CD2 4.31Å; T312-F314 PolarHBondContact O-N 2.86Å; F314-G316 PolarHBondContact O-N 3.23Å; F314-G317 PolarHBondContact O-N 2.91Å; F314-G317 VanDerWaalsContact O-N 3.1Å; F314-H403 AromaticContact CD1-CE1 3.74Å; F314-H403 AromaticContact CE1-CE1 3.95Å; F314-T406 HydrophobicContact CE1-CG2 4.48Å; F314-V429 HydrophobicContact CE1-CG1 3.62Å; F314-V429 HydrophobicContact CZ-CG1 4.15Å; F314-V429 WeakPolarHBondContact CZ-O 3.33Å; F314-T430 HydrophobicContact CE2-CG2 4.35Å; F314-T430 HydrophobicContact CZ-CG2 4.37Å
315	E	98.9	Very high	98.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-54.2	-38.8	-178.5	-72.1	-68.6	97.3	0	0	111.4	Y72 F306 G317 M318 R319 K401 L446 E452	Y72-E315 WeakPolarHBondContact CE1-OE1 3.27Å; Y72-E315 PolarHBondContact OH-OE1 3.45Å; Y72-E315 PolarHBondContact OH-OE2 3.2Å; F306-E315 HydrophobicContact CB-CB 3.74Å; F306-E315 HydrophobicContact CD1-CB 3.58Å; F306-E315 HydrophobicContact CD1-CG 4.15Å; F306-E315 HydrophobicContact CE1-CB 4.47Å; F306-E315 HydrophobicContact CG-CB 3.81Å; E315-G317 PolarHBondContact O-N 3.4Å; E315-M318 PolarHBondContact O-N 2.82Å; E315-R319 WeakPolarHBondContact O-CB 3.49Å; E315-R319 PolarHBondContact O-N 2.84Å; E315-R319 VanDerWaalsContact OE2-CD 3.31Å; E315-R319 WeakPolarHBondContact OE2-CD 3.24Å; E315-R319 IonicContact OE2-CZ 3.6Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3.49Å; E315-K401 IonicContact OE1-NZ 2.95Å; E315-K401 PolarHBondContact OE1-NZ 2.93Å; E315-L446 HydrophobicContact CG-CD2 3.83Å; E315-E452 VanDerWaalsContact CB-OE1 3.27Å; E315-E452 WeakPolarHBondContact CB-OE1 3.41Å; E315-E452 HydrophobicContact CG-CG 4.25Å; E315-E452 VanDerWaalsContact CG-OE1 3.22Å; E315-E452 WeakPolarHBondContact CG-OE1 3.39Å; E315-E452 PolarHBondContact N-OE1 2.93Å
316	G	98.8	Very high	98.8	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-70.5	-18	-177	0	0	0	0	0	114.2	G290 N303 L307 C308 G309 F314	G290-G316 WeakPolarHBondContact CA-O 3.49Å; N303-G316 PolarHBondContact ND2-O 3.39Å; N303-G316 PolarHBondContact OD1-O 3.1Å; L307-G316 VanDerWaalsContact O-CA 3.24Å; L307-G316 WeakPolarHBondContact O-CA 3.46Å; L307-G316 PolarHBondContact O-N 3.38Å; C308-G316 WeakPolarHBondContact O-CA 3.46Å; G309-G316 WeakPolarHBondContact CA-O 3.22Å; F314-G316 PolarHBondContact O-N 3.23Å
317	G	98.8	Very high	98.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-90.9	-17.7	177.9	0	0	0	0	0	115	G290 G309 T312 F314 E315	G290-G317 PolarHBondContact N-O 3.46Å; G290-G317 VanDerWaalsContact N-O 3.08Å; G309-G317 WeakPolarHBondContact O-CA 3.5Å; T312-G317 WeakPolarHBondContact O-CA 3.41Å; F314-G317 PolarHBondContact O-N 2.91Å; F314-G317 VanDerWaalsContact O-N 3.1Å; E315-G317 PolarHBondContact O-N 3.4Å
318	M	98.9	Very high	98.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-136.3	-2.8	-172.4	-67.5	-176.8	58.2	0	0	115.7	Y72 T73 P76 T313 E315 E320 F386	Y72-M318 CarbonylContact C-O 3.38Å; Y72-M318 WeakPolarHBondContact CA-O 3.38Å; Y72-M318 WeakPolarHBondContact CD1-O 3.43Å; T73-M318 HydrophobicContact CG2-CB 3.94Å; T73-M318 HydrophobicContact CG2-CG 4.08Å; T73-M318 PolarHBondContact N-O 3.39Å; P76-M318 HydrophobicContact CB-CG 4.08Å; P76-M318 HydrophobicContact CB-SD 4.45Å; T313-M318 HydrophobicContact CG2-SD 3.97Å; E315-M318 PolarHBondContact O-N 2.82Å; M318-E320 WeakPolarHBondContact CA-OE1 3.48Å; M318-F386 HydrophobicContact CB-CD1 4.04Å; M318-F386 HydrophobicContact CB-CE1 4.03Å; M318-F386 HydrophobicContact CE-CB 4.27Å; M318-F386 HydrophobicContact CE-CD1 3.77Å; M318-F386 HydrophobicContact CE-CE1 4.46Å; M318-F386 HydrophobicContact CE-CG 4.25Å; M318-F386 HydrophobicContact CG-CD1 4.36Å; M318-F386 HydrophobicContact SD-CB 4.06Å; M318-F386 HydrophobicContact SD-CD1 3.55Å; M318-F386 VanDerWaalsContact SD-CD1 3.55Å; M318-F386 HydrophobicContact SD-CE1 4.45Å; M318-F386 HydrophobicContact SD-CG 4.23Å
319	R	98.9	Very high	98.4	Very high	18 Å²	18	11.9 Å²	11.9	7%	0.068	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-99.9	123.3	176.3	-169.6	172.9	176.2	167.1	-7	109.8	T69 N70 F71 Y72 F306 E315	T69-R319 VanDerWaalsContact O-CZ 3.27Å; T69-R319 PolarHBondContact O-NE 3.39Å; T69-R319 PolarHBondContact O-NH2 2.99Å; N70-R319 PolarHBondContact OD1-NH2 2.71Å; F71-R319 WeakPolarHBondContact O-CA 3.28Å; F71-R319 WeakPolarHBondContact O-CG 3.16Å; Y72-R319 HydrophobicContact CD1-CB 3.98Å; Y72-R319 HydrophobicContact CD1-CG 4.31Å; Y72-R319 HydrophobicContact CE1-CB 3.71Å; Y72-R319 HydrophobicContact CE1-CG 3.9Å; F306-R319 VanDerWaalsContact CE1-NH1 3.32Å; F306-R319 HydrophobicContact CE2-CG 4.35Å; E315-R319 WeakPolarHBondContact O-CB 3.49Å; E315-R319 PolarHBondContact O-N 2.84Å; E315-R319 VanDerWaalsContact OE2-CD 3.31Å; E315-R319 WeakPolarHBondContact OE2-CD 3.24Å; E315-R319 IonicContact OE2-CZ 3.6Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3.49Å
320	E	98.9	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.078	C	C	.	.			trans	-118.8	155	-163.7	-50	-50.3	146.9	0	0	112.3	F71 T73 N289 G290 M318	F71-E320 HydrophobicContact CD1-CB 4.21Å; F71-E320 PolarHBondContact O-N 3.18Å; T73-E320 HydrophobicContact CG2-CG 4.24Å; T73-E320 WeakPolarHBondContact CG2-OE1 3.43Å; N289-E320 VanDerWaalsContact C-CD 3.41Å; N289-E320 WeakPolarHBondContact CA-OE1 3.48Å; G290-E320 PolarHBondContact N-OE1 3.48Å; G290-E320 PolarHBondContact N-OE2 3Å; M318-E320 WeakPolarHBondContact CA-OE1 3.48Å
321	P	98.8	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.			trans	-61.9	140.2	163.9	29.2	-33.2	0	0	0	109.2	L45 L48 F285 T286	L45-P321 HydrophobicContact CD1-CB 4.2Å; L45-P321 HydrophobicContact CD1-CG 4.4Å; L45-P321 HydrophobicContact CD2-CB 4.27Å; L48-P321 HydrophobicContact CD1-CB 3.59Å; F285-P321 HydrophobicContact CE1-CB 4.32Å; F285-P321 HydrophobicContact CE1-CG 4.28Å; T286-P321 WeakPolarHBondContact CA-O 3.11Å; T286-P321 WeakPolarHBondContact CB-O 3.48Å; T286-P321 PolarHBondContact OG1-O 3.12Å
322	A	98.9	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.129	C	C	.	.			trans	-149.3	120.4	-179.7	0	0	0	0	0	112.2	L68 F71 F284 F285	L68-A322 HydrophobicContact CB-CB 3.93Å; L68-A322 HydrophobicContact CD1-CB 4.34Å; L68-A322 PolarHBondContact N-O 2.87Å; F71-A322 HydrophobicContact CB-CB 3.32Å; F71-A322 HydrophobicContact CD1-CB 3.72Å; F71-A322 HydrophobicContact CD2-CB 3.7Å; F71-A322 HydrophobicContact CE1-CB 4.4Å; F71-A322 HydrophobicContact CE2-CB 4.41Å; F71-A322 HydrophobicContact CG-CB 3.3Å; F284-A322 HydrophobicContact CE1-CB 4.21Å; F284-A322 HydrophobicContact CZ-CB 4.03Å; F285-A322 VanDerWaalsContact O-CA 3.29Å; F285-A322 WeakPolarHBondContact O-CA 3.45Å
323	I	98.9	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.6	-179.7	-53.9	164.8	0	0	0	108.9	L45 L58 M61 A62 I66 L67 F284 F285	L45-I323 HydrophobicContact CD2-CD1 3.78Å; L58-I323 HydrophobicContact CB-CD1 4.44Å; L58-I323 HydrophobicContact CD2-CD1 4.33Å; M61-I323 HydrophobicContact CB-CG2 4.41Å; M61-I323 HydrophobicContact CE-CB 4.29Å; M61-I323 HydrophobicContact CE-CG2 4.06Å; M61-I323 HydrophobicContact CG-CG2 3.79Å; M61-I323 HydrophobicContact SD-CB 4.36Å; M61-I323 HydrophobicContact SD-CG2 4.09Å; A62-I323 HydrophobicContact CB-CD1 3.96Å; A62-I323 HydrophobicContact CB-CG1 4.22Å; A62-I323 HydrophobicContact CB-CG2 4.24Å; I66-I323 WeakPolarHBondContact O-CA 3.36Å; L67-I323 HydrophobicContact CD1-CG1 3.82Å; F284-I323 WeakPolarHBondContact CA-O 3.47Å; F285-I323 HydrophobicContact CB-CB 4.4Å; F285-I323 HydrophobicContact CD1-CD1 4.28Å; F285-I323 PolarHBondContact N-O 3.36Å; F285-I323 PolarHBondContact O-N 2.92Å
324	A	98.8	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.8	168.7	0	0	0	0	0	110.2	G65 I66 L68 F282 F284 I330 L372	G65-A324 CarbonylContact C-O 3.47Å; G65-A324 VanDerWaalsContact CA-O 3.26Å; G65-A324 WeakPolarHBondContact CA-O 3.27Å; I66-A324 HydrophobicContact CG2-CB 3.72Å; I66-A324 PolarHBondContact N-O 2.96Å; I66-A324 PolarHBondContact O-N 3.19Å; L68-A324 HydrophobicContact CD1-CB 4.44Å; F282-A324 HydrophobicContact CE2-CB 4.08Å; F282-A324 HydrophobicContact CZ-CB 4.36Å; F284-A324 HydrophobicContact CD2-CB 3.67Å; F284-A324 HydrophobicContact CE2-CB 3.87Å; A324-I330 HydrophobicContact CB-CD1 3.89Å; A324-L372 HydrophobicContact CB-CD1 4.48Å; A324-L372 HydrophobicContact CB-CD2 3.77Å
325	W	98.8	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.6	-176.3	178.5	95.2	0	0	0	109.8	M61 L269 L272 E278 V283 P327	M61-W325 HydrophobicContact CE-CB 3.6Å; M61-W325 HydrophobicContact CG-CB 3.81Å; M61-W325 HydrophobicContact CG-CG 4.07Å; L269-W325 HydrophobicContact CD2-CD2 4.07Å; L269-W325 HydrophobicContact CD2-CE3 3.9Å; L269-W325 HydrophobicContact CD2-CH2 4.17Å; L269-W325 HydrophobicContact CD2-CZ2 4.37Å; L269-W325 HydrophobicContact CD2-CZ3 3.97Å; L272-W325 HydrophobicContact CB-CH2 4.5Å; L272-W325 HydrophobicContact CD1-CH2 4.21Å; L272-W325 HydrophobicContact CD1-CZ3 3.78Å; E278-W325 HydrophobicContact CB-CH2 3.64Å; E278-W325 HydrophobicContact CB-CZ2 4.38Å; E278-W325 HydrophobicContact CB-CZ3 4.39Å; V283-W325 HydrophobicContact CB-CB 4.45Å; V283-W325 HydrophobicContact CB-CE3 3.94Å; V283-W325 HydrophobicContact CG2-CE3 3.58Å; V283-W325 HydrophobicContact CG2-CZ3 3.83Å; V283-W325 PolarHBondContact N-O 3.13Å; V283-W325 PolarHBondContact O-N 3.4Å; W325-P327 HydrophobicContact CD2-CG 4.05Å; W325-P327 VanDerWaalsContact CE2-CG 3.44Å; W325-P327 HydrophobicContact CE3-CG 4.35Å; W325-P327 HydrophobicContact CH2-CG 3.71Å; W325-P327 HydrophobicContact CZ2-CG 3.28Å; W325-P327 HydrophobicContact CZ3-CG 4.19Å
326	W	98.4	Very high	97	Very high	15 Å²	15	30 Å²	30	6%	0.057	20%	0.195	C	C	.	.			trans	-160.4	88.5	175.3	-168.3	2.7	0	0	0	110.1	P30 K279 F282 G328 H329 I330 L352 L373	P30-W326 HydrophobicContact CB-CH2 4.12Å; P30-W326 HydrophobicContact CB-CZ2 3.67Å; P30-W326 HydrophobicContact CG-CH2 4Å; P30-W326 HydrophobicContact CG-CZ2 4.07Å; K279-W326 PolarHBondContact O-NE1 3.31Å; F282-W326 HydrophobicContact CB-CD2 4.08Å; F282-W326 HydrophobicContact CB-CE3 4.1Å; F282-W326 HydrophobicContact CB-CG 4.39Å; F282-W326 HydrophobicContact CD2-CB 4.2Å; F282-W326 HydrophobicContact CD2-CD2 4.35Å; F282-W326 AromaticContact CD2-CE3 3.86Å; F282-W326 HydrophobicContact CD2-CE3 3.86Å; F282-W326 HydrophobicContact CG-CE3 4.41Å; W326-G328 PolarHBondContact O-N 2.91Å; W326-H329 HydrophobicContact CB-CB 4.23Å; W326-H329 AromaticContact CD1-CD2 3.57Å; W326-H329 HydrophobicContact CD2-CB 3.55Å; W326-H329 AromaticContact CD2-CD2 3.92Å; W326-H329 AromaticContact CD2-CG 3.71Å; W326-H329 AromaticContact CE2-CD2 3.39Å; W326-H329 AromaticContact CE2-CG 3.5Å; W326-H329 VanDerWaalsContact CE2-CG 3.5Å; W326-H329 AromaticContact CE2-ND1 3.99Å; W326-H329 AromaticContact CE2-NE2 3.85Å; W326-H329 HydrophobicContact CE3-CB 3.79Å; W326-H329 HydrophobicContact CG-CB 3.74Å; W326-H329 HydrophobicContact CZ2-CB 4.49Å; W326-H329 AromaticContact CZ2-CD2 3.87Å; W326-H329 AromaticContact CZ2-CE1 3.84Å; W326-H329 AromaticContact CZ2-CG 3.82Å; W326-H329 AromaticContact CZ2-ND1 3.81Å; W326-H329 AromaticContact CZ2-NE2 3.9Å; W326-H329 HydrophobicContact CZ3-CB 4.32Å; W326-H329 AromaticContact NE1-CD2 3.11Å; W326-H329 PolarHBondContact NE1-CD2 2.67Å; W326-H329 AromaticContact NE1-CG 3.7Å; W326-H329 AromaticContact NE1-NE2 3.66Å; W326-H329 PolarHBondContact O-N 3.28Å; W326-I330 HydrophobicContact CB-CB 4.45Å; W326-I330 HydrophobicContact CB-CD1 3.83Å; W326-I330 HydrophobicContact CB-CG1 3.99Å; W326-I330 PolarHBondContact O-N 3.32Å; W326-L352 HydrophobicContact CE3-CD2 4.3Å; W326-L352 HydrophobicContact CH2-CD2 3.8Å; W326-L352 HydrophobicContact CZ3-CD1 4.47Å; W326-L352 HydrophobicContact CZ3-CD2 3.3Å; W326-L352 HydrophobicContact CZ3-CG 4.48Å; W326-L373 HydrophobicContact CE3-CD2 3.84Å; W326-L373 HydrophobicContact CZ3-CD1 4.23Å; W326-L373 HydrophobicContact CZ3-CD2 3.9Å
327	P	97.7	Very high	96.8	Very high	28 Å²	28	34.4 Å²	34.4	18%	0.182	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	134.5	-175.9	-28.5	35.8	0	0	0	113	E278 K279 W325 H329	E278-P327 HydrophobicContact CB-CG 4.3Å; E278-P327 HydrophobicContact CG-CB 4.21Å; E278-P327 HydrophobicContact CG-CG 4.19Å; K279-P327 WeakPolarHBondContact CA-O 3.47Å; W325-P327 HydrophobicContact CD2-CG 4.05Å; W325-P327 VanDerWaalsContact CE2-CG 3.44Å; W325-P327 HydrophobicContact CE3-CG 4.35Å; W325-P327 HydrophobicContact CH2-CG 3.71Å; W325-P327 HydrophobicContact CZ2-CG 3.28Å; W325-P327 HydrophobicContact CZ3-CG 4.19Å; P327-H329 PolarHBondContact O-N 3.39Å
328	G	95.4	Very high	96.6	Very high	74 Å²	74	34.6 Å²	34.6	76%	0.763	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-10.5	-177.2	0	0	0	0	0	114.8	W326	W326-G328 PolarHBondContact O-N 2.91Å
329	H	95.9	Very high	96.4	Very high	89 Å²	89	35 Å²	35	41%	0.412	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-47.4	178.8	-67	-94	0	0	0	112.2	K279 W326 P327 L373	K279-H329 PolarHBondContact O-CD2 3.33Å; K279-H329 VanDerWaalsContact O-CD2 3.28Å; K279-H329 PolarHBondContact O-NE2 2.87Å; K279-H329 VanDerWaalsContact O-NE2 3.11Å; W326-H329 HydrophobicContact CB-CB 4.23Å; W326-H329 AromaticContact CD1-CD2 3.57Å; W326-H329 HydrophobicContact CD2-CB 3.55Å; W326-H329 AromaticContact CD2-CD2 3.92Å; W326-H329 AromaticContact CD2-CG 3.71Å; W326-H329 AromaticContact CE2-CD2 3.39Å; W326-H329 AromaticContact CE2-CG 3.5Å; W326-H329 VanDerWaalsContact CE2-CG 3.5Å; W326-H329 AromaticContact CE2-ND1 3.99Å; W326-H329 AromaticContact CE2-NE2 3.85Å; W326-H329 HydrophobicContact CE3-CB 3.79Å; W326-H329 HydrophobicContact CG-CB 3.74Å; W326-H329 HydrophobicContact CZ2-CB 4.49Å; W326-H329 AromaticContact CZ2-CD2 3.87Å; W326-H329 AromaticContact CZ2-CE1 3.84Å; W326-H329 AromaticContact CZ2-CG 3.82Å; W326-H329 AromaticContact CZ2-ND1 3.81Å; W326-H329 AromaticContact CZ2-NE2 3.9Å; W326-H329 HydrophobicContact CZ3-CB 4.32Å; W326-H329 AromaticContact NE1-CD2 3.11Å; W326-H329 PolarHBondContact NE1-CD2 2.67Å; W326-H329 AromaticContact NE1-CG 3.7Å; W326-H329 AromaticContact NE1-NE2 3.66Å; W326-H329 PolarHBondContact O-N 3.28Å; P327-H329 PolarHBondContact O-N 3.39Å; H329-L373 HydrophobicContact CB-CD2 4.1Å
330	I	96.1	Very high	96.4	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.051	22%	0.219	C	C	.	.	S	Bend	trans	-93	132.9	174.3	-66	174.2	0	0	0	109.1	I66 F282 A324 W326 G332 L372 L373	I66-I330 HydrophobicContact CB-CG2 3.86Å; I66-I330 HydrophobicContact CG2-CD1 4.37Å; I66-I330 HydrophobicContact CG2-CG2 3.73Å; F282-I330 HydrophobicContact CD2-CD1 4.37Å; F282-I330 HydrophobicContact CE2-CD1 4.11Å; A324-I330 HydrophobicContact CB-CD1 3.89Å; W326-I330 HydrophobicContact CB-CB 4.45Å; W326-I330 HydrophobicContact CB-CD1 3.83Å; W326-I330 HydrophobicContact CB-CG1 3.99Å; W326-I330 PolarHBondContact O-N 3.32Å; I330-G332 PolarHBondContact O-N 2.9Å; I330-L372 HydrophobicContact CD1-CB 4.34Å; I330-L372 HydrophobicContact CG1-CB 4.47Å; I330-L373 HydrophobicContact CG1-CD2 3.99Å
331	K	92.8	Very high	96.3	Very high	172 Å²	172	34.2 Å²	34.2	75%	0.748	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-69.5	117	173.2	-176.8	-178.6	178.5	-177	0	109.7	A334	K331-A334 WeakPolarHBondContact O-CB 3.31Å
332	G	94.4	Very high	96.3	Very high	40 Å²	40	34.3 Å²	34.3	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	146.5	179.1	0	0	0	0	0	114	A63 Q64 G65 I330 A334	A63-G332 CarbonylContact O-C 3.25Å; Q64-G332 VanDerWaalsContact C-CA 3.43Å; Q64-G332 VanDerWaalsContact O-CA 3.25Å; Q64-G332 WeakPolarHBondContact O-CA 3.29Å; G65-G332 CarbonylContact O-C 3.5Å; G65-G332 WeakPolarHBondContact O-CA 3.46Å; I330-G332 PolarHBondContact O-N 2.9Å; G332-A334 VanDerWaalsContact C-N 3.27Å; G332-A334 PolarHBondContact O-N 3.08Å
333	G	94.1	Very high	96.3	Very high	53 Å²	53	34.7 Å²	34.7	55%	0.546	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	17.5	178.4	0	0	0	0	0	113.3	A63 G65	A63-G333 WeakPolarHBondContact O-CA 3.22Å; A63-G333 PolarHBondContact O-N 2.86Å; G65-G333 PolarHBondContact O-N 2.83Å
334	A	94.3	Very high	96.3	Very high	26 Å²	26	34.7 Å²	34.7	22%	0.215	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	153.5	178.5	0	0	0	0	0	111.4	G65 I66 L67 K331 G332	G65-A334 PolarHBondContact O-N 3.34Å; I66-A334 WeakPolarHBondContact CA-O 3.29Å; I66-A334 HydrophobicContact CB-CB 4.06Å; I66-A334 HydrophobicContact CD1-CB 3.97Å; I66-A334 HydrophobicContact CG1-CB 3.76Å; L67-A334 PolarHBondContact N-O 3.21Å; K331-A334 WeakPolarHBondContact O-CB 3.31Å; G332-A334 VanDerWaalsContact C-N 3.27Å; G332-A334 PolarHBondContact O-N 3.08Å
335	V	95.6	Very high	96.3	Very high	92 Å²	92	34.8 Å²	34.8	56%	0.558	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	129	170.3	178.8	0	0	0	0	108.2	L67 T69 L337	L67-V335 HydrophobicContact CB-CG2 4.47Å; L67-V335 CarbonylContact O-C 3.54Å; L67-V335 WeakPolarHBondContact O-CA 3.42Å; T69-V335 HydrophobicContact CG2-CG1 3.89Å; V335-L337 HydrophobicContact CG1-CD2 4.5Å
336	S	94.4	Very high	96.3	Very high	13 Å²	13	34.9 Å²	34.9	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135	172.5	-174	0	0	0	0	111	L67 T69 Q338 V371	L67-S336 PolarHBondContact O-N 2.77Å; T69-S336 PolarHBondContact N-O 2.82Å; S336-Q338 WeakPolarHBondContact OG-CB 3.34Å; S336-Q338 PolarHBondContact OG-N 2.58Å; S336-V371 WeakPolarHBondContact OG-CG1 3.25Å
337	L	93.9	Very high	96.3	Very high	92 Å²	92	34.9 Å²	34.9	48%	0.482	22%	0.224	S	C	.	.			trans	-97.3	1.9	171.4	-57.6	-176.6	0	0	0	112.4	T69 N70 V335 P339 L379	T69-L337 WeakPolarHBondContact OG1-CD2 3.36Å; N70-L337 PolarHBondContact ND2-O 3.49Å; V335-L337 HydrophobicContact CG1-CD2 4.5Å; L337-P339 VanDerWaalsContact O-CD 3.32Å; L337-P339 WeakPolarHBondContact O-CD 3.26Å; L337-L379 HydrophobicContact CB-CD2 4.5Å
338	Q	94.2	Very high	96.4	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	22%	0.216	C	C	.	.			trans	-55.2	125.1	176	174.9	60.1	41.3	0	0	110	S336 A340 V371 L379 D380	S336-Q338 WeakPolarHBondContact OG-CB 3.34Å; S336-Q338 PolarHBondContact OG-N 2.58Å; Q338-A340 PolarHBondContact O-N 3.44Å; Q338-V371 HydrophobicContact CB-CG1 3.94Å; Q338-V371 HydrophobicContact CB-CG2 4.38Å; Q338-V371 HydrophobicContact CG-CG1 4.34Å; Q338-V371 HydrophobicContact CG-CG2 4.01Å; Q338-L379 HydrophobicContact CB-CD2 4.11Å; Q338-L379 VanDerWaalsContact OE1-CA 3.3Å; Q338-D380 PolarHBondContact NE2-O 2.72Å
339	P	96	Very high	96.5	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.058	18%	0.18	C	C	.	.			trans	-59.2	109.8	164.3	-24.5	35.8	0	0	0	110.2	N70 L337 R382 I384	N70-P339 WeakPolarHBondContact O-CA 3.43Å; L337-P339 VanDerWaalsContact O-CD 3.32Å; L337-P339 WeakPolarHBondContact O-CD 3.26Å; P339-R382 HydrophobicContact CB-CG 4.47Å; P339-R382 WeakPolarHBondContact O-CD 3.49Å; P339-R382 PolarHBondContact O-NH1 3.28Å; P339-R382 VanDerWaalsContact O-NH1 3.13Å; P339-I384 HydrophobicContact CB-CD1 4.34Å; P339-I384 HydrophobicContact CB-CG1 4.22Å
340	A	97.2	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.5	-179.3	0	0	0	0	0	109.7	L68 N70 F71 Y72 Q338 D344 L368 R382	L68-A340 HydrophobicContact CD2-CB 3.81Å; N70-A340 PolarHBondContact O-N 3.24Å; F71-A340 WeakPolarHBondContact CA-O 3.13Å; F71-A340 HydrophobicContact CD2-CB 3.5Å; F71-A340 VanDerWaalsContact CD2-CB 3.5Å; F71-A340 HydrophobicContact CE2-CB 4.07Å; F71-A340 HydrophobicContact CG-CB 4.42Å; Y72-A340 PolarHBondContact N-O 2.94Å; Q338-A340 PolarHBondContact O-N 3.44Å; A340-D344 WeakPolarHBondContact CA-OD2 3.45Å; A340-L368 HydrophobicContact CB-CD1 4.04Å; A340-L368 HydrophobicContact CB-CD2 4.3Å; A340-R382 VanDerWaalsContact CA-NH1 3.34Å
341	N	98.4	Very high	96.7	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.3	-177.3	-165.8	-84.1	0	0	0	110.8	Y72 T73 M343 D344 R382 I384	Y72-N341 CarbonylContact O-C 3.58Å; Y72-N341 WeakPolarHBondContact O-CA 3.33Å; Y72-N341 PolarHBondContact O-ND2 3.13Å; T73-N341 PolarHBondContact O-ND2 2.88Å; N341-M343 HydrophobicContact CB-CE 4.44Å; N341-M343 PolarHBondContact O-N 2.86Å; N341-M343 VanDerWaalsContact O-N 3.14Å; N341-M343 WeakPolarHBondContact OD1-CE 3.42Å; N341-M343 WeakPolarHBondContact OD1-CG 3.34Å; N341-M343 PolarHBondContact OD1-N 3.27Å; N341-D344 PolarHBondContact N-OD2 2.86Å; N341-D344 WeakPolarHBondContact O-CB 3.32Å; N341-D344 VanDerWaalsContact O-CG 3.24Å; N341-D344 PolarHBondContact O-N 3.14Å; N341-R382 VanDerWaalsContact N-NH1 3.19Å; N341-I384 HydrophobicContact CB-CD1 4.21Å
342	V	98.8	Very high	96.9	Very high	1 Å²	1	20 Å²	20	1%	0.006	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-31.5	175.4	76.2	0	0	0	0	113.2	F71 Y72 A74 L85 D344 L345	F71-V342 HydrophobicContact CE1-CB 4.23Å; F71-V342 HydrophobicContact CZ-CB 4.28Å; Y72-V342 PolarHBondContact O-N 3.09Å; A74-V342 HydrophobicContact CB-CG1 3.93Å; L85-V342 HydrophobicContact CB-CG2 3.79Å; L85-V342 HydrophobicContact CD1-CG2 3.6Å; L85-V342 HydrophobicContact CG-CG2 3.84Å; V342-D344 PolarHBondContact O-N 2.84Å; V342-L345 HydrophobicContact CG2-CD1 4.29Å; V342-L345 WeakPolarHBondContact O-CB 3.45Å; V342-L345 WeakPolarHBondContact O-CG 3.26Å; V342-L345 PolarHBondContact O-N 2.9Å
343	M	98.8	Very high	97	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.039	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.2	174.6	-64.1	-179.4	-65.3	0	0	112.8	A74 A84 L90 N341 L345 F346 D364 G365	A74-M343 HydrophobicContact CB-CG 4.17Å; A74-M343 HydrophobicContact CB-SD 4.24Å; A84-M343 HydrophobicContact CB-CG 3.76Å; A84-M343 HydrophobicContact CB-SD 4.25Å; L90-M343 HydrophobicContact CB-SD 4.4Å; L90-M343 HydrophobicContact CD2-CE 3.66Å; L90-M343 HydrophobicContact CD2-SD 3.95Å; L90-M343 HydrophobicContact CG-CE 3.97Å; L90-M343 HydrophobicContact CG-SD 3.92Å; L90-M343 PolarHBondContact N-SD 3.35Å; N341-M343 HydrophobicContact CB-CE 4.44Å; N341-M343 PolarHBondContact O-N 2.86Å; N341-M343 VanDerWaalsContact O-N 3.14Å; N341-M343 WeakPolarHBondContact OD1-CE 3.42Å; N341-M343 WeakPolarHBondContact OD1-CG 3.34Å; N341-M343 PolarHBondContact OD1-N 3.27Å; M343-L345 PolarHBondContact O-N 2.87Å; M343-F346 WeakPolarHBondContact O-CB 3.31Å; M343-F346 PolarHBondContact O-N 3.13Å; M343-D364 HydrophobicContact CE-CB 3.72Å; M343-D364 HydrophobicContact SD-CB 3.74Å; M343-G365 WeakPolarHBondContact O-CA 3.12Å
344	D	98.7	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-23.7	178.9	-58.8	-18.8	0	0	0	111.8	A340 N341 V342 F346 T347 T348 G365 L366 L368 R382	A340-D344 WeakPolarHBondContact CA-OD2 3.45Å; N341-D344 PolarHBondContact N-OD2 2.86Å; N341-D344 WeakPolarHBondContact O-CB 3.32Å; N341-D344 VanDerWaalsContact O-CG 3.24Å; N341-D344 PolarHBondContact O-N 3.14Å; V342-D344 PolarHBondContact O-N 2.84Å; D344-F346 PolarHBondContact O-N 2.83Å; D344-T347 PolarHBondContact O-N 3.03Å; D344-T348 WeakPolarHBondContact O-CB 3.2Å; D344-T348 PolarHBondContact O-N 3.43Å; D344-T348 PolarHBondContact O-OG1 2.73Å; D344-G365 WeakPolarHBondContact OD1-CA 3.45Å; D344-L366 WeakPolarHBondContact CA-O 3.38Å; D344-L366 WeakPolarHBondContact CB-O 3.44Å; D344-L366 PolarHBondContact OD1-N 3.47Å; D344-L368 HydrophobicContact CB-CD1 3.55Å; D344-L368 HydrophobicContact CB-CD2 4.4Å; D344-L368 HydrophobicContact CB-CG 3.74Å; D344-R382 IonicContact OD1-CZ 3.53Å; D344-R382 IonicContact OD1-NH1 3.46Å; D344-R382 IonicContact OD1-NH2 3Å; D344-R382 PolarHBondContact OD1-NH2 2.69Å; D344-R382 IonicContact OD2-CZ 3.78Å; D344-R382 IonicContact OD2-NH1 2.69Å; D344-R382 PolarHBondContact OD2-NH1 2.86Å; D344-R382 IonicContact OD2-NH2 2.74Å; D344-R382 PolarHBondContact OD2-NH2 3.18Å
345	L	98.9	Very high	97.1	Very high	3 Å²	3	19 Å²	19	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-28.7	177.2	-58.7	-176.7	0	0	0	112	I34 F71 L85 F284 T286 V342 M343 S349	I34-L345 HydrophobicContact CD1-CB 4.07Å; I34-L345 HydrophobicContact CD1-CD1 4.47Å; I34-L345 HydrophobicContact CG2-CD1 4.17Å; F71-L345 HydrophobicContact CZ-CD1 4.43Å; F71-L345 HydrophobicContact CZ-CG 4.45Å; L85-L345 HydrophobicContact CD1-CD1 4.13Å; L85-L345 HydrophobicContact CG-CD1 4.39Å; F284-L345 HydrophobicContact CB-CD2 4.29Å; F284-L345 HydrophobicContact CD1-CD1 3.68Å; F284-L345 HydrophobicContact CD1-CD2 3.57Å; F284-L345 HydrophobicContact CD1-CG 4.27Å; F284-L345 HydrophobicContact CD2-CD2 3.65Å; F284-L345 HydrophobicContact CE1-CD1 3.95Å; F284-L345 HydrophobicContact CE1-CD2 3.69Å; F284-L345 HydrophobicContact CE1-CG 4.34Å; F284-L345 HydrophobicContact CE2-CD2 3.76Å; F284-L345 HydrophobicContact CG-CD1 4.32Å; F284-L345 HydrophobicContact CG-CD2 3.55Å; F284-L345 HydrophobicContact CZ-CD2 3.79Å; T286-L345 HydrophobicContact CG2-CD1 4.19Å; V342-L345 HydrophobicContact CG2-CD1 4.29Å; V342-L345 WeakPolarHBondContact O-CB 3.45Å; V342-L345 WeakPolarHBondContact O-CG 3.26Å; V342-L345 PolarHBondContact O-N 2.9Å; M343-L345 PolarHBondContact O-N 2.87Å; L345-S349 WeakPolarHBondContact O-CB 3.48Å; L345-S349 PolarHBondContact O-N 3.3Å; L345-S349 VanDerWaalsContact O-N 3.11Å; L345-S349 PolarHBondContact O-OG 3.04Å
346	F	98.9	Very high	97.1	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-63.1	170.2	-178.1	-90.9	0	0	0	110.4	L86 G88 L123 M126 M343 D344 T348 S349 L350 L363	L86-F346 WeakPolarHBondContact O-CD2 3.13Å; L86-F346 WeakPolarHBondContact O-CE2 3.5Å; G88-F346 VanDerWaalsContact CA-CB 3.47Å; L123-F346 HydrophobicContact CB-CD2 3.82Å; L123-F346 HydrophobicContact CB-CE2 4.14Å; L123-F346 HydrophobicContact CD1-CD2 4.37Å; M126-F346 HydrophobicContact CG-CZ 4.38Å; M343-F346 WeakPolarHBondContact O-CB 3.31Å; M343-F346 PolarHBondContact O-N 3.13Å; D344-F346 PolarHBondContact O-N 2.83Å; F346-T348 PolarHBondContact O-N 3.41Å; F346-S349 PolarHBondContact O-N 3.01Å; F346-L350 HydrophobicContact CD1-CD1 4.02Å; F346-L350 HydrophobicContact CD1-CG 4.49Å; F346-L350 HydrophobicContact CE1-CD1 3.45Å; F346-L350 VanDerWaalsContact CE1-CD1 3.45Å; F346-L350 HydrophobicContact CE1-CG 4.3Å; F346-L350 HydrophobicContact CZ-CD1 3.92Å; F346-L350 WeakPolarHBondContact O-CG 3.46Å; F346-L350 PolarHBondContact O-N 3.11Å; F346-L350 VanDerWaalsContact O-N 3.08Å; F346-L363 HydrophobicContact CD1-CD1 4.31Å; F346-L363 HydrophobicContact CE1-CD1 3.97Å; F346-L363 HydrophobicContact CE1-CD2 4.21Å
347	T	98.4	Very high	97.1	Very high	16 Å²	16	21.6 Å²	21.6	10%	0.098	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-39.2	-172.6	-52.1	0	0	0	0	111.9	D344 L350 A351 G365 D367	D344-T347 PolarHBondContact O-N 3.03Å; T347-L350 PolarHBondContact O-N 3.34Å; T347-A351 PolarHBondContact O-N 2.79Å; T347-G365 VanDerWaalsContact OG1-C 3.3Å; T347-G365 PolarHBondContact OG1-O 3.47Å; T347-D367 HydrophobicContact CG2-CB 4.13Å
348	T	98.4	Very high	97.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-43.4	175.3	-55.2	0	0	0	0	110.9	D344 F346 L350 A351 L352 L366 L368 T369 L372	D344-T348 WeakPolarHBondContact O-CB 3.2Å; D344-T348 PolarHBondContact O-N 3.43Å; D344-T348 PolarHBondContact O-OG1 2.73Å; F346-T348 PolarHBondContact O-N 3.41Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-L350 PolarHBondContact O-N 2.69Å; T348-A351 PolarHBondContact O-N 3.42Å; T348-L352 HydrophobicContact CG2-CD1 4.35Å; T348-L352 HydrophobicContact CG2-CG 4.44Å; T348-L352 VanDerWaalsContact O-CG 3.25Å; T348-L352 WeakPolarHBondContact O-CG 3.48Å; T348-L352 PolarHBondContact O-N 2.63Å; T348-L366 PolarHBondContact OG1-O 2.84Å; T348-L368 HydrophobicContact CG2-CB 4.24Å; T348-L368 WeakPolarHBondContact OG1-CB 3.38Å; T348-L368 PolarHBondContact OG1-N 3.27Å; T348-T369 HydrophobicContact CG2-CG2 4.12Å; T348-L372 HydrophobicContact CG2-CD1 4.09Å
349	S	98.8	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-38.4	177.4	-64.3	0	0	0	0	112.2	L345 F346 L352 A353	L345-S349 WeakPolarHBondContact O-CB 3.48Å; L345-S349 PolarHBondContact O-N 3.3Å; L345-S349 VanDerWaalsContact O-N 3.11Å; L345-S349 PolarHBondContact O-OG 3.04Å; F346-S349 PolarHBondContact O-N 3.01Å; S349-L352 PolarHBondContact O-N 3.17Å; S349-A353 WeakPolarHBondContact O-CB 3.35Å; S349-A353 PolarHBondContact O-N 3.04Å
350	L	98.3	Very high	97.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-45	173.4	-61.7	-171	0	0	0	111.7	L123 M126 L127 F346 T347 T348 L352 A353 G354 I355 P357	L123-L350 HydrophobicContact CD1-CD2 3.74Å; L123-L350 HydrophobicContact CD1-CG 4.26Å; M126-L350 HydrophobicContact CB-CD2 3.48Å; M126-L350 VanDerWaalsContact CB-CD2 3.48Å; M126-L350 HydrophobicContact CE-CD1 4.24Å; M126-L350 HydrophobicContact CG-CD2 4.27Å; L127-L350 HydrophobicContact CD2-CD2 4.42Å; F346-L350 HydrophobicContact CD1-CD1 4.02Å; F346-L350 HydrophobicContact CD1-CG 4.49Å; F346-L350 HydrophobicContact CE1-CD1 3.45Å; F346-L350 VanDerWaalsContact CE1-CD1 3.45Å; F346-L350 HydrophobicContact CE1-CG 4.3Å; F346-L350 HydrophobicContact CZ-CD1 3.92Å; F346-L350 WeakPolarHBondContact O-CG 3.46Å; F346-L350 PolarHBondContact O-N 3.11Å; F346-L350 VanDerWaalsContact O-N 3.08Å; T347-L350 PolarHBondContact O-N 3.34Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-L350 PolarHBondContact O-N 2.69Å; L350-L352 PolarHBondContact O-N 3.35Å; L350-A353 CarbonylContact O-C 3.58Å; L350-A353 PolarHBondContact O-N 3.36Å; L350-A353 VanDerWaalsContact O-N 3.17Å; L350-G354 PolarHBondContact O-N 3.27Å; L350-I355 CarbonylContact C-O 3.49Å; L350-I355 HydrophobicContact CB-CB 4.25Å; L350-I355 HydrophobicContact CD2-CB 4.32Å; L350-I355 HydrophobicContact CD2-CD1 4.45Å; L350-I355 HydrophobicContact CD2-CG2 4.14Å; L350-I355 PolarHBondContact O-N 2.74Å; L350-P357 HydrophobicContact CD1-CB 4.2Å
351	A	96.9	Very high	97.1	Very high	37 Å²	37	33 Å²	33	31%	0.306	21%	0.206	S	C	.	.	H	α-helix	trans	-59.8	-45	177.2	0	0	0	0	0	111.9	T347 T348 A353 G354 D367 T369	T347-A351 PolarHBondContact O-N 2.79Å; T348-A351 PolarHBondContact O-N 3.42Å; A351-A353 VanDerWaalsContact C-N 3.29Å; A351-A353 PolarHBondContact O-N 3.46Å; A351-G354 PolarHBondContact O-N 3.1Å; A351-D367 HydrophobicContact CB-CB 4.48Å; A351-D367 WeakPolarHBondContact CB-OD2 3.49Å; A351-T369 HydrophobicContact CB-CG2 4.11Å
352	L	96.6	Very high	97	Very high	22 Å²	22	36.1 Å²	36.1	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-37.9	175.1	-68.9	-179.7	0	0	0	112.7	P30 I32 F282 W326 T348 S349 L350 G354 T369	P30-L352 VanDerWaalsContact CD-O 3.25Å; P30-L352 WeakPolarHBondContact CD-O 3.4Å; P30-L352 HydrophobicContact CG-CB 4.14Å; I32-L352 HydrophobicContact CD1-CB 4.49Å; F282-L352 HydrophobicContact CB-CD1 3.92Å; F282-L352 HydrophobicContact CD1-CD1 3.52Å; F282-L352 HydrophobicContact CD2-CD1 3.94Å; F282-L352 HydrophobicContact CE1-CD1 3.92Å; F282-L352 HydrophobicContact CE2-CD1 4.31Å; F282-L352 HydrophobicContact CG-CD1 3.51Å; F282-L352 HydrophobicContact CZ-CD1 4.29Å; W326-L352 HydrophobicContact CE3-CD2 4.3Å; W326-L352 HydrophobicContact CH2-CD2 3.8Å; W326-L352 HydrophobicContact CZ3-CD1 4.47Å; W326-L352 HydrophobicContact CZ3-CD2 3.3Å; W326-L352 HydrophobicContact CZ3-CG 4.48Å; T348-L352 HydrophobicContact CG2-CD1 4.35Å; T348-L352 HydrophobicContact CG2-CG 4.44Å; T348-L352 VanDerWaalsContact O-CG 3.25Å; T348-L352 WeakPolarHBondContact O-CG 3.48Å; T348-L352 PolarHBondContact O-N 2.63Å; S349-L352 PolarHBondContact O-N 3.17Å; L350-L352 PolarHBondContact O-N 3.35Å; L352-G354 PolarHBondContact O-N 2.89Å; L352-T369 HydrophobicContact CD2-CG2 3.66Å; L352-T369 HydrophobicContact CG-CG2 4.09Å
353	A	96.9	Very high	96.9	Very high	2 Å²	2	38 Å²	38	2%	0.017	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.3	176.2	0	0	0	0	0	113.5	L127 N130 Y132 S349 L350 A351 I355	L127-A353 HydrophobicContact CD2-CB 3.59Å; N130-A353 PolarHBondContact ND2-O 3.08Å; Y132-A353 HydrophobicContact CE2-CB 3.71Å; S349-A353 WeakPolarHBondContact O-CB 3.35Å; S349-A353 PolarHBondContact O-N 3.04Å; L350-A353 CarbonylContact O-C 3.58Å; L350-A353 PolarHBondContact O-N 3.36Å; L350-A353 VanDerWaalsContact O-N 3.17Å; A351-A353 VanDerWaalsContact C-N 3.29Å; A351-A353 PolarHBondContact O-N 3.46Å; A353-I355 VanDerWaalsContact C-N 3.34Å; A353-I355 HydrophobicContact CB-CD1 3.68Å; A353-I355 HydrophobicContact CB-CG1 3.95Å
354	G	95.6	Very high	96.8	Very high	70 Å²	70	39 Å²	39	72%	0.722	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	27.2	-175.8	0	0	0	0	0	113.9	L350 A351 L352	L350-G354 PolarHBondContact O-N 3.27Å; A351-G354 PolarHBondContact O-N 3.1Å; L352-G354 PolarHBondContact O-N 2.89Å
355	I	96	Very high	96.8	Very high	25 Å²	25	39.2 Å²	39.2	13%	0.128	24%	0.243	C	C	.	.			trans	-105.7	132.7	-175.8	-61.4	170.2	0	0	0	109.6	M126 L127 N130 L350 A353	M126-I355 HydrophobicContact CE-CG2 3.72Å; M126-I355 WeakPolarHBondContact O-CD1 3.46Å; L127-I355 HydrophobicContact CD2-CD1 4.13Å; N130-I355 HydrophobicContact CB-CD1 3.8Å; N130-I355 HydrophobicContact CB-CG1 4.05Å; L350-I355 CarbonylContact C-O 3.49Å; L350-I355 HydrophobicContact CB-CB 4.25Å; L350-I355 HydrophobicContact CD2-CB 4.32Å; L350-I355 HydrophobicContact CD2-CD1 4.45Å; L350-I355 HydrophobicContact CD2-CG2 4.14Å; L350-I355 PolarHBondContact O-N 2.74Å; A353-I355 VanDerWaalsContact C-N 3.34Å; A353-I355 HydrophobicContact CB-CD1 3.68Å; A353-I355 HydrophobicContact CB-CG1 3.95Å
356	S	95.3	Very high	96.6	Very high	100 Å²	100	42.2 Å²	42.2	70%	0.699	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-73.7	136.2	171.4	-57.5	0	0	0	0	111.1	M126	M126-S356 WeakPolarHBondContact CE-O 3.14Å
357	P	94.8	Very high	96.5	Very high	59 Å²	59	45 Å²	45	38%	0.383	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.6	158	174.3	24.2	-31.7	0	0	0	112	L350 D359 L363	L350-P357 HydrophobicContact CD1-CB 4.2Å; P357-D359 PolarHBondContact O-N 3.2Å; P357-L363 HydrophobicContact CB-CD1 3.4Å; P357-L363 HydrophobicContact CG-CD1 4.45Å
358	P	94.3	Very high	96.4	Very high	19 Å²	19	44.5 Å²	44.5	12%	0.123	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-54.9	135.2	170.1	-23.9	33.9	0	0	0	111.9	I121 M126 R361	I121-P358 HydrophobicContact CD1-CB 4.29Å; I121-P358 HydrophobicContact CD1-CG 4.09Å; I121-P358 HydrophobicContact CG2-CG 4.44Å; M126-P358 HydrophobicContact CE-CG 4.19Å; M126-P358 HydrophobicContact SD-CG 4.25Å; P358-R361 HydrophobicContact CB-CG 4.23Å
359	D	95.3	Very high	96.2	Very high	162 Å²	162	45.6 Å²	45.6	87%	0.866	28%	0.278	S	S	*	.	S	Bend	trans	-104.6	-4.4	-179.2	63	-12.3	0	0	0	113.3	P357 R361	P357-D359 PolarHBondContact O-N 3.2Å; D359-R361 VanDerWaalsContact C-N 3.33Å
360	D	95.9	Very high	95.8	Very high	107 Å²	107	48.1 Å²	48.1	57%	0.572	29%	0.294	S	S	*	.	S	Bend	trans	-84.4	-5	179.6	72.4	-27.7	0	0	0	113.7
361	R	95.6	Very high	95.5	Very high	56 Å²	56	48.6 Å²	48.6	21%	0.211	30%	0.297	C	S	.	.	S	Bend	trans	-148.4	157.4	-174	69.3	-166.4	67	-155	-5.3	112.1	D119 E120 P358 D359 L363	D119-R361 PolarHBondContact O-NH1 3.45Å; D119-R361 PolarHBondContact O-NH2 3.22Å; E120-R361 IonicContact OE2-NH1 2.73Å; P358-R361 HydrophobicContact CB-CG 4.23Å; D359-R361 VanDerWaalsContact C-N 3.33Å; R361-L363 HydrophobicContact CG-CD2 4.32Å; R361-L363 PolarHBondContact O-N 3.23Å
362	T	96	Very high	95.4	Very high	69 Å²	69	47.1 Å²	47.1	42%	0.423	28%	0.284	S	S	.	.			trans	-70	128.6	169.6	-50.8	0	0	0	0	110.2	R89	R89-T362 VanDerWaalsContact CG-O 3.32Å; R89-T362 WeakPolarHBondContact CG-O 3.43Å; R89-T362 PolarHBondContact NH1-O 2.8Å
363	L	96.8	Very high	95.2	Very high	41 Å²	41	48.9 Å²	48.9	22%	0.215	29%	0.293	C	S	.	.			trans	-103	139.6	162.9	-61.8	-176.5	0	0	0	109.2	R89 F346 P357 R361	R89-L363 HydrophobicContact CG-CD2 3.86Å; F346-L363 HydrophobicContact CD1-CD1 4.31Å; F346-L363 HydrophobicContact CE1-CD1 3.97Å; F346-L363 HydrophobicContact CE1-CD2 4.21Å; P357-L363 HydrophobicContact CB-CD1 3.4Å; P357-L363 HydrophobicContact CG-CD1 4.45Å; R361-L363 HydrophobicContact CG-CD2 4.32Å; R361-L363 PolarHBondContact O-N 3.23Å
364	D	97.6	Very high	94.4	Very high	27 Å²	27	55.1 Å²	55.1	14%	0.144	33%	0.326	C	S	.	.			trans	-97.3	-22.5	175.5	-56.2	-76.9	0	0	0	111.1	G88 R89 L90 R93 M343 R382	G88-D364 PolarHBondContact O-N 2.92Å; R89-D364 WeakPolarHBondContact CA-OD2 3.36Å; L90-D364 HydrophobicContact CG-CB 4.15Å; L90-D364 PolarHBondContact N-OD2 2.86Å; R93-D364 WeakPolarHBondContact CD-OD2 3.32Å; R93-D364 IonicContact CZ-OD1 2.74Å; R93-D364 VanDerWaalsContact NE-CG 3.32Å; R93-D364 IonicContact NE-OD1 2.66Å; R93-D364 PolarHBondContact NE-OD1 3.43Å; R93-D364 IonicContact NE-OD2 3.45Å; R93-D364 PolarHBondContact NE-OD2 2.92Å; R93-D364 IonicContact NH2-OD1 2.85Å; R93-D364 PolarHBondContact NH2-OD1 2.96Å; M343-D364 HydrophobicContact CE-CB 3.72Å; M343-D364 HydrophobicContact SD-CB 3.74Å; D364-R382 PolarHBondContact O-NH2 2.9Å
365	G	97.3	Very high	93	Very high	5 Å²	5	53.6 Å²	53.6	5%	0.052	31%	0.31	C	S	.	.			trans	-72.7	134.6	174.7	0	0	0	0	0	113.3	G88 M343 D344 T347	G88-G365 PolarHBondContact O-N 2.96Å; M343-G365 WeakPolarHBondContact O-CA 3.12Å; D344-G365 WeakPolarHBondContact OD1-CA 3.45Å; T347-G365 VanDerWaalsContact OG1-C 3.3Å; T347-G365 PolarHBondContact OG1-O 3.47Å
366	L	95.9	Very high	91.5	Very high	67 Å²	67	54.9 Å²	54.9	35%	0.351	32%	0.322	S	S	.	.			trans	-101.7	158.1	178	-59.1	-179.6	0	0	0	111.7	D344 T348 L368 R382	D344-L366 WeakPolarHBondContact CA-O 3.38Å; D344-L366 WeakPolarHBondContact CB-O 3.44Å; D344-L366 PolarHBondContact OD1-N 3.47Å; T348-L366 PolarHBondContact OG1-O 2.84Å; L366-L368 PolarHBondContact O-N 3.14Å; L366-R382 HydrophobicContact CD1-CB 3.69Å; L366-R382 HydrophobicContact CD1-CG 3.92Å
367	D	95.6	Very high	89.8	Confident	59 Å²	59	58.9 Å²	58.9	32%	0.316	33%	0.329	S	S	.	.			trans	-77.9	113.5	170.9	178.2	9.2	0	0	0	110.2	T347 A351 T369 P370	T347-D367 HydrophobicContact CG2-CB 4.13Å; A351-D367 HydrophobicContact CB-CB 4.48Å; A351-D367 WeakPolarHBondContact CB-OD2 3.49Å; D367-T369 VanDerWaalsContact CG-OG1 3.24Å; D367-T369 VanDerWaalsContact OD1-CB 3.29Å; D367-T369 WeakPolarHBondContact OD1-CB 3.48Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.29Å; D367-T369 PolarHBondContact OD1-N 3.16Å; D367-T369 PolarHBondContact OD1-OG1 3.42Å; D367-T369 PolarHBondContact OD2-OG1 3.36Å; D367-P370 WeakPolarHBondContact O-CD 3.41Å
368	L	95.7	Very high	88.1	Confident	5 Å²	5	63.4 Å²	63.4	3%	0.026	35%	0.345	C	S	.	.			trans	-87.5	-1.2	178	-63.4	175.6	0	0	0	113.5	A340 D344 T348 L366 P370 V371 L372	A340-L368 HydrophobicContact CB-CD1 4.04Å; A340-L368 HydrophobicContact CB-CD2 4.3Å; D344-L368 HydrophobicContact CB-CD1 3.55Å; D344-L368 HydrophobicContact CB-CD2 4.4Å; D344-L368 HydrophobicContact CB-CG 3.74Å; T348-L368 HydrophobicContact CG2-CB 4.24Å; T348-L368 WeakPolarHBondContact OG1-CB 3.38Å; T348-L368 PolarHBondContact OG1-N 3.27Å; L366-L368 PolarHBondContact O-N 3.14Å; L368-P370 VanDerWaalsContact C-N 3.29Å; L368-V371 WeakPolarHBondContact O-CA 3.48Å; L368-V371 WeakPolarHBondContact O-CB 3.24Å; L368-V371 PolarHBondContact O-N 2.97Å; L368-L372 HydrophobicContact CB-CD1 3.9Å; L368-L372 HydrophobicContact CB-CG 4.06Å; L368-L372 VanDerWaalsContact O-CG 3.31Å; L368-L372 WeakPolarHBondContact O-CG 3.33Å; L368-L372 PolarHBondContact O-N 2.92Å
369	T	94.5	Very high	86.7	Confident	25 Å²	25	67.1 Å²	67.1	15%	0.153	36%	0.363	C	S	.	.	H	α-helix	trans	-54.5	-36.2	179.1	63.2	0	0	0	0	113.8	T348 A351 L352 D367 V371 L372 L373	T348-T369 HydrophobicContact CG2-CG2 4.12Å; A351-T369 HydrophobicContact CB-CG2 4.11Å; L352-T369 HydrophobicContact CD2-CG2 3.66Å; L352-T369 HydrophobicContact CG-CG2 4.09Å; D367-T369 VanDerWaalsContact CG-OG1 3.24Å; D367-T369 VanDerWaalsContact OD1-CB 3.29Å; D367-T369 WeakPolarHBondContact OD1-CB 3.48Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.29Å; D367-T369 PolarHBondContact OD1-N 3.16Å; D367-T369 PolarHBondContact OD1-OG1 3.42Å; D367-T369 PolarHBondContact OD2-OG1 3.36Å; T369-V371 VanDerWaalsContact C-N 3.28Å; T369-V371 PolarHBondContact O-N 3.3Å; T369-L372 PolarHBondContact O-N 3.01Å; T369-L373 HydrophobicContact CG2-CD1 4.33Å; T369-L373 VanDerWaalsContact O-CB 3.31Å; T369-L373 WeakPolarHBondContact O-CB 3.48Å; T369-L373 WeakPolarHBondContact O-CG 3.44Å; T369-L373 PolarHBondContact O-N 3.26Å
370	P	91.9	Very high	85.6	Confident	52 Å²	52	63.8 Å²	63.8	34%	0.338	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-31.6	175.3	-22	35.9	0	0	0	113.3	D367 L368 N374 S376	D367-P370 WeakPolarHBondContact O-CD 3.41Å; L368-P370 VanDerWaalsContact C-N 3.29Å; P370-N374 WeakPolarHBondContact O-CB 3.42Å; P370-N374 PolarHBondContact O-N 3.46Å; P370-S376 WeakPolarHBondContact O-CB 3.25Å; P370-S376 PolarHBondContact O-N 2.85Å
371	V	92.1	Very high	85	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.067	35%	0.346	C	S	.	.	H	α-helix	trans	-78.5	-44.3	178.7	178	0	0	0	0	110.2	S336 Q338 L368 T369	S336-V371 WeakPolarHBondContact OG-CG1 3.25Å; Q338-V371 HydrophobicContact CB-CG1 3.94Å; Q338-V371 HydrophobicContact CB-CG2 4.38Å; Q338-V371 HydrophobicContact CG-CG1 4.34Å; Q338-V371 HydrophobicContact CG-CG2 4.01Å; L368-V371 WeakPolarHBondContact O-CA 3.48Å; L368-V371 WeakPolarHBondContact O-CB 3.24Å; L368-V371 PolarHBondContact O-N 2.97Å; T369-V371 VanDerWaalsContact C-N 3.28Å; T369-V371 PolarHBondContact O-N 3.3Å
372	L	93.8	Very high	84.9	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-76.2	-42.7	-173.8	-62.8	175.2	0	0	0	112.6	I66 L68 F282 A324 I330 T348 L368 T369	I66-L372 HydrophobicContact CG2-CD2 3.64Å; L68-L372 HydrophobicContact CD1-CD2 4.44Å; F282-L372 HydrophobicContact CE2-CD1 3.97Å; F282-L372 HydrophobicContact CZ-CD1 4.05Å; A324-L372 HydrophobicContact CB-CD1 4.48Å; A324-L372 HydrophobicContact CB-CD2 3.77Å; I330-L372 HydrophobicContact CD1-CB 4.34Å; I330-L372 HydrophobicContact CG1-CB 4.47Å; T348-L372 HydrophobicContact CG2-CD1 4.09Å; L368-L372 HydrophobicContact CB-CD1 3.9Å; L368-L372 HydrophobicContact CB-CG 4.06Å; L368-L372 VanDerWaalsContact O-CG 3.31Å; L368-L372 WeakPolarHBondContact O-CG 3.33Å; L368-L372 PolarHBondContact O-N 2.92Å; T369-L372 PolarHBondContact O-N 3.01Å
373	L	91.7	Very high	84.9	Confident	59 Å²	59	60.7 Å²	60.7	31%	0.309	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-41.1	-169.7	-53	-175.1	0	0	0	112.9	W326 H329 I330 T369	W326-L373 HydrophobicContact CE3-CD2 3.84Å; W326-L373 HydrophobicContact CZ3-CD1 4.23Å; W326-L373 HydrophobicContact CZ3-CD2 3.9Å; H329-L373 HydrophobicContact CB-CD2 4.1Å; I330-L373 HydrophobicContact CG1-CD2 3.99Å; T369-L373 HydrophobicContact CG2-CD1 4.33Å; T369-L373 VanDerWaalsContact O-CB 3.31Å; T369-L373 WeakPolarHBondContact O-CB 3.48Å; T369-L373 WeakPolarHBondContact O-CG 3.44Å; T369-L373 PolarHBondContact O-N 3.26Å
374	N	81.6	Confident	85	Confident	133 Å²	133	58.8 Å²	58.8	71%	0.711	32%	0.321	S	S	*	.	S	Bend	trans	-94.4	-6.8	-173.8	-59.6	-20.2	0	0	0	112.5	P370 S376	P370-N374 WeakPolarHBondContact O-CB 3.42Å; P370-N374 PolarHBondContact O-N 3.46Å; N374-S376 PolarHBondContact O-N 3.16Å
375	G	65.9	Low	85	Confident	38 Å²	38	58.7 Å²	58.7	39%	0.392	32%	0.319	S	S	.	.			trans	55.6	30.7	-172.9	0	0	0	0	0	112	H377	G375-H377 PolarHBondContact O-N 3.24Å
376	S	65	Low	85.1	Confident	52 Å²	52	58.5 Å²	58.5	36%	0.364	32%	0.317	S	S	.	.			trans	-54	114.7	-179.6	-178.5	0	0	0	0	108.8	P370 N374 Q378	P370-S376 WeakPolarHBondContact O-CB 3.25Å; P370-S376 PolarHBondContact O-N 2.85Å; N374-S376 PolarHBondContact O-N 3.16Å; S376-Q378 PolarHBondContact O-N 3.18Å; S376-Q378 PolarHBondContact OG-N 2.78Å
377	H	57.9	Low	85.3	Confident	183 Å²	183	55.6 Å²	55.6	85%	0.847	30%	0.301	S	S	*	.			trans	-77.8	-4.8	175.6	-64.3	-59.5	0	0	0	112.1	G375 L379	G375-H377 PolarHBondContact O-N 3.24Å; H377-L379 VanDerWaalsContact C-N 3.33Å; H377-L379 PolarHBondContact O-N 3.48Å
378	Q	60.1	Low	85.4	Confident	155 Å²	155	52.8 Å²	52.8	72%	0.724	29%	0.286	S	S	*	.			trans	-73.7	95.8	172.8	-166.2	164.3	8.2	0	0	107.7	S376 D380	S376-Q378 PolarHBondContact O-N 3.18Å; S376-Q378 PolarHBondContact OG-N 2.78Å; Q378-D380 PolarHBondContact O-N 2.95Å
379	L	64.5	Low	85.5	Confident	97 Å²	97	52.7 Å²	52.7	51%	0.508	29%	0.286	S	S	.	.			trans	-63.4	116.9	173	-64.4	169.4	0	0	0	107.8	L337 Q338 H377 N381	L337-L379 HydrophobicContact CB-CD2 4.5Å; Q338-L379 HydrophobicContact CB-CD2 4.11Å; Q338-L379 VanDerWaalsContact OE1-CA 3.3Å; H377-L379 VanDerWaalsContact C-N 3.33Å; H377-L379 PolarHBondContact O-N 3.48Å; L379-N381 PolarHBondContact O-N 3.48Å
380	D	72	Confident	85.6	Confident	91 Å²	91	54 Å²	54	49%	0.487	29%	0.292	S	S	.	.			trans	-66	120	167.3	-81.8	-24.8	0	0	0	107.3	Q338 Q378 R382	Q338-D380 PolarHBondContact NE2-O 2.72Å; Q378-D380 PolarHBondContact O-N 2.95Å; D380-R382 PolarHBondContact O-N 3.35Å
381	N	82.9	Confident	85.9	Confident	110 Å²	110	53.4 Å²	53.4	59%	0.588	29%	0.285	S	S	*	.			trans	-75.5	55.3	176.4	-167.2	33.8	0	0	0	110.5	L379 L397 G398	L379-N381 PolarHBondContact O-N 3.48Å; N381-L397 WeakPolarHBondContact O-CD1 3.02Å; N381-G398 PolarHBondContact OD1-N 3.23Å
382	R	93	Very high	86.2	Confident	22 Å²	22	53.2 Å²	53.2	8%	0.083	28%	0.284	C	S	.	.			trans	-78.3	140.5	179.2	70.1	90.6	68.7	105	1.1	110.4	P339 A340 N341 D344 D364 L366 D380 I384	P339-R382 HydrophobicContact CB-CG 4.47Å; P339-R382 WeakPolarHBondContact O-CD 3.49Å; P339-R382 PolarHBondContact O-NH1 3.28Å; P339-R382 VanDerWaalsContact O-NH1 3.13Å; A340-R382 VanDerWaalsContact CA-NH1 3.34Å; N341-R382 VanDerWaalsContact N-NH1 3.19Å; D344-R382 IonicContact OD1-CZ 3.53Å; D344-R382 IonicContact OD1-NH1 3.46Å; D344-R382 IonicContact OD1-NH2 3Å; D344-R382 PolarHBondContact OD1-NH2 2.69Å; D344-R382 IonicContact OD2-CZ 3.78Å; D344-R382 IonicContact OD2-NH1 2.69Å; D344-R382 PolarHBondContact OD2-NH1 2.86Å; D344-R382 IonicContact OD2-NH2 2.74Å; D344-R382 PolarHBondContact OD2-NH2 3.18Å; D364-R382 PolarHBondContact O-NH2 2.9Å; L366-R382 HydrophobicContact CD1-CB 3.69Å; L366-R382 HydrophobicContact CD1-CG 3.92Å; D380-R382 PolarHBondContact O-N 3.35Å; R382-I384 VanDerWaalsContact CD-CD1 3.45Å
383	P	97.3	Very high	86.5	Confident	35 Å²	35	53 Å²	53	23%	0.227	28%	0.282	C	S	.	.			trans	-74.8	149.9	171.6	30.6	-34.8	0	0	0	112.1	F385 V395 R396 L397 V473	P383-F385 HydrophobicContact CB-CE1 4.18Å; P383-F385 HydrophobicContact CB-CE2 3.86Å; P383-F385 HydrophobicContact CB-CZ 3.66Å; P383-F385 HydrophobicContact CG-CD2 4.46Å; P383-F385 HydrophobicContact CG-CE1 4.5Å; P383-F385 HydrophobicContact CG-CE2 3.51Å; P383-F385 HydrophobicContact CG-CZ 3.52Å; P383-V395 HydrophobicContact CB-CG1 4.2Å; P383-R396 CarbonylContact C-O 3.56Å; P383-R396 VanDerWaalsContact CA-O 3.28Å; P383-R396 WeakPolarHBondContact CA-O 3.4Å; P383-L397 HydrophobicContact CB-CD1 4.49Å; P383-V473 HydrophobicContact CB-CG1 3.59Å; P383-V473 HydrophobicContact CG-CG1 3.58Å
384	I	98.6	Very high	86.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.3	162.4	-52.1	-65.6	0	0	0	107.3	Y72 P339 N341 R382 F386 V395 R396	Y72-I384 HydrophobicContact CD1-CG2 4.46Å; Y72-I384 HydrophobicContact CD2-CD1 4.34Å; Y72-I384 HydrophobicContact CD2-CG1 4Å; Y72-I384 HydrophobicContact CD2-CG2 4.26Å; Y72-I384 HydrophobicContact CE2-CG1 4.4Å; Y72-I384 HydrophobicContact CG-CG2 3.97Å; P339-I384 HydrophobicContact CB-CD1 4.34Å; P339-I384 HydrophobicContact CB-CG1 4.22Å; N341-I384 HydrophobicContact CB-CD1 4.21Å; R382-I384 VanDerWaalsContact CD-CD1 3.45Å; I384-F386 HydrophobicContact CB-CE2 3.91Å; I384-F386 HydrophobicContact CB-CZ 4.37Å; I384-F386 HydrophobicContact CG2-CD2 4.22Å; I384-F386 HydrophobicContact CG2-CE2 3.62Å; I384-F386 HydrophobicContact CG2-CZ 3.81Å; I384-F386 WeakPolarHBondContact O-CD2 3.41Å; I384-F386 WeakPolarHBondContact O-CE2 3.27Å; I384-V395 CarbonylContact O-C 3.5Å; I384-V395 WeakPolarHBondContact O-CA 3.37Å; I384-R396 HydrophobicContact CB-CB 4.17Å; I384-R396 PolarHBondContact N-O 3.42Å; I384-R396 PolarHBondContact O-N 3.04Å
385	F	98.7	Very high	87.6	Confident	25 Å²	25	43.8 Å²	43.8	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.3	177.7	-58	-77.3	0	0	0	109.7	L90 P383 Y387 M392 V395 V473 H477	L90-F385 HydrophobicContact CD1-CD2 4.42Å; P383-F385 HydrophobicContact CB-CE1 4.18Å; P383-F385 HydrophobicContact CB-CE2 3.86Å; P383-F385 HydrophobicContact CB-CZ 3.66Å; P383-F385 HydrophobicContact CG-CD2 4.46Å; P383-F385 HydrophobicContact CG-CE1 4.5Å; P383-F385 HydrophobicContact CG-CE2 3.51Å; P383-F385 HydrophobicContact CG-CZ 3.52Å; F385-Y387 HydrophobicContact CB-CD2 4.14Å; F385-Y387 HydrophobicContact CB-CE2 3.91Å; F385-M392 HydrophobicContact CD1-CG 4.49Å; F385-M392 HydrophobicContact CD1-SD 3.75Å; F385-M392 HydrophobicContact CE1-SD 4.33Å; F385-V395 HydrophobicContact CD1-CB 4.37Å; F385-V395 HydrophobicContact CD1-CG1 3.95Å; F385-V395 HydrophobicContact CD1-CG2 3.56Å; F385-V395 HydrophobicContact CE1-CG1 3.91Å; F385-V395 HydrophobicContact CE1-CG2 3.99Å; F385-V473 HydrophobicContact CE1-CG1 4.27Å; F385-V473 HydrophobicContact CZ-CG1 3.89Å; F385-H477 AromaticContact CD1-CD2 3.85Å; F385-H477 HydrophobicContact CE1-CB 3.66Å; F385-H477 AromaticContact CE1-CD2 3.83Å; F385-H477 AromaticContact CE1-CG 3.69Å; F385-H477 HydrophobicContact CE2-CB 4.28Å; F385-H477 AromaticContact CE2-CG 3.97Å; F385-H477 AromaticContact CE2-ND1 3.88Å; F385-H477 HydrophobicContact CZ-CB 3.51Å; F385-H477 AromaticContact CZ-CG 3.61Å; F385-H477 AromaticContact CZ-ND1 4Å
386	F	98.9	Very high	89.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.1	-178.5	-61.8	-108.9	0	0	0	108.3	Y72 T313 M318 I384 M392 M393 A394 R396 K401	Y72-F386 AromaticContact CD1-CE1 3.7Å; Y72-F386 HydrophobicContact CD1-CE1 3.7Å; Y72-F386 AromaticContact CD1-CZ 3.66Å; Y72-F386 HydrophobicContact CD1-CZ 3.66Å; Y72-F386 AromaticContact CE1-CE1 3.84Å; Y72-F386 HydrophobicContact CE1-CE1 3.84Å; Y72-F386 AromaticContact CE1-CZ 3.57Å; Y72-F386 HydrophobicContact CE1-CZ 3.57Å; Y72-F386 HydrophobicContact CG-CZ 4.43Å; T313-F386 HydrophobicContact CG2-CB 4.14Å; M318-F386 HydrophobicContact CB-CD1 4.04Å; M318-F386 HydrophobicContact CB-CE1 4.03Å; M318-F386 HydrophobicContact CE-CB 4.27Å; M318-F386 HydrophobicContact CE-CD1 3.77Å; M318-F386 HydrophobicContact CE-CE1 4.46Å; M318-F386 HydrophobicContact CE-CG 4.25Å; M318-F386 HydrophobicContact CG-CD1 4.36Å; M318-F386 HydrophobicContact SD-CB 4.06Å; M318-F386 HydrophobicContact SD-CD1 3.55Å; M318-F386 VanDerWaalsContact SD-CD1 3.55Å; M318-F386 HydrophobicContact SD-CE1 4.45Å; M318-F386 HydrophobicContact SD-CG 4.23Å; I384-F386 HydrophobicContact CB-CE2 3.91Å; I384-F386 HydrophobicContact CB-CZ 4.37Å; I384-F386 HydrophobicContact CG2-CD2 4.22Å; I384-F386 HydrophobicContact CG2-CE2 3.62Å; I384-F386 HydrophobicContact CG2-CZ 3.81Å; I384-F386 WeakPolarHBondContact O-CD2 3.41Å; I384-F386 WeakPolarHBondContact O-CE2 3.27Å; F386-M392 CarbonylContact O-C 3.46Å; F386-M393 PolarHBondContact O-N 3.36Å; F386-A394 HydrophobicContact CB-CB 4.05Å; F386-A394 HydrophobicContact CD2-CB 4.23Å; F386-A394 HydrophobicContact CG-CB 4.29Å; F386-A394 PolarHBondContact N-O 3.21Å; F386-A394 PolarHBondContact O-N 3.16Å; F386-R396 HydrophobicContact CE2-CB 3.76Å; F386-R396 HydrophobicContact CZ-CB 4.33Å; F386-K401 HydrophobicContact CZ-CD 4.47Å
387	Y	98.8	Very high	90.7	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.3	178.4	-85.3	-95.1	0	0	0	111.5	N75 P76 L90 V92 F385 E391 M392 H477 L481	N75-Y387 PolarHBondContact ND2-O 3.29Å; N75-Y387 VanDerWaalsContact ND2-O 3.12Å; P76-Y387 WeakPolarHBondContact CD-O 3.25Å; L90-Y387 HydrophobicContact CD1-CE2 4.1Å; L90-Y387 HydrophobicContact CD2-CD2 4.32Å; V92-Y387 HydrophobicContact CB-CD1 4.24Å; V92-Y387 HydrophobicContact CB-CE1 4.12Å; V92-Y387 HydrophobicContact CG1-CD1 4.23Å; V92-Y387 HydrophobicContact CG1-CE1 3.87Å; V92-Y387 HydrophobicContact CG1-CE2 4.22Å; V92-Y387 HydrophobicContact CG2-CE1 4.3Å; F385-Y387 HydrophobicContact CB-CD2 4.14Å; F385-Y387 HydrophobicContact CB-CE2 3.91Å; Y387-E391 CarbonylContact C-O 3.37Å; Y387-E391 VanDerWaalsContact CA-O 3.25Å; Y387-E391 WeakPolarHBondContact CA-O 3.35Å; Y387-E391 VanDerWaalsContact CD1-C 3.47Å; Y387-E391 VanDerWaalsContact CD1-O 3.24Å; Y387-E391 WeakPolarHBondContact CD1-O 3.24Å; Y387-M392 HydrophobicContact CD1-CB 4.34Å; Y387-M392 HydrophobicContact CD2-CG 4.45Å; Y387-M392 HydrophobicContact CE1-CB 3.79Å; Y387-M392 HydrophobicContact CE2-CB 4.07Å; Y387-M392 HydrophobicContact CE2-CG 3.92Å; Y387-H477 AromaticContact CE2-NE2 3.66Å; Y387-H477 AromaticContact CZ-NE2 3.66Å; Y387-H477 PolarHBondContact OH-NE2 2.98Å; Y387-L481 WeakPolarHBondContact OH-CD2 3.06Å
388	R	98.6	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.6	163.3	-162.1	-175.2	173.4	152.4	-4.2	107	A103 N105 E311 T313 N390 E391 M393 W407 S408 H524	A103-R388 WeakPolarHBondContact CA-O 3.34Å; A103-R388 WeakPolarHBondContact O-CD 3.43Å; A103-R388 WeakPolarHBondContact O-CG 3.3Å; A103-R388 PolarHBondContact O-NE 2.95Å; A103-R388 VanDerWaalsContact O-NE 3.15Å; N105-R388 PolarHBondContact ND2-NE 3.31Å; N105-R388 WeakPolarHBondContact OD1-CG 3.43Å; E311-R388 PolarHBondContact O-NH1 3.15Å; T313-R388 HydrophobicContact CG2-CB 4.01Å; R388-N390 PolarHBondContact O-N 2.81Å; R388-E391 PolarHBondContact N-O 3.38Å; R388-E391 PolarHBondContact O-N 2.76Å; R388-M393 HydrophobicContact CB-CG 3.47Å; R388-M393 VanDerWaalsContact CB-CG 3.47Å; R388-M393 HydrophobicContact CB-SD 3.91Å; R388-W407 VanDerWaalsContact CZ-CZ3 3.47Å; R388-W407 PolarHBondContact NH1-O 3.23Å; R388-W407 VanDerWaalsContact NH2-CE3 3.32Å; R388-W407 VanDerWaalsContact NH2-CZ3 3.29Å; R388-S408 PolarHBondContact NH1-O 3.39Å; R388-S408 PolarHBondContact NH2-O 3.46Å; R388-H524 VanDerWaalsContact CZ-OXT 3.22Å; R388-H524 PolarHBondContact NE-OXT 3.36Å; R388-H524 PolarHBondContact NH2-OXT 3.16Å
389	G	97.5	Very high	94.2	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-123.4	-171.5	0	0	0	0	0	113.3	R104 E391	R104-G389 WeakPolarHBondContact O-CA 3.13Å; R104-G389 PolarHBondContact O-N 2.79Å; G389-E391 VanDerWaalsContact C-N 3.34Å
390	N	97.6	Very high	95.8	Very high	52 Å²	52	26.8 Å²	26.8	28%	0.278	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	3.7	179.4	69.4	-28.3	0	0	0	114.7	Y97 T99 A103 R388	Y97-N390 HydrophobicContact CD2-CB 3.66Å; Y97-N390 HydrophobicContact CE2-CB 3.72Å; T99-N390 HydrophobicContact CG2-CB 4.26Å; A103-N390 PolarHBondContact N-OD1 3.09Å; A103-N390 VanDerWaalsContact N-OD1 3.08Å; R388-N390 PolarHBondContact O-N 2.81Å
391	E	98.2	Very high	97.1	Very high	40 Å²	40	22.4 Å²	22.4	19%	0.187	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.1	-172.2	-171.8	51.6	-144.1	0	0	113.5	H102 A103 Y387 R388 G389 M393 W405	H102-E391 VanDerWaalsContact CE1-CD 3.48Å; H102-E391 WeakPolarHBondContact CE1-CG 3.36Å; H102-E391 IonicContact CE1-OE2 3.78Å; H102-E391 PolarHBondContact CE1-OE2 2.05Å; H102-E391 IonicContact ND1-OE2 2.74Å; A103-E391 HydrophobicContact CB-CB 3.95Å; Y387-E391 CarbonylContact C-O 3.37Å; Y387-E391 VanDerWaalsContact CA-O 3.25Å; Y387-E391 WeakPolarHBondContact CA-O 3.35Å; Y387-E391 VanDerWaalsContact CD1-C 3.47Å; Y387-E391 VanDerWaalsContact CD1-O 3.24Å; Y387-E391 WeakPolarHBondContact CD1-O 3.24Å; R388-E391 PolarHBondContact N-O 3.38Å; R388-E391 PolarHBondContact O-N 2.76Å; G389-E391 VanDerWaalsContact C-N 3.34Å; E391-M393 HydrophobicContact CB-SD 3.99Å; E391-M393 HydrophobicContact CG-SD 3.82Å; E391-M393 PolarHBondContact O-N 3.17Å; E391-W405 HydrophobicContact CG-CD2 4.43Å; E391-W405 HydrophobicContact CG-CG 4.07Å; E391-W405 PolarHBondContact OE1-NE1 3.14Å
392	M	98.5	Very high	97.9	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.034	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	88.5	174.2	-171.2	-162.6	68.8	0	0	109.3	F385 F386 Y387 V395 Y404 V474	F385-M392 HydrophobicContact CD1-CG 4.49Å; F385-M392 HydrophobicContact CD1-SD 3.75Å; F385-M392 HydrophobicContact CE1-SD 4.33Å; F386-M392 CarbonylContact O-C 3.46Å; Y387-M392 HydrophobicContact CD1-CB 4.34Å; Y387-M392 HydrophobicContact CD2-CG 4.45Å; Y387-M392 HydrophobicContact CE1-CB 3.79Å; Y387-M392 HydrophobicContact CE2-CB 4.07Å; Y387-M392 HydrophobicContact CE2-CG 3.92Å; M392-V395 HydrophobicContact CE-CG2 3.74Å; M392-V395 HydrophobicContact CG-CG2 4.19Å; M392-V395 HydrophobicContact SD-CG2 3.5Å; M392-V395 VanDerWaalsContact SD-CG2 3.5Å; M392-Y404 HydrophobicContact CE-CD2 3.94Å; M392-Y404 HydrophobicContact CE-CE2 4.21Å; M392-Y404 HydrophobicContact CE-CG 4.45Å; M392-V474 HydrophobicContact CE-CB 4.41Å; M392-V474 HydrophobicContact CE-CG1 3.62Å; M392-V474 HydrophobicContact CE-CG2 3.94Å; M392-V474 HydrophobicContact SD-CG1 4.47Å; M392-V474 HydrophobicContact SD-CG2 4.49Å
393	M	98.8	Very high	98.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-41.7	-174.1	-53.1	-61.8	-74.9	0	0	112.8	A103 T313 F386 R388 E391 H403 Y404 W405 W407	A103-M393 HydrophobicContact CB-CE 4.34Å; A103-M393 HydrophobicContact CB-SD 3.82Å; T313-M393 HydrophobicContact CG2-CB 3.84Å; T313-M393 HydrophobicContact CG2-CG 3.67Å; T313-M393 VanDerWaalsContact OG1-CB 3.25Å; T313-M393 WeakPolarHBondContact OG1-CB 3.35Å; F386-M393 PolarHBondContact O-N 3.36Å; R388-M393 HydrophobicContact CB-CG 3.47Å; R388-M393 VanDerWaalsContact CB-CG 3.47Å; R388-M393 HydrophobicContact CB-SD 3.91Å; E391-M393 HydrophobicContact CB-SD 3.99Å; E391-M393 HydrophobicContact CG-SD 3.82Å; E391-M393 PolarHBondContact O-N 3.17Å; M393-H403 CarbonylContact O-C 3.49Å; M393-Y404 PolarHBondContact O-N 3.06Å; M393-W405 HydrophobicContact CE-CB 3.48Å; M393-W405 VanDerWaalsContact CE-CB 3.48Å; M393-W405 PolarHBondContact O-N 2.8Å; M393-W405 HydrophobicContact SD-CB 3.68Å; M393-W405 HydrophobicContact SD-CG 4.32Å; M393-W407 HydrophobicContact CE-CB 4.22Å
394	A	98.9	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	161.3	-176.7	0	0	0	0	0	112.9	F386 K401 A402 H403	F386-A394 HydrophobicContact CB-CB 4.05Å; F386-A394 HydrophobicContact CD2-CB 4.23Å; F386-A394 HydrophobicContact CG-CB 4.29Å; F386-A394 PolarHBondContact N-O 3.21Å; F386-A394 PolarHBondContact O-N 3.16Å; A394-K401 HydrophobicContact CB-CG 4.41Å; A394-A402 CarbonylContact C-O 3.58Å; A394-A402 WeakPolarHBondContact CA-O 3.37Å; A394-A402 WeakPolarHBondContact CB-O 3.22Å; A394-H403 HydrophobicContact CB-CB 4.46Å
395	V	98.8	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.9	172.6	-176.3	0	0	0	0	110.4	P383 I384 F385 M392 K401 A402 Y404 V470 V474	P383-V395 HydrophobicContact CB-CG1 4.2Å; I384-V395 CarbonylContact O-C 3.5Å; I384-V395 WeakPolarHBondContact O-CA 3.37Å; F385-V395 HydrophobicContact CD1-CB 4.37Å; F385-V395 HydrophobicContact CD1-CG1 3.95Å; F385-V395 HydrophobicContact CD1-CG2 3.56Å; F385-V395 HydrophobicContact CE1-CG1 3.91Å; F385-V395 HydrophobicContact CE1-CG2 3.99Å; M392-V395 HydrophobicContact CE-CG2 3.74Å; M392-V395 HydrophobicContact CG-CG2 4.19Å; M392-V395 HydrophobicContact SD-CG2 3.5Å; M392-V395 VanDerWaalsContact SD-CG2 3.5Å; V395-K401 CarbonylContact O-C 3.59Å; V395-K401 WeakPolarHBondContact O-CA 2.96Å; V395-A402 PolarHBondContact N-O 2.88Å; V395-A402 PolarHBondContact O-N 2.98Å; V395-Y404 HydrophobicContact CG2-CE2 4.29Å; V395-V470 HydrophobicContact CB-CG1 4.18Å; V395-V470 HydrophobicContact CG1-CG1 4.33Å; V395-V474 HydrophobicContact CB-CG2 4.22Å; V395-V474 HydrophobicContact CG1-CG2 4.5Å; V395-V474 HydrophobicContact CG2-CG2 3.65Å
396	R	98.3	Very high	98.2	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.008	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.3	168.7	-179.9	-172.6	169.9	171.7	-0.6	110.1	N70 Y72 P383 I384 F386 G398 Y400 K401 L446	N70-R396 PolarHBondContact OD1-NH1 2.83Å; N70-R396 PolarHBondContact OD1-NH2 3.45Å; Y72-R396 WeakPolarHBondContact OH-CD 3.44Å; Y72-R396 PolarHBondContact OH-NH1 2.85Å; P383-R396 CarbonylContact C-O 3.56Å; P383-R396 VanDerWaalsContact CA-O 3.28Å; P383-R396 WeakPolarHBondContact CA-O 3.4Å; I384-R396 HydrophobicContact CB-CB 4.17Å; I384-R396 PolarHBondContact N-O 3.42Å; I384-R396 PolarHBondContact O-N 3.04Å; F386-R396 HydrophobicContact CE2-CB 3.76Å; F386-R396 HydrophobicContact CZ-CB 4.33Å; R396-G398 PolarHBondContact NE-O 3.22Å; R396-G398 PolarHBondContact NH2-O 3.13Å; R396-Y400 CarbonylContact C-O 3.54Å; R396-Y400 VanDerWaalsContact CA-O 3.25Å; R396-Y400 WeakPolarHBondContact CA-O 3.3Å; R396-Y400 WeakPolarHBondContact CG-O 3.32Å; R396-K401 HydrophobicContact CB-CB 4.44Å; R396-K401 HydrophobicContact CB-CG 4.44Å; R396-L446 HydrophobicContact CG-CD1 4.01Å
397	L	97.4	Very high	98.2	Very high	16 Å²	16	15.8 Å²	15.8	8%	0.084	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.3	168.5	-171	67.2	0	0	0	109.2	N381 P383 Q399 Y400 V470 V473	N381-L397 WeakPolarHBondContact O-CD1 3.02Å; P383-L397 HydrophobicContact CB-CD1 4.49Å; L397-Q399 PolarHBondContact O-N 3.12Å; L397-Y400 PolarHBondContact N-O 2.98Å; L397-Y400 PolarHBondContact O-N 3.39Å; L397-Y400 VanDerWaalsContact O-N 3.07Å; L397-V470 HydrophobicContact CB-CG2 4.06Å; L397-V470 HydrophobicContact CD2-CG2 4.42Å; L397-V473 HydrophobicContact CD1-CG2 4.42Å; L397-V473 HydrophobicContact CD2-CG2 4.02Å
398	G	94.8	Very high	98	Very high	23 Å²	23	15.6 Å²	15.6	24%	0.237	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-120	-173.3	0	0	0	0	0	112.3	N381 R396	N381-G398 PolarHBondContact OD1-N 3.23Å; R396-G398 PolarHBondContact NE-O 3.22Å; R396-G398 PolarHBondContact NH2-O 3.13Å
399	Q	96.4	Very high	97.8	Very high	72 Å²	72	15.6 Å²	15.6	34%	0.336	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.7	178.8	-66.1	-65.6	-21.5	0	0	113.5	L397 H445 L446	L397-Q399 PolarHBondContact O-N 3.12Å; Q399-H445 CarbonylContact O-C 3.6Å; Q399-H445 WeakPolarHBondContact O-CA 3.23Å; Q399-L446 PolarHBondContact O-N 3.05Å
400	Y	98.5	Very high	97.8	Very high	54 Å²	54	16.7 Å²	16.7	21%	0.212	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.4	-173.4	-60.7	-83.5	0	0	0	111.5	R396 L397 I443 F444 H445 L456 E462 V466	R396-Y400 CarbonylContact C-O 3.54Å; R396-Y400 VanDerWaalsContact CA-O 3.25Å; R396-Y400 WeakPolarHBondContact CA-O 3.3Å; R396-Y400 WeakPolarHBondContact CG-O 3.32Å; L397-Y400 PolarHBondContact N-O 2.98Å; L397-Y400 PolarHBondContact O-N 3.39Å; L397-Y400 VanDerWaalsContact O-N 3.07Å; Y400-I443 HydrophobicContact CD1-CG2 4.24Å; Y400-F444 VanDerWaalsContact CA-O 3.27Å; Y400-F444 WeakPolarHBondContact CA-O 3.33Å; Y400-H445 HydrophobicContact CD1-CB 4.08Å; Y400-H445 HydrophobicContact CE1-CB 3.92Å; Y400-H445 AromaticContact CE1-CD2 3.43Å; Y400-H445 VanDerWaalsContact CE1-CD2 3.43Å; Y400-H445 WeakPolarHBondContact CE1-CD2 3.46Å; Y400-H445 AromaticContact CZ-CD2 3.5Å; Y400-L456 HydrophobicContact CD1-CD1 4.14Å; Y400-L456 HydrophobicContact CE1-CD1 3.99Å; Y400-E462 HydrophobicContact CE1-CG 4.01Å; Y400-E462 WeakPolarHBondContact CE1-OE1 3.34Å; Y400-E462 VanDerWaalsContact CZ-OE1 3.32Å; Y400-E462 PolarHBondContact OH-OE1 3.21Å; Y400-V466 HydrophobicContact CD1-CB 4.39Å; Y400-V466 HydrophobicContact CD1-CG1 3.96Å; Y400-V466 HydrophobicContact CD1-CG2 3.6Å; Y400-V466 HydrophobicContact CD2-CG1 4.16Å; Y400-V466 HydrophobicContact CD2-CG2 3.66Å; Y400-V466 HydrophobicContact CE1-CG2 3.55Å; Y400-V466 HydrophobicContact CE2-CG2 3.64Å; Y400-V466 HydrophobicContact CG-CB 4.31Å; Y400-V466 HydrophobicContact CG-CG1 3.62Å; Y400-V466 HydrophobicContact CG-CG2 3.63Å
401	K	98.8	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.9	173.3	-172.8	-179.1	-179.8	-173.3	0	109.1	T313 E315 F386 A394 V395 R396 H403 I443 F444 L446 E452	T313-K401 PolarHBondContact O-NZ 3.3Å; E315-K401 IonicContact OE1-NZ 2.95Å; E315-K401 PolarHBondContact OE1-NZ 2.93Å; F386-K401 HydrophobicContact CZ-CD 4.47Å; A394-K401 HydrophobicContact CB-CG 4.41Å; V395-K401 CarbonylContact O-C 3.59Å; V395-K401 WeakPolarHBondContact O-CA 2.96Å; R396-K401 HydrophobicContact CB-CB 4.44Å; R396-K401 HydrophobicContact CB-CG 4.44Å; K401-H403 WeakPolarHBondContact CD-NE2 3.44Å; K401-H403 VanDerWaalsContact CE-NE2 3.3Å; K401-H403 WeakPolarHBondContact CE-NE2 3.21Å; K401-I443 CarbonylContact O-C 3.56Å; K401-I443 WeakPolarHBondContact O-CA 3.29Å; K401-F444 PolarHBondContact N-O 3.37Å; K401-F444 PolarHBondContact O-N 3.3Å; K401-L446 HydrophobicContact CB-CD1 4.04Å; K401-L446 HydrophobicContact CB-CD2 4.09Å; K401-L446 HydrophobicContact CB-CG 4.09Å; K401-L446 HydrophobicContact CD-CD1 4.49Å; K401-L446 HydrophobicContact CD-CD2 4.28Å; K401-E452 IonicContact NZ-OE1 2.81Å; K401-E452 IonicContact NZ-OE2 3.23Å; K401-E452 PolarHBondContact NZ-OE2 2.77Å
402	A	98.8	Very high	97.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.6	177.8	0	0	0	0	0	109.6	A394 V395 Y404 P441 L442 I443 V470	A394-A402 CarbonylContact C-O 3.58Å; A394-A402 WeakPolarHBondContact CA-O 3.37Å; A394-A402 WeakPolarHBondContact CB-O 3.22Å; V395-A402 PolarHBondContact N-O 2.88Å; V395-A402 PolarHBondContact O-N 2.98Å; A402-Y404 HydrophobicContact CB-CE2 4.11Å; A402-P441 HydrophobicContact CB-CB 4.13Å; A402-L442 CarbonylContact C-O 3.03Å; A402-L442 WeakPolarHBondContact CA-O 3.33Å; A402-I443 HydrophobicContact CB-CG1 3.97Å; A402-V470 HydrophobicContact CB-CG1 3.98Å
403	H	98.9	Very high	97.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.5	172.5	-67.1	-110.3	0	0	0	109.3	F314 M393 A394 K401 T406 P441 L442 F444 E452	F314-H403 AromaticContact CD1-CE1 3.74Å; F314-H403 AromaticContact CE1-CE1 3.95Å; M393-H403 CarbonylContact O-C 3.49Å; A394-H403 HydrophobicContact CB-CB 4.46Å; K401-H403 WeakPolarHBondContact CD-NE2 3.44Å; K401-H403 VanDerWaalsContact CE-NE2 3.3Å; K401-H403 WeakPolarHBondContact CE-NE2 3.21Å; H403-T406 HydrophobicContact CB-CG2 3.92Å; H403-P441 CarbonylContact O-C 3.59Å; H403-P441 VanDerWaalsContact O-CA 3.24Å; H403-P441 WeakPolarHBondContact O-CA 3.16Å; H403-P441 WeakPolarHBondContact O-CB 3.44Å; H403-L442 HydrophobicContact CB-CB 4.28Å; H403-L442 PolarHBondContact N-O 2.93Å; H403-L442 PolarHBondContact O-N 2.89Å; H403-F444 AromaticContact CD2-CD2 3.73Å; H403-F444 AromaticContact CD2-CE2 3.64Å; H403-E452 IonicContact CE1-OE2 3.08Å; H403-E452 PolarHBondContact CE1-OE2 3.35Å; H403-E452 VanDerWaalsContact CE1-OE2 3.28Å; H403-E452 IonicContact NE2-OE2 3.71Å; H403-E452 PolarHBondContact NE2-OE2 2.73Å
404	Y	98.6	Very high	97.1	Very high	17 Å²	17	25.9 Å²	25.9	7%	0.067	13%	0.13	C	C	.	.	S	Bend	trans	-88.2	-24	171.4	-67.4	-89.6	0	0	0	111.2	M392 M393 V395 A402 H437 T438 P441 V470 V474	M392-Y404 HydrophobicContact CE-CD2 3.94Å; M392-Y404 HydrophobicContact CE-CE2 4.21Å; M392-Y404 HydrophobicContact CE-CG 4.45Å; M393-Y404 PolarHBondContact O-N 3.06Å; V395-Y404 HydrophobicContact CG2-CE2 4.29Å; A402-Y404 HydrophobicContact CB-CE2 4.11Å; Y404-H437 CarbonylContact O-C 3.38Å; Y404-H437 WeakPolarHBondContact O-CA 3.45Å; Y404-H437 PolarHBondContact O-N 3.34Å; Y404-T438 PolarHBondContact O-N 2.94Å; Y404-P441 HydrophobicContact CD1-CB 4.34Å; Y404-P441 HydrophobicContact CD1-CG 3.64Å; Y404-P441 HydrophobicContact CE1-CB 4.26Å; Y404-P441 HydrophobicContact CE1-CG 3.35Å; Y404-P441 HydrophobicContact CG-CG 4.37Å; Y404-V470 HydrophobicContact CE2-CG1 4.42Å; Y404-V474 HydrophobicContact CE2-CG2 3.78Å
405	W	98.7	Very high	96.9	Very high	31 Å²	31	34 Å²	34	12%	0.117	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148	170.6	-63.8	85.5	0	0	0	110.1	H102 E391 M393 E435 E436	H102-W405 AromaticContact NE2-CE2 3.76Å; H102-W405 AromaticContact NE2-CH2 3.47Å; H102-W405 WeakPolarHBondContact NE2-CH2 3.31Å; H102-W405 AromaticContact NE2-CZ2 3.47Å; H102-W405 WeakPolarHBondContact NE2-CZ2 3.12Å; H102-W405 AromaticContact NE2-CZ3 3.76Å; E391-W405 HydrophobicContact CG-CD2 4.43Å; E391-W405 HydrophobicContact CG-CG 4.07Å; E391-W405 PolarHBondContact OE1-NE1 3.14Å; M393-W405 HydrophobicContact CE-CB 3.48Å; M393-W405 VanDerWaalsContact CE-CB 3.48Å; M393-W405 PolarHBondContact O-N 2.8Å; M393-W405 HydrophobicContact SD-CB 3.68Å; M393-W405 HydrophobicContact SD-CG 4.32Å; W405-E435 VanDerWaalsContact CA-O 3.26Å; W405-E435 WeakPolarHBondContact CA-O 3.49Å; W405-E436 HydrophobicContact CD2-CB 4.32Å; W405-E436 HydrophobicContact CD2-CG 4.24Å; W405-E436 HydrophobicContact CE3-CB 3.87Å; W405-E436 HydrophobicContact CE3-CG 4.27Å; W405-E436 HydrophobicContact CH2-CB 3.64Å; W405-E436 HydrophobicContact CH2-CG 3.61Å; W405-E436 HydrophobicContact CZ2-CB 4.1Å; W405-E436 HydrophobicContact CZ2-CG 3.57Å; W405-E436 HydrophobicContact CZ3-CB 3.53Å; W405-E436 HydrophobicContact CZ3-CG 3.98Å
406	T	98.6	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.9	170.7	53.9	0	0	0	0	110.8	F314 H403 V429 T431 E435 H437 L442	F314-T406 HydrophobicContact CE1-CG2 4.48Å; H403-T406 HydrophobicContact CB-CG2 3.92Å; T406-V429 WeakPolarHBondContact CB-O 3.36Å; T406-T431 PolarHBondContact O-OG1 3.43Å; T406-T431 PolarHBondContact OG1-OG1 3.07Å; T406-E435 PolarHBondContact N-O 3.37Å; T406-E435 PolarHBondContact O-N 3.19Å; T406-H437 PolarHBondContact OG1-NE2 3.23Å; T406-L442 HydrophobicContact CG2-CD1 4Å
407	W	98.3	Very high	96.4	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.023	23%	0.231	C	C	.	.			trans	-164.2	130.6	173.7	-173.7	34.4	0	0	0	110.2	A103 R388 M393 Q434 H524	A103-W407 VanDerWaalsContact O-CZ3 3.26Å; A103-W407 WeakPolarHBondContact O-CZ3 3.37Å; R388-W407 VanDerWaalsContact CZ-CZ3 3.47Å; R388-W407 PolarHBondContact NH1-O 3.23Å; R388-W407 VanDerWaalsContact NH2-CE3 3.32Å; R388-W407 VanDerWaalsContact NH2-CZ3 3.29Å; M393-W407 HydrophobicContact CE-CB 4.22Å; W407-Q434 HydrophobicContact CB-CG 4.18Å; W407-Q434 HydrophobicContact CD2-CG 3.53Å; W407-Q434 HydrophobicContact CE3-CG 3.7Å; W407-Q434 HydrophobicContact CG-CG 3.75Å; W407-Q434 HydrophobicContact CZ3-CG 4.31Å; W407-H524 HydrophobicContact CH2-CB 4.43Å; W407-H524 WeakPolarHBondContact CH2-OXT 3.42Å; W407-H524 WeakPolarHBondContact CZ3-OXT 3.22Å
408	S	96.3	Very high	96.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	24%	0.238	C	C	.	.			trans	-87.6	-87.8	164	56.4	0	0	0	0	109.1	R388 F420 T431 H432	R388-S408 PolarHBondContact NH1-O 3.39Å; R388-S408 PolarHBondContact NH2-O 3.46Å; S408-F420 VanDerWaalsContact O-CD2 3.31Å; S408-F420 WeakPolarHBondContact O-CD2 3.47Å; S408-F420 WeakPolarHBondContact O-CE2 3.36Å; S408-T431 PolarHBondContact N-O 2.9Å; S408-T431 PolarHBondContact OG-O 2.67Å; S408-H432 PolarHBondContact OG-CE1 3.05Å; S408-H432 PolarHBondContact OG-ND1 2.96Å
409	N	94.4	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.			trans	-146.1	163.2	178.4	67.1	-52.3	0	0	0	110.3	E413 L414 I418 F420 H432	N409-E413 HydrophobicContact CB-CB 4.34Å; N409-E413 WeakPolarHBondContact ND2-CB 3.06Å; N409-L414 PolarHBondContact ND2-N 3.28Å; N409-I418 PolarHBondContact ND2-O 3.3Å; N409-F420 HydrophobicContact CB-CD2 3.73Å; N409-F420 HydrophobicContact CB-CE2 3.46Å; N409-F420 VanDerWaalsContact CB-CE2 3.46Å; N409-F420 HydrophobicContact CB-CG 4.43Å; N409-F420 HydrophobicContact CB-CZ 3.93Å; N409-H432 WeakPolarHBondContact O-CA 3.49Å; N409-H432 WeakPolarHBondContact O-CB 3.37Å; N409-H432 PolarHBondContact O-ND1 3.09Å; N409-H432 PolarHBondContact OD1-CE1 2.94Å; N409-H432 PolarHBondContact OD1-ND1 3.12Å
410	S	95.6	Very high	96.5	Very high	27 Å²	27	43.7 Å²	43.7	19%	0.189	22%	0.224	C	C	.	.			trans	-64	154.8	-179.3	65.9	0	0	0	0	112.9	E412 E413 L414 H432	S410-E412 PolarHBondContact O-N 2.86Å; S410-E413 PolarHBondContact N-OE2 2.88Å; S410-E413 PolarHBondContact O-N 3.01Å; S410-E413 WeakPolarHBondContact OG-CB 3.49Å; S410-E413 VanDerWaalsContact OG-CG 3.26Å; S410-E413 WeakPolarHBondContact OG-CG 3.43Å; S410-E413 PolarHBondContact OG-N 3.31Å; S410-E413 VanDerWaalsContact OG-N 3.11Å; S410-E413 PolarHBondContact OG-OE2 2.94Å; S410-L414 PolarHBondContact O-N 3.28Å; S410-H432 WeakPolarHBondContact CA-O 3.41Å
411	L	94.1	Very high	96.4	Very high	81 Å²	81	41.3 Å²	41.3	42%	0.424	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-26.5	171	-77.6	176.2	0	0	0	112.6	L414 K415 H432	L411-L414 HydrophobicContact CD2-CD2 4.38Å; L411-K415 WeakPolarHBondContact O-CD 3.44Å; L411-K415 VanDerWaalsContact O-CG 3.22Å; L411-K415 WeakPolarHBondContact O-CG 3.45Å; L411-K415 PolarHBondContact O-N 3.01Å; L411-K415 VanDerWaalsContact O-N 3.16Å; L411-H432 HydrophobicContact CD2-CB 3.66Å; L411-H432 HydrophobicContact CG-CB 3.63Å
412	E	94.9	Very high	96.4	Very high	148 Å²	148	44.2 Å²	44.2	69%	0.692	23%	0.234	S	C	*	.	H	α-helix	trans	-67.9	-51.6	175.3	-66.2	178.4	175.6	0	0	110.4	S410 L414 K415 E416	S410-E412 PolarHBondContact O-N 2.86Å; E412-L414 VanDerWaalsContact C-N 3.3Å; E412-L414 PolarHBondContact O-N 3.33Å; E412-K415 WeakPolarHBondContact O-CB 3.26Å; E412-K415 PolarHBondContact O-N 2.85Å; E412-K415 VanDerWaalsContact O-N 3.13Å; E412-E416 PolarHBondContact O-N 2.8Å; E412-E416 VanDerWaalsContact O-N 3.14Å
413	E	95	Very high	96.2	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-40.9	174.9	-74.5	173	117	0	0	111.9	N409 S410 K415 E416 G417 I418 H524	N409-E413 HydrophobicContact CB-CB 4.34Å; N409-E413 WeakPolarHBondContact ND2-CB 3.06Å; S410-E413 PolarHBondContact N-OE2 2.88Å; S410-E413 PolarHBondContact O-N 3.01Å; S410-E413 WeakPolarHBondContact OG-CB 3.49Å; S410-E413 VanDerWaalsContact OG-CG 3.26Å; S410-E413 WeakPolarHBondContact OG-CG 3.43Å; S410-E413 PolarHBondContact OG-N 3.31Å; S410-E413 VanDerWaalsContact OG-N 3.11Å; S410-E413 PolarHBondContact OG-OE2 2.94Å; E413-K415 VanDerWaalsContact C-N 3.31Å; E413-K415 PolarHBondContact O-N 2.93Å; E413-E416 CarbonylContact O-C 3.56Å; E413-E416 PolarHBondContact O-N 3.03Å; E413-E416 VanDerWaalsContact O-N 3.09Å; E413-G417 PolarHBondContact O-N 2.72Å; E413-I418 HydrophobicContact CB-CB 4.06Å; E413-I418 HydrophobicContact CB-CD1 4.09Å; E413-I418 HydrophobicContact CB-CG2 4.41Å; E413-I418 HydrophobicContact CG-CD1 4.09Å; E413-I418 WeakPolarHBondContact O-CB 3.48Å; E413-I418 PolarHBondContact O-N 3.14Å; E413-H524 IonicContact OE1-CG 2.77Å; E413-H524 IonicContact OE1-ND1 3.71Å; E413-H524 PolarHBondContact OE1-ND1 3.39Å
414	L	94.4	Very high	96.1	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.288	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-41.4	176.9	-172.9	70.9	0	0	0	112.2	N409 S410 L411 E412 E416 G417 I418 N419 H432	N409-L414 PolarHBondContact ND2-N 3.28Å; S410-L414 PolarHBondContact O-N 3.28Å; L411-L414 HydrophobicContact CD2-CD2 4.38Å; E412-L414 VanDerWaalsContact C-N 3.3Å; E412-L414 PolarHBondContact O-N 3.33Å; L414-E416 PolarHBondContact O-N 2.81Å; L414-G417 PolarHBondContact O-N 2.98Å; L414-I418 WeakPolarHBondContact CA-O 3.2Å; L414-N419 HydrophobicContact CD1-CB 4.04Å; L414-H432 WeakPolarHBondContact CD2-NE2 3.25Å
415	K	95.3	Very high	95.9	Very high	169 Å²	169	59 Å²	59	74%	0.735	33%	0.327	S	S	*	.	H	α-helix	trans	-67.1	-26.8	176.6	-73.1	166.9	-173.8	171.2	0	112.5	L411 E412 E413 G417	L411-K415 WeakPolarHBondContact O-CD 3.44Å; L411-K415 VanDerWaalsContact O-CG 3.22Å; L411-K415 WeakPolarHBondContact O-CG 3.45Å; L411-K415 PolarHBondContact O-N 3.01Å; L411-K415 VanDerWaalsContact O-N 3.16Å; E412-K415 WeakPolarHBondContact O-CB 3.26Å; E412-K415 PolarHBondContact O-N 2.85Å; E412-K415 VanDerWaalsContact O-N 3.13Å; E413-K415 VanDerWaalsContact C-N 3.31Å; E413-K415 PolarHBondContact O-N 2.93Å; K415-G417 PolarHBondContact O-N 3.12Å
416	E	94.8	Very high	95.9	Very high	158 Å²	158	58.1 Å²	58.1	74%	0.738	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.7	172.8	-65.8	-176.7	172.4	0	0	113.1	E412 E413 L414	E412-E416 PolarHBondContact O-N 2.8Å; E412-E416 VanDerWaalsContact O-N 3.14Å; E413-E416 CarbonylContact O-C 3.56Å; E413-E416 PolarHBondContact O-N 3.03Å; E413-E416 VanDerWaalsContact O-N 3.09Å; L414-E416 PolarHBondContact O-N 2.81Å
417	G	92.7	Very high	95.8	Very high	63 Å²	63	63.6 Å²	63.6	65%	0.649	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	5.7	176.9	0	0	0	0	0	114.2	E413 L414 K415 N419	E413-G417 PolarHBondContact O-N 2.72Å; L414-G417 PolarHBondContact O-N 2.98Å; K415-G417 PolarHBondContact O-N 3.12Å; G417-N419 PolarHBondContact O-N 2.75Å
418	I	95.4	Very high	95.6	Very high	45 Å²	45	65.8 Å²	65.8	23%	0.231	39%	0.385	C	S	.	.			trans	-79.9	118.7	175	-59.5	170.6	0	0	0	108.1	M294 N409 E413 L414 F420	M294-I418 HydrophobicContact CE-CG2 4.2Å; N409-I418 PolarHBondContact ND2-O 3.3Å; E413-I418 HydrophobicContact CB-CB 4.06Å; E413-I418 HydrophobicContact CB-CD1 4.09Å; E413-I418 HydrophobicContact CB-CG2 4.41Å; E413-I418 HydrophobicContact CG-CD1 4.09Å; E413-I418 WeakPolarHBondContact O-CB 3.48Å; E413-I418 PolarHBondContact O-N 3.14Å; L414-I418 WeakPolarHBondContact CA-O 3.2Å; I418-F420 HydrophobicContact CG2-CD1 4.01Å; I418-F420 HydrophobicContact CG2-CE1 3.29Å; I418-F420 HydrophobicContact CG2-CZ 3.88Å
419	N	96.4	Very high	95.7	Very high	50 Å²	50	65.7 Å²	65.7	27%	0.267	39%	0.385	S	S	.	.			trans	-138.8	116	178.1	-172.4	-12.6	0	0	0	110.4	L414 G417 C421	L414-N419 HydrophobicContact CD1-CB 4.04Å; G417-N419 PolarHBondContact O-N 2.75Å; N419-C421 VanDerWaalsContact C-N 3.32Å; N419-C421 VanDerWaalsContact OD1-C 3.23Å; N419-C421 WeakPolarHBondContact OD1-CA 3.27Å; N419-C421 PolarHBondContact OD1-N 3.07Å
420	F	97.8	Very high	95.8	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.009	39%	0.389	C	S	.	.	S	Bend	trans	-84.9	-6.6	180	-54.5	-24.3	0	0	0	113.5	M294 C308 G309 E311 T312 S408 N409 I418 H524	M294-F420 HydrophobicContact CE-CD1 4.11Å; M294-F420 HydrophobicContact CE-CE1 3.45Å; M294-F420 VanDerWaalsContact CE-CE1 3.45Å; M294-F420 HydrophobicContact CE-CZ 4.41Å; M294-F420 HydrophobicContact SD-CD1 3.91Å; M294-F420 HydrophobicContact SD-CE1 3.84Å; C308-F420 WeakPolarHBondContact CA-O 3.41Å; C308-F420 WeakPolarHBondContact CB-O 3.49Å; G309-F420 PolarHBondContact N-O 2.79Å; E311-F420 HydrophobicContact CB-CD1 4.29Å; E311-F420 HydrophobicContact CB-CD2 3.62Å; E311-F420 HydrophobicContact CB-CE1 4.13Å; E311-F420 HydrophobicContact CB-CE2 3.39Å; E311-F420 HydrophobicContact CB-CG 4.08Å; E311-F420 HydrophobicContact CB-CZ 3.69Å; E311-F420 HydrophobicContact CG-CD1 4.3Å; E311-F420 HydrophobicContact CG-CD2 4.42Å; E311-F420 HydrophobicContact CG-CE1 3.88Å; E311-F420 HydrophobicContact CG-CE2 3.97Å; E311-F420 HydrophobicContact CG-CZ 3.7Å; T312-F420 HydrophobicContact CG2-CB 3.7Å; T312-F420 HydrophobicContact CG2-CD2 3.89Å; T312-F420 HydrophobicContact CG2-CG 4.24Å; S408-F420 VanDerWaalsContact O-CD2 3.31Å; S408-F420 WeakPolarHBondContact O-CD2 3.47Å; S408-F420 WeakPolarHBondContact O-CE2 3.36Å; N409-F420 HydrophobicContact CB-CD2 3.73Å; N409-F420 HydrophobicContact CB-CE2 3.46Å; N409-F420 VanDerWaalsContact CB-CE2 3.46Å; N409-F420 HydrophobicContact CB-CG 4.43Å; N409-F420 HydrophobicContact CB-CZ 3.93Å; I418-F420 HydrophobicContact CG2-CD1 4.01Å; I418-F420 HydrophobicContact CG2-CE1 3.29Å; I418-F420 HydrophobicContact CG2-CZ 3.88Å; F420-H524 HydrophobicContact CE2-CB 3.9Å; F420-H524 HydrophobicContact CZ-CB 3.93Å; F420-H524 AromaticContact CZ-CG 3.72Å; F420-H524 AromaticContact CZ-ND1 3.87Å
421	C	97.8	Very high	95.9	Very high	4 Å²	4	66.1 Å²	66.1	3%	0.027	39%	0.386	C	S	.	.	S	Bend	trans	-136.9	51.7	-176.5	-42.9	0	0	0	0	111.3	C308 N419 G423 Q424	C308-C421 HydrophobicContact CB-CB 3.99Å; C308-C421 WeakPolarHBondContact CB-SG 3.36Å; C308-C421 WeakPolarHBondContact SG-CB 3.31Å; C308-C421 CovalentContact SG-SG 2.03Å; C308-C421 PolarHBondContact SG-SG 3.02Å; N419-C421 VanDerWaalsContact C-N 3.32Å; N419-C421 VanDerWaalsContact OD1-C 3.23Å; N419-C421 WeakPolarHBondContact OD1-CA 3.27Å; N419-C421 PolarHBondContact OD1-N 3.07Å; C421-G423 PolarHBondContact O-N 3.4Å; C421-Q424 HydrophobicContact CB-CB 4.18Å; C421-Q424 PolarHBondContact O-N 3.19Å; C421-Q424 VanDerWaalsContact O-O 3.13Å
422	P	96.8	Very high	96	Very high	61 Å²	61	64.7 Å²	64.7	40%	0.396	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	126.3	-173.9	25.8	-35	0	0	0	111.9	L293 Q424	L293-P422 HydrophobicContact CB-CG 3.77Å; L293-P422 HydrophobicContact CD1-CG 4.31Å; P422-Q424 PolarHBondContact O-N 2.77Å
423	G	95.4	Very high	96	Very high	89 Å²	89	62.3 Å²	62.3	92%	0.918	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	9.5	-178.1	0	0	0	0	0	114.8	C421	C421-G423 PolarHBondContact O-N 3.4Å
424	Q	96.8	Very high	96.1	Very high	70 Å²	70	64.6 Å²	64.6	33%	0.327	38%	0.38	S	S	.	.			trans	-123.6	119.8	179.7	-61.1	176.6	-40.1	0	0	109.9	F306 L307 C421 P422	F306-Q424 PolarHBondContact O-NE2 3.02Å; L307-Q424 HydrophobicContact CD1-CB 3.99Å; C421-Q424 HydrophobicContact CB-CB 4.18Å; C421-Q424 PolarHBondContact O-N 3.19Å; C421-Q424 VanDerWaalsContact O-O 3.13Å; P422-Q424 PolarHBondContact O-N 2.77Å
425	E	95.4	Very high	96.2	Very high	169 Å²	169	65.9 Å²	65.9	79%	0.79	38%	0.384	S	S	*	.			trans	-136.1	117.9	173	-171	-179.2	165.6	0	0	108.2
426	V	97.6	Very high	96.4	Very high	13 Å²	13	63.1 Å²	63.1	8%	0.079	37%	0.374	C	S	.	.			trans	-115.4	107.5	176.4	-176.4	0	0	0	0	107.3	L307 G428 V429 T430 K453	L307-V426 HydrophobicContact CD1-CG2 4.01Å; L307-V426 HydrophobicContact CD2-CG2 4.16Å; V426-G428 PolarHBondContact O-N 3.46Å; V426-V429 HydrophobicContact CB-CB 3.9Å; V426-V429 HydrophobicContact CB-CG1 4.47Å; V426-V429 HydrophobicContact CB-CG2 4.38Å; V426-V429 HydrophobicContact CG1-CB 3.66Å; V426-V429 HydrophobicContact CG1-CG1 4.33Å; V426-V429 HydrophobicContact CG1-CG2 3.58Å; V426-V429 PolarHBondContact O-N 2.99Å; V426-T430 HydrophobicContact CB-CG2 4.24Å; V426-T430 HydrophobicContact CG2-CG2 4.44Å; V426-T430 PolarHBondContact N-OG1 3.42Å; V426-T430 PolarHBondContact O-N 2.73Å; V426-T430 PolarHBondContact O-OG1 3.28Å; V426-K453 HydrophobicContact CG2-CG 4.38Å
427	P	95.8	Very high	96.5	Very high	115 Å²	115	57.2 Å²	57.2	75%	0.747	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	128.3	-174.2	-28.6	35.5	0	0	0	112.8	V429	P427-V429 PolarHBondContact O-N 3.28Å
428	G	94.9	Very high	96.6	Very high	51 Å²	51	56.9 Å²	56.9	53%	0.526	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	5.5	-178.9	0	0	0	0	0	115.1	V426 L442	V426-G428 PolarHBondContact O-N 3.46Å; G428-L442 WeakPolarHBondContact O-CD1 3.44Å
429	V	97.8	Very high	96.6	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-56.3	179	-179	0	0	0	0	110.3	L307 F314 T406 V426 P427 T431 L442 F444	L307-V429 HydrophobicContact CD2-CG1 4.26Å; F314-V429 HydrophobicContact CE1-CG1 3.62Å; F314-V429 HydrophobicContact CZ-CG1 4.15Å; F314-V429 WeakPolarHBondContact CZ-O 3.33Å; T406-V429 WeakPolarHBondContact CB-O 3.36Å; V426-V429 HydrophobicContact CB-CB 3.9Å; V426-V429 HydrophobicContact CB-CG1 4.47Å; V426-V429 HydrophobicContact CB-CG2 4.38Å; V426-V429 HydrophobicContact CG1-CB 3.66Å; V426-V429 HydrophobicContact CG1-CG1 4.33Å; V426-V429 HydrophobicContact CG1-CG2 3.58Å; V426-V429 PolarHBondContact O-N 2.99Å; P427-V429 PolarHBondContact O-N 3.28Å; V429-T431 PolarHBondContact O-N 3.34Å; V429-T431 VanDerWaalsContact O-N 3.12Å; V429-L442 HydrophobicContact CG2-CD1 4.2Å; V429-F444 HydrophobicContact CG1-CZ 3.92Å; V429-F444 HydrophobicContact CG2-CE1 4.39Å; V429-F444 HydrophobicContact CG2-CZ 3.82Å
430	T	97.4	Very high	96.6	Very high	16 Å²	16	65.8 Å²	65.8	10%	0.098	38%	0.376	C	S	.	.	S	Bend	trans	-85.9	80.4	176.8	54.6	0	0	0	0	110.3	L307 F314 V426	L307-T430 HydrophobicContact CD1-CG2 3.96Å; L307-T430 HydrophobicContact CD2-CG2 3.9Å; L307-T430 HydrophobicContact CG-CG2 4.21Å; F314-T430 HydrophobicContact CE2-CG2 4.35Å; F314-T430 HydrophobicContact CZ-CG2 4.37Å; V426-T430 HydrophobicContact CB-CG2 4.24Å; V426-T430 HydrophobicContact CG2-CG2 4.44Å; V426-T430 PolarHBondContact N-OG1 3.42Å; V426-T430 PolarHBondContact O-N 2.73Å; V426-T430 PolarHBondContact O-OG1 3.28Å
431	T	96.5	Very high	96.6	Very high	20 Å²	20	65.8 Å²	65.8	12%	0.123	38%	0.376	C	S	.	.			trans	-100.3	145.7	-172.4	63.6	0	0	0	0	112.6	T406 S408 V429 D433 E435	T406-T431 PolarHBondContact O-OG1 3.43Å; T406-T431 PolarHBondContact OG1-OG1 3.07Å; S408-T431 PolarHBondContact N-O 2.9Å; S408-T431 PolarHBondContact OG-O 2.67Å; V429-T431 PolarHBondContact O-N 3.34Å; V429-T431 VanDerWaalsContact O-N 3.12Å; T431-D433 PolarHBondContact OG1-O 3.25Å; T431-E435 HydrophobicContact CG2-CG 3.83Å; T431-E435 WeakPolarHBondContact OG1-CG 3.38Å
432	H	96.9	Very high	96.7	Very high	51 Å²	51	67.1 Å²	67.1	24%	0.236	38%	0.383	C	S	.	.	S	Bend	trans	-92.3	-4.8	177.6	-67.9	-65.4	0	0	0	114.1	S408 N409 S410 L411 L414	S408-H432 PolarHBondContact OG-CE1 3.05Å; S408-H432 PolarHBondContact OG-ND1 2.96Å; N409-H432 WeakPolarHBondContact O-CA 3.49Å; N409-H432 WeakPolarHBondContact O-CB 3.37Å; N409-H432 PolarHBondContact O-ND1 3.09Å; N409-H432 PolarHBondContact OD1-CE1 2.94Å; N409-H432 PolarHBondContact OD1-ND1 3.12Å; S410-H432 WeakPolarHBondContact CA-O 3.41Å; L411-H432 HydrophobicContact CD2-CB 3.66Å; L411-H432 HydrophobicContact CG-CB 3.63Å; L414-H432 WeakPolarHBondContact CD2-NE2 3.25Å
433	D	95.8	Very high	96.8	Very high	98 Å²	98	64.2 Å²	64.2	52%	0.524	36%	0.364	S	S	.	.	S	Bend	trans	-104.4	154.5	164.3	-63.7	-56.6	0	0	0	109.1	T431 E435	T431-D433 PolarHBondContact OG1-O 3.25Å; D433-E435 PolarHBondContact O-N 2.79Å; D433-E435 VanDerWaalsContact O-N 3.17Å
434	Q	95.6	Very high	96.9	Very high	56 Å²	56	60 Å²	60	26%	0.262	32%	0.32	S	S	.	.			trans	-73	103.3	169.6	-68.4	-176.5	9.8	0	0	108	H102 W407	H102-Q434 PolarHBondContact CD2-OE1 2.9Å; H102-Q434 PolarHBondContact O-NE2 2.88Å; W407-Q434 HydrophobicContact CB-CG 4.18Å; W407-Q434 HydrophobicContact CD2-CG 3.53Å; W407-Q434 HydrophobicContact CE3-CG 3.7Å; W407-Q434 HydrophobicContact CG-CG 3.75Å; W407-Q434 HydrophobicContact CZ3-CG 4.31Å
435	E	97.9	Very high	97	Very high	82 Å²	82	58 Å²	58	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.7	-177.8	-67.7	-66.6	165.3	0	0	110.8	W405 T406 T431 D433	W405-E435 VanDerWaalsContact CA-O 3.26Å; W405-E435 WeakPolarHBondContact CA-O 3.49Å; T406-E435 PolarHBondContact N-O 3.37Å; T406-E435 PolarHBondContact O-N 3.19Å; T431-E435 HydrophobicContact CG2-CG 3.83Å; T431-E435 WeakPolarHBondContact OG1-CG 3.38Å; D433-E435 PolarHBondContact O-N 2.79Å; D433-E435 VanDerWaalsContact O-N 3.17Å
436	E	97.9	Very high	97.2	Very high	111 Å²	111	50.2 Å²	50.2	52%	0.519	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.2	179.1	-169.8	178.8	176.5	0	0	110.9	W405 T438	W405-E436 HydrophobicContact CD2-CB 4.32Å; W405-E436 HydrophobicContact CD2-CG 4.24Å; W405-E436 HydrophobicContact CE3-CB 3.87Å; W405-E436 HydrophobicContact CE3-CG 4.27Å; W405-E436 HydrophobicContact CH2-CB 3.64Å; W405-E436 HydrophobicContact CH2-CG 3.61Å; W405-E436 HydrophobicContact CZ2-CB 4.1Å; W405-E436 HydrophobicContact CZ2-CG 3.57Å; W405-E436 HydrophobicContact CZ3-CB 3.53Å; W405-E436 HydrophobicContact CZ3-CG 3.98Å; E436-T438 HydrophobicContact CG-CG2 3.68Å; E436-T438 WeakPolarHBondContact OE1-CB 3.32Å; E436-T438 VanDerWaalsContact OE1-CG2 3.25Å; E436-T438 WeakPolarHBondContact OE1-CG2 3.27Å; E436-T438 PolarHBondContact OE1-OG1 3.36Å
437	H	97.8	Very high	97.1	Very high	34 Å²	34	52 Å²	52	16%	0.157	30%	0.296	C	S	.	.			trans	-121.3	21.9	178.1	-54.9	-76.8	0	0	0	111.8	Y404 T406 L439 Q440 P441	Y404-H437 CarbonylContact O-C 3.38Å; Y404-H437 WeakPolarHBondContact O-CA 3.45Å; Y404-H437 PolarHBondContact O-N 3.34Å; T406-H437 PolarHBondContact OG1-NE2 3.23Å; H437-L439 VanDerWaalsContact C-N 3.3Å; H437-L439 PolarHBondContact O-N 2.93Å; H437-Q440 CarbonylContact O-C 3.53Å; H437-Q440 PolarHBondContact O-N 3.12Å; H437-P441 WeakPolarHBondContact O-CA 3.37Å; H437-P441 WeakPolarHBondContact O-CD 3.37Å
438	T	94.9	Very high	97.3	Very high	56 Å²	56	53.4 Å²	53.4	34%	0.344	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.1	-170.4	54.7	0	0	0	0	113.9	Y404 E436	Y404-T438 PolarHBondContact O-N 2.94Å; E436-T438 HydrophobicContact CG-CG2 3.68Å; E436-T438 WeakPolarHBondContact OE1-CB 3.32Å; E436-T438 VanDerWaalsContact OE1-CG2 3.25Å; E436-T438 WeakPolarHBondContact OE1-CG2 3.27Å; E436-T438 PolarHBondContact OE1-OG1 3.36Å
439	L	94.7	Very high	97.4	Very high	171 Å²	171	51.7 Å²	51.7	90%	0.895	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-27.4	177.7	-64.2	179	0	0	0	113.4	H437	H437-L439 VanDerWaalsContact C-N 3.3Å; H437-L439 PolarHBondContact O-N 2.93Å
440	Q	97.1	Very high	97.4	Very high	112 Å²	112	53.7 Å²	53.7	52%	0.523	28%	0.278	S	S	.	.	S	Bend	trans	-147	77	-177.8	-173.3	172.1	75.6	0	0	109.8	H437 V458 Y463	H437-Q440 CarbonylContact O-C 3.53Å; H437-Q440 PolarHBondContact O-N 3.12Å; Q440-V458 VanDerWaalsContact CD-CG1 3.47Å; Q440-V458 HydrophobicContact CG-CB 4.44Å; Q440-V458 HydrophobicContact CG-CG1 3.66Å; Q440-Y463 WeakPolarHBondContact CG-OH 3.43Å
441	P	98.4	Very high	97.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.013	28%	0.276	C	S	.	.			trans	-58.7	146.1	-175.1	-27.3	36.3	0	0	0	112.3	A402 H403 Y404 H437 I443 Y463 L467	A402-P441 HydrophobicContact CB-CB 4.13Å; H403-P441 CarbonylContact O-C 3.59Å; H403-P441 VanDerWaalsContact O-CA 3.24Å; H403-P441 WeakPolarHBondContact O-CA 3.16Å; H403-P441 WeakPolarHBondContact O-CB 3.44Å; Y404-P441 HydrophobicContact CD1-CB 4.34Å; Y404-P441 HydrophobicContact CD1-CG 3.64Å; Y404-P441 HydrophobicContact CE1-CB 4.26Å; Y404-P441 HydrophobicContact CE1-CG 3.35Å; Y404-P441 HydrophobicContact CG-CG 4.37Å; H437-P441 WeakPolarHBondContact O-CA 3.37Å; H437-P441 WeakPolarHBondContact O-CD 3.37Å; P441-I443 HydrophobicContact CB-CG1 4.49Å; P441-I443 PolarHBondContact O-N 2.73Å; P441-Y463 VanDerWaalsContact O-CE2 3.29Å; P441-Y463 WeakPolarHBondContact O-CE2 3.46Å; P441-Y463 PolarHBondContact O-OH 2.87Å; P441-L467 HydrophobicContact CG-CD1 3.96Å
442	L	98.8	Very high	97.6	Very high	32 Å²	32	52.2 Å²	52.2	17%	0.168	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.5	170	-55	177.9	0	0	0	108.5	A402 H403 T406 G428 V429 F444	A402-L442 CarbonylContact C-O 3.03Å; A402-L442 WeakPolarHBondContact CA-O 3.33Å; H403-L442 HydrophobicContact CB-CB 4.28Å; H403-L442 PolarHBondContact N-O 2.93Å; H403-L442 PolarHBondContact O-N 2.89Å; T406-L442 HydrophobicContact CG2-CD1 4Å; G428-L442 WeakPolarHBondContact O-CD1 3.44Å; V429-L442 HydrophobicContact CG2-CD1 4.2Å; L442-F444 HydrophobicContact CB-CE2 3.87Å; L442-F444 HydrophobicContact CB-CZ 4.25Å
443	I	98.8	Very high	97.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.2	-176.5	-58.3	-178.3	0	0	0	110	Y400 K401 A402 P441 P455 L456 Y463 V466 L467	Y400-I443 HydrophobicContact CD1-CG2 4.24Å; K401-I443 CarbonylContact O-C 3.56Å; K401-I443 WeakPolarHBondContact O-CA 3.29Å; A402-I443 HydrophobicContact CB-CG1 3.97Å; P441-I443 HydrophobicContact CB-CG1 4.49Å; P441-I443 PolarHBondContact O-N 2.73Å; I443-P455 CarbonylContact O-C 3.53Å; I443-P455 WeakPolarHBondContact O-CA 3.49Å; I443-L456 HydrophobicContact CB-CD1 4.36Å; I443-L456 HydrophobicContact CG2-CD1 3.76Å; I443-L456 HydrophobicContact CG2-CG 4.41Å; I443-L456 WeakPolarHBondContact O-CG 3.41Å; I443-L456 PolarHBondContact O-N 2.97Å; I443-Y463 HydrophobicContact CB-CD2 4.03Å; I443-Y463 HydrophobicContact CB-CE2 3.98Å; I443-Y463 HydrophobicContact CD1-CD2 3.74Å; I443-Y463 HydrophobicContact CD1-CE1 4.5Å; I443-Y463 HydrophobicContact CD1-CE2 3.53Å; I443-Y463 HydrophobicContact CD1-CG 4.29Å; I443-Y463 HydrophobicContact CG1-CD2 4.03Å; I443-Y463 HydrophobicContact CG1-CE2 3.61Å; I443-V466 HydrophobicContact CD1-CB 4.49Å; I443-V466 HydrophobicContact CD1-CG1 4.15Å; I443-V466 HydrophobicContact CG2-CB 4.49Å; I443-V466 HydrophobicContact CG2-CG1 3.77Å; I443-L467 HydrophobicContact CD1-CB 4Å; I443-L467 HydrophobicContact CD1-CD1 4.4Å
444	F	98.8	Very high	97.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.6	176.4	-57.1	-89.4	0	0	0	110.6	Y400 K401 H403 V429 L442 E452 P455	Y400-F444 VanDerWaalsContact CA-O 3.27Å; Y400-F444 WeakPolarHBondContact CA-O 3.33Å; K401-F444 PolarHBondContact N-O 3.37Å; K401-F444 PolarHBondContact O-N 3.3Å; H403-F444 AromaticContact CD2-CD2 3.73Å; H403-F444 AromaticContact CD2-CE2 3.64Å; V429-F444 HydrophobicContact CG1-CZ 3.92Å; V429-F444 HydrophobicContact CG2-CE1 4.39Å; V429-F444 HydrophobicContact CG2-CZ 3.82Å; L442-F444 HydrophobicContact CB-CE2 3.87Å; L442-F444 HydrophobicContact CB-CZ 4.25Å; F444-E452 HydrophobicContact CD1-CB 4.09Å; F444-E452 HydrophobicContact CD2-CB 4.43Å; F444-E452 HydrophobicContact CD2-CG 4.38Å; F444-E452 VanDerWaalsContact CE1-C 3.41Å; F444-E452 HydrophobicContact CE1-CB 4.15Å; F444-E452 WeakPolarHBondContact CE1-O 3.48Å; F444-E452 HydrophobicContact CG-CB 4.22Å; F444-E452 HydrophobicContact CG-CG 4.25Å; F444-E452 HydrophobicContact CZ-CB 4.36Å; F444-P455 HydrophobicContact CD1-CB 4.47Å; F444-P455 HydrophobicContact CE1-CB 3.9Å; F444-P455 HydrophobicContact CE1-CG 4.37Å; F444-P455 HydrophobicContact CZ-CB 4.09Å
445	H	98.6	Very high	97.9	Very high	27 Å²	27	59.2 Å²	59.2	13%	0.125	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	99.6	169.1	-177.6	-59.6	0	0	0	109.8	Q399 Y400 G447 R448 D449 E462	Q399-H445 CarbonylContact O-C 3.6Å; Q399-H445 WeakPolarHBondContact O-CA 3.23Å; Y400-H445 HydrophobicContact CD1-CB 4.08Å; Y400-H445 HydrophobicContact CE1-CB 3.92Å; Y400-H445 AromaticContact CE1-CD2 3.43Å; Y400-H445 VanDerWaalsContact CE1-CD2 3.43Å; Y400-H445 WeakPolarHBondContact CE1-CD2 3.46Å; Y400-H445 AromaticContact CZ-CD2 3.5Å; H445-G447 VanDerWaalsContact C-N 3.25Å; H445-G447 PolarHBondContact ND1-N 3.18Å; H445-G447 PolarHBondContact O-N 2.69Å; H445-G447 VanDerWaalsContact O-N 3.11Å; H445-R448 PolarHBondContact CD2-NH1 3.17Å; H445-R448 VanDerWaalsContact CG-CZ 3.42Å; H445-R448 PolarHBondContact ND1-N 3.2Å; H445-R448 PolarHBondContact NE2-NH1 2.89Å; H445-R448 PolarHBondContact O-N 3.04Å; H445-D449 PolarHBondContact O-N 2.86Å; H445-E462 IonicContact CD2-OE1 3.49Å
446	L	98.3	Very high	98	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.4	-170.8	-60.8	-180	0	0	0	114.6	E315 R396 Q399 K401 P450 E452	E315-L446 HydrophobicContact CG-CD2 3.83Å; R396-L446 HydrophobicContact CG-CD1 4.01Å; Q399-L446 PolarHBondContact O-N 3.05Å; K401-L446 HydrophobicContact CB-CD1 4.04Å; K401-L446 HydrophobicContact CB-CD2 4.09Å; K401-L446 HydrophobicContact CB-CG 4.09Å; K401-L446 HydrophobicContact CD-CD1 4.49Å; K401-L446 HydrophobicContact CD-CD2 4.28Å; L446-P450 VanDerWaalsContact O-CA 3.32Å; L446-P450 WeakPolarHBondContact O-CA 3.28Å; L446-E452 HydrophobicContact CD2-CG 4.21Å
447	G	97.1	Very high	98	Very high	52 Å²	52	54.6 Å²	54.6	54%	0.536	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-25.2	174.8	0	0	0	0	0	114.6	H445	H445-G447 VanDerWaalsContact C-N 3.25Å; H445-G447 PolarHBondContact ND1-N 3.18Å; H445-G447 PolarHBondContact O-N 2.69Å; H445-G447 VanDerWaalsContact O-N 3.11Å
448	R	98.3	Very high	98	Very high	144 Å²	144	55.5 Å²	55.5	54%	0.543	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-30.2	179.9	-65.5	-171.9	-56.2	-107.8	9.6	111.2	H445 E462	H445-R448 PolarHBondContact CD2-NH1 3.17Å; H445-R448 VanDerWaalsContact CG-CZ 3.42Å; H445-R448 PolarHBondContact ND1-N 3.2Å; H445-R448 PolarHBondContact NE2-NH1 2.89Å; H445-R448 PolarHBondContact O-N 3.04Å; R448-E462 IonicContact CZ-OE1 3.66Å; R448-E462 IonicContact CZ-OE2 3.44Å; R448-E462 IonicContact NH1-OE1 3.05Å; R448-E462 PolarHBondContact NH1-OE1 2.93Å; R448-E462 VanDerWaalsContact NH1-OE1 3.15Å; R448-E462 IonicContact NH2-OE1 3.99Å; R448-E462 PolarHBondContact NH2-OE1 3.42Å; R448-E462 IonicContact NH2-OE2 2.66Å; R448-E462 PolarHBondContact NH2-OE2 2.87Å
449	D	98.6	Very high	98.1	Very high	14 Å²	14	60.2 Å²	60.2	8%	0.075	31%	0.314	C	S	.	.			trans	-136.1	72.3	-176.8	-179.2	31.3	0	0	0	109.8	H445 G451 E452 K453 Y454	H445-D449 PolarHBondContact O-N 2.86Å; D449-G451 PolarHBondContact O-N 3.42Å; D449-E452 PolarHBondContact O-N 2.86Å; D449-E452 PolarHBondContact OD1-N 2.7Å; D449-K453 VanDerWaalsContact CG-N 3.31Å; D449-K453 PolarHBondContact OD1-N 3.41Å; D449-K453 VanDerWaalsContact OD1-N 3.09Å; D449-K453 PolarHBondContact OD2-N 2.79Å; D449-Y454 PolarHBondContact OD2-N 2.85Å
450	P	98.2	Very high	98.3	Very high	44 Å²	44	53.7 Å²	53.7	29%	0.286	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.7	177.8	25.2	-34.1	0	0	0	112.4	F306 L446 E452	F306-P450 HydrophobicContact CD1-CB 4.14Å; F306-P450 VanDerWaalsContact CD1-O 3.31Å; F306-P450 WeakPolarHBondContact CD1-O 3.24Å; F306-P450 HydrophobicContact CE1-CB 3.72Å; L446-P450 VanDerWaalsContact O-CA 3.32Å; L446-P450 WeakPolarHBondContact O-CA 3.28Å; P450-E452 VanDerWaalsContact C-N 3.31Å; P450-E452 PolarHBondContact O-N 2.77Å
451	G	98.4	Very high	98.3	Very high	5 Å²	5	55.4 Å²	55.4	5%	0.052	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	10.2	-178.9	0	0	0	0	0	114.7	L307 D449 K453	L307-G451 WeakPolarHBondContact CB-O 3.41Å; D449-G451 PolarHBondContact O-N 3.42Å; G451-K453 WeakPolarHBondContact O-CG 3.4Å; G451-K453 PolarHBondContact O-N 2.9Å; G451-K453 VanDerWaalsContact O-N 3.17Å
452	E	98.8	Very high	98.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.			trans	50.2	42.5	177.8	-64.7	158.5	-81	0	0	113	L307 E315 K401 H403 F444 L446 D449 P450	L307-E452 HydrophobicContact CB-CB 4.44Å; L307-E452 HydrophobicContact CD2-CB 3.89Å; E315-E452 VanDerWaalsContact CB-OE1 3.27Å; E315-E452 WeakPolarHBondContact CB-OE1 3.41Å; E315-E452 HydrophobicContact CG-CG 4.25Å; E315-E452 VanDerWaalsContact CG-OE1 3.22Å; E315-E452 WeakPolarHBondContact CG-OE1 3.39Å; E315-E452 PolarHBondContact N-OE1 2.93Å; K401-E452 IonicContact NZ-OE1 2.81Å; K401-E452 IonicContact NZ-OE2 3.23Å; K401-E452 PolarHBondContact NZ-OE2 2.77Å; H403-E452 IonicContact CE1-OE2 3.08Å; H403-E452 PolarHBondContact CE1-OE2 3.35Å; H403-E452 VanDerWaalsContact CE1-OE2 3.28Å; H403-E452 IonicContact NE2-OE2 3.71Å; H403-E452 PolarHBondContact NE2-OE2 2.73Å; F444-E452 HydrophobicContact CD1-CB 4.09Å; F444-E452 HydrophobicContact CD2-CB 4.43Å; F444-E452 HydrophobicContact CD2-CG 4.38Å; F444-E452 VanDerWaalsContact CE1-C 3.41Å; F444-E452 HydrophobicContact CE1-CB 4.15Å; F444-E452 WeakPolarHBondContact CE1-O 3.48Å; F444-E452 HydrophobicContact CG-CB 4.22Å; F444-E452 HydrophobicContact CG-CG 4.25Å; F444-E452 HydrophobicContact CZ-CB 4.36Å; L446-E452 HydrophobicContact CD2-CG 4.21Å; D449-E452 PolarHBondContact O-N 2.86Å; D449-E452 PolarHBondContact OD1-N 2.7Å; P450-E452 VanDerWaalsContact C-N 3.31Å; P450-E452 PolarHBondContact O-N 2.77Å
453	K	98.4	Very high	98.3	Very high	118 Å²	118	56.8 Å²	56.8	51%	0.513	29%	0.293	S	S	.	.			trans	-94.3	-27.3	-173.6	-60.9	-174.7	-178.7	179.2	0	113.8	V426 D449 G451	V426-K453 HydrophobicContact CG2-CG 4.38Å; D449-K453 VanDerWaalsContact CG-N 3.31Å; D449-K453 PolarHBondContact OD1-N 3.41Å; D449-K453 VanDerWaalsContact OD1-N 3.09Å; D449-K453 PolarHBondContact OD2-N 2.79Å; G451-K453 WeakPolarHBondContact O-CG 3.4Å; G451-K453 PolarHBondContact O-N 2.9Å; G451-K453 VanDerWaalsContact O-N 3.17Å
454	Y	98.3	Very high	98.3	Very high	172 Å²	172	61.7 Å²	61.7	68%	0.675	32%	0.316	S	S	*	.	S	Bend	trans	-129.7	86.9	-167.1	-56.1	-70.9	0	0	0	110.1	D449	D449-Y454 PolarHBondContact OD2-N 2.85Å
455	P	98.4	Very high	98.2	Very high	61 Å²	61	65.7 Å²	65.7	40%	0.396	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-61.3	142.1	176.1	26.3	-32.9	0	0	0	110.4	I443 F444	I443-P455 CarbonylContact O-C 3.53Å; I443-P455 WeakPolarHBondContact O-CA 3.49Å; F444-P455 HydrophobicContact CD1-CB 4.47Å; F444-P455 HydrophobicContact CE1-CB 3.9Å; F444-P455 HydrophobicContact CE1-CG 4.37Å; F444-P455 HydrophobicContact CZ-CB 4.09Å
456	L	98.5	Very high	98.2	Very high	26 Å²	26	65 Å²	65	14%	0.136	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-61.7	141.6	176.2	-65	-177.4	0	0	0	110.3	Y400 I443 V458 E462 Y463	Y400-L456 HydrophobicContact CD1-CD1 4.14Å; Y400-L456 HydrophobicContact CE1-CD1 3.99Å; I443-L456 HydrophobicContact CB-CD1 4.36Å; I443-L456 HydrophobicContact CG2-CD1 3.76Å; I443-L456 HydrophobicContact CG2-CG 4.41Å; I443-L456 WeakPolarHBondContact O-CG 3.41Å; I443-L456 PolarHBondContact O-N 2.97Å; L456-V458 PolarHBondContact O-N 2.84Å; L456-E462 HydrophobicContact CD1-CG 3.98Å; L456-Y463 HydrophobicContact CB-CD2 4.11Å
457	S	98.1	Very high	98.2	Very high	71 Å²	71	66.6 Å²	66.6	50%	0.497	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-64	128.7	174	175.3	0	0	0	0	110.3	L459 S460 Y463	S457-L459 PolarHBondContact O-N 3Å; S457-L459 VanDerWaalsContact O-N 3.12Å; S457-L459 PolarHBondContact OG-N 3.13Å; S457-S460 VanDerWaalsContact O-CB 3.26Å; S457-S460 WeakPolarHBondContact O-CB 3.2Å; S457-S460 PolarHBondContact O-N 2.75Å; S457-S460 PolarHBondContact O-OG 3.39Å; S457-Y463 WeakPolarHBondContact O-CB 3.12Å
458	V	97.7	Very high	98.2	Very high	53 Å²	53	72.1 Å²	72.1	32%	0.321	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.4	178	-57.5	0	0	0	0	113.1	Q440 L456 Y463	Q440-V458 VanDerWaalsContact CD-CG1 3.47Å; Q440-V458 HydrophobicContact CG-CB 4.44Å; Q440-V458 HydrophobicContact CG-CG1 3.66Å; L456-V458 PolarHBondContact O-N 2.84Å; V458-Y463 HydrophobicContact CB-CD1 4.39Å; V458-Y463 HydrophobicContact CB-CE1 4.26Å; V458-Y463 HydrophobicContact CG1-CD2 4.38Å; V458-Y463 HydrophobicContact CG1-CE1 4.24Å; V458-Y463 HydrophobicContact CG1-CE2 3.95Å
459	L	97.8	Very high	98.1	Very high	155 Å²	155	68.3 Å²	68.3	81%	0.812	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.3	175.8	-55.7	178.7	0	0	0	112.7	S457	S457-L459 PolarHBondContact O-N 3Å; S457-L459 VanDerWaalsContact O-N 3.12Å; S457-L459 PolarHBondContact OG-N 3.13Å
460	S	98.4	Very high	98	Very high	33 Å²	33	67.7 Å²	67.7	23%	0.231	34%	0.338	C	S	.	.	S	Bend	trans	-84.8	144.2	-178.4	73.5	0	0	0	0	111.5	S457 E462 Y463 E464	S457-S460 VanDerWaalsContact O-CB 3.26Å; S457-S460 WeakPolarHBondContact O-CB 3.2Å; S457-S460 PolarHBondContact O-N 2.75Å; S457-S460 PolarHBondContact O-OG 3.39Å; S460-E462 PolarHBondContact O-N 3.08Å; S460-Y463 WeakPolarHBondContact O-CB 3.19Å; S460-Y463 PolarHBondContact O-N 3.19Å; S460-Y463 VanDerWaalsContact O-N 3.16Å; S460-Y463 WeakPolarHBondContact OG-CB 3.44Å; S460-Y463 PolarHBondContact OG-N 3.48Å; S460-Y463 VanDerWaalsContact OG-N 3.14Å; S460-E464 PolarHBondContact O-N 3.03Å
461	K	98.2	Very high	98	Very high	148 Å²	148	67 Å²	67	64%	0.643	33%	0.334	S	S	*	.	H	α-helix	trans	-59.3	-35	173.2	-165.9	-173.7	-175.4	-130.5	0	112.2	E464 E465	K461-E464 PolarHBondContact O-N 2.75Å; K461-E465 WeakPolarHBondContact CE-OE1 3.35Å; K461-E465 HydrophobicContact CG-CG 4.44Å; K461-E465 IonicContact NZ-OE1 2.75Å; K461-E465 PolarHBondContact NZ-OE1 3.16Å; K461-E465 WeakPolarHBondContact O-CG 3.46Å; K461-E465 PolarHBondContact O-N 3.26Å
462	E	98.4	Very high	97.9	Very high	54 Å²	54	69.6 Å²	69.6	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-46.2	176.3	-174.7	177.3	-159.8	0	0	111	Y400 H445 R448 L456 S460 E464 E465 V466	Y400-E462 HydrophobicContact CE1-CG 4.01Å; Y400-E462 WeakPolarHBondContact CE1-OE1 3.34Å; Y400-E462 VanDerWaalsContact CZ-OE1 3.32Å; Y400-E462 PolarHBondContact OH-OE1 3.21Å; H445-E462 IonicContact CD2-OE1 3.49Å; R448-E462 IonicContact CZ-OE1 3.66Å; R448-E462 IonicContact CZ-OE2 3.44Å; R448-E462 IonicContact NH1-OE1 3.05Å; R448-E462 PolarHBondContact NH1-OE1 2.93Å; R448-E462 VanDerWaalsContact NH1-OE1 3.15Å; R448-E462 IonicContact NH2-OE1 3.99Å; R448-E462 PolarHBondContact NH2-OE1 3.42Å; R448-E462 IonicContact NH2-OE2 2.66Å; R448-E462 PolarHBondContact NH2-OE2 2.87Å; L456-E462 HydrophobicContact CD1-CG 3.98Å; S460-E462 PolarHBondContact O-N 3.08Å; E462-E464 PolarHBondContact O-N 2.96Å; E462-E465 PolarHBondContact O-N 2.77Å; E462-V466 HydrophobicContact CG-CG2 4.4Å; E462-V466 WeakPolarHBondContact O-CB 3.4Å; E462-V466 WeakPolarHBondContact O-CG2 2.95Å; E462-V466 PolarHBondContact O-N 3.02Å
463	Y	98.7	Very high	97.8	Very high	9 Å²	9	71.4 Å²	71.4	4%	0.035	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-48	176.6	-177.6	-85.1	0	0	0	111.8	Q440 P441 I443 L456 S457 V458 S460 E465 V466 L467	Q440-Y463 WeakPolarHBondContact CG-OH 3.43Å; P441-Y463 VanDerWaalsContact O-CE2 3.29Å; P441-Y463 WeakPolarHBondContact O-CE2 3.46Å; P441-Y463 PolarHBondContact O-OH 2.87Å; I443-Y463 HydrophobicContact CB-CD2 4.03Å; I443-Y463 HydrophobicContact CB-CE2 3.98Å; I443-Y463 HydrophobicContact CD1-CD2 3.74Å; I443-Y463 HydrophobicContact CD1-CE1 4.5Å; I443-Y463 HydrophobicContact CD1-CE2 3.53Å; I443-Y463 HydrophobicContact CD1-CG 4.29Å; I443-Y463 HydrophobicContact CG1-CD2 4.03Å; I443-Y463 HydrophobicContact CG1-CE2 3.61Å; L456-Y463 HydrophobicContact CB-CD2 4.11Å; S457-Y463 WeakPolarHBondContact O-CB 3.12Å; V458-Y463 HydrophobicContact CB-CD1 4.39Å; V458-Y463 HydrophobicContact CB-CE1 4.26Å; V458-Y463 HydrophobicContact CG1-CD2 4.38Å; V458-Y463 HydrophobicContact CG1-CE1 4.24Å; V458-Y463 HydrophobicContact CG1-CE2 3.95Å; S460-Y463 WeakPolarHBondContact O-CB 3.19Å; S460-Y463 PolarHBondContact O-N 3.19Å; S460-Y463 VanDerWaalsContact O-N 3.16Å; S460-Y463 WeakPolarHBondContact OG-CB 3.44Å; S460-Y463 PolarHBondContact OG-N 3.48Å; S460-Y463 VanDerWaalsContact OG-N 3.14Å; Y463-E465 PolarHBondContact O-N 3.16Å; Y463-V466 PolarHBondContact O-N 3.15Å; Y463-L467 HydrophobicContact CE1-CB 4.35Å; Y463-L467 HydrophobicContact CE1-CD2 3.76Å; Y463-L467 WeakPolarHBondContact O-CB 2.94Å; Y463-L467 PolarHBondContact O-N 2.85Å
464	E	98	Very high	97.8	Very high	103 Å²	103	66.1 Å²	66.1	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-42.5	-179.4	-66.3	-179.6	-177.3	0	0	113.1	S460 K461 E462 R468	S460-E464 PolarHBondContact O-N 3.03Å; K461-E464 PolarHBondContact O-N 2.75Å; E462-E464 PolarHBondContact O-N 2.96Å; E464-R468 WeakPolarHBondContact O-CB 3.43Å; E464-R468 PolarHBondContact O-N 3.22Å; E464-R468 VanDerWaalsContact O-N 3.13Å
465	E	97.7	Very high	97.7	Very high	84 Å²	84	63.9 Å²	63.9	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-42	179.1	-73.4	176	-179.6	0	0	111.6	K461 E462 Y463 S469	K461-E465 WeakPolarHBondContact CE-OE1 3.35Å; K461-E465 HydrophobicContact CG-CG 4.44Å; K461-E465 IonicContact NZ-OE1 2.75Å; K461-E465 PolarHBondContact NZ-OE1 3.16Å; K461-E465 WeakPolarHBondContact O-CG 3.46Å; K461-E465 PolarHBondContact O-N 3.26Å; E462-E465 PolarHBondContact O-N 2.77Å; Y463-E465 PolarHBondContact O-N 3.16Å; E465-S469 PolarHBondContact O-N 2.88Å; E465-S469 PolarHBondContact O-OG 3.08Å
466	V	97.6	Very high	97.7	Very high	12 Å²	12	66.2 Å²	66.2	7%	0.073	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-47.9	177.6	175	0	0	0	0	110.7	Y400 I443 E462 Y463 R468 S469 V470	Y400-V466 HydrophobicContact CD1-CB 4.39Å; Y400-V466 HydrophobicContact CD1-CG1 3.96Å; Y400-V466 HydrophobicContact CD1-CG2 3.6Å; Y400-V466 HydrophobicContact CD2-CG1 4.16Å; Y400-V466 HydrophobicContact CD2-CG2 3.66Å; Y400-V466 HydrophobicContact CE1-CG2 3.55Å; Y400-V466 HydrophobicContact CE2-CG2 3.64Å; Y400-V466 HydrophobicContact CG-CB 4.31Å; Y400-V466 HydrophobicContact CG-CG1 3.62Å; Y400-V466 HydrophobicContact CG-CG2 3.63Å; I443-V466 HydrophobicContact CD1-CB 4.49Å; I443-V466 HydrophobicContact CD1-CG1 4.15Å; I443-V466 HydrophobicContact CG2-CB 4.49Å; I443-V466 HydrophobicContact CG2-CG1 3.77Å; E462-V466 HydrophobicContact CG-CG2 4.4Å; E462-V466 WeakPolarHBondContact O-CB 3.4Å; E462-V466 WeakPolarHBondContact O-CG2 2.95Å; E462-V466 PolarHBondContact O-N 3.02Å; Y463-V466 PolarHBondContact O-N 3.15Å; V466-R468 VanDerWaalsContact C-N 3.27Å; V466-R468 PolarHBondContact O-N 2.65Å; V466-S469 PolarHBondContact O-N 2.86Å; V466-V470 HydrophobicContact CG1-CG2 3.98Å; V466-V470 WeakPolarHBondContact O-CG2 3.34Å; V466-V470 PolarHBondContact O-N 2.74Å
467	L	98.2	Very high	97.6	Very high	41 Å²	41	65.5 Å²	65.5	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-57	-42.6	179.9	180	61.8	0	0	0	111.1	P441 I443 Y463 S469 S471	P441-L467 HydrophobicContact CG-CD1 3.96Å; I443-L467 HydrophobicContact CD1-CB 4Å; I443-L467 HydrophobicContact CD1-CD1 4.4Å; Y463-L467 HydrophobicContact CE1-CB 4.35Å; Y463-L467 HydrophobicContact CE1-CD2 3.76Å; Y463-L467 WeakPolarHBondContact O-CB 2.94Å; Y463-L467 PolarHBondContact O-N 2.85Å; L467-S469 VanDerWaalsContact C-N 3.33Å; L467-S469 PolarHBondContact O-N 3.44Å; L467-S471 WeakPolarHBondContact O-CB 3.26Å; L467-S471 PolarHBondContact O-N 2.68Å; L467-S471 PolarHBondContact O-OG 3.43Å
468	R	97.4	Very high	97.5	Very high	167 Å²	167	67.3 Å²	67.3	63%	0.63	34%	0.341	S	S	*	.	H	α-helix	trans	-58.9	-44.6	175.8	-170.7	-176.1	-58.5	119.4	6	112	E464 V466 A472	E464-R468 WeakPolarHBondContact O-CB 3.43Å; E464-R468 PolarHBondContact O-N 3.22Å; E464-R468 VanDerWaalsContact O-N 3.13Å; V466-R468 VanDerWaalsContact C-N 3.27Å; V466-R468 PolarHBondContact O-N 2.65Å; R468-A472 PolarHBondContact O-N 2.83Å
469	S	96.6	Very high	97.5	Very high	65 Å²	65	73 Å²	73	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-69.9	-46.4	-177.2	-55.4	0	0	0	0	112	E465 V466 L467	E465-S469 PolarHBondContact O-N 2.88Å; E465-S469 PolarHBondContact O-OG 3.08Å; V466-S469 PolarHBondContact O-N 2.86Å; L467-S469 VanDerWaalsContact C-N 3.33Å; L467-S469 PolarHBondContact O-N 3.44Å
470	V	97	Very high	97.3	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-42.5	178.7	176.8	0	0	0	0	110.9	V395 L397 A402 Y404 V466 A472 V473 V474	V395-V470 HydrophobicContact CB-CG1 4.18Å; V395-V470 HydrophobicContact CG1-CG1 4.33Å; L397-V470 HydrophobicContact CB-CG2 4.06Å; L397-V470 HydrophobicContact CD2-CG2 4.42Å; A402-V470 HydrophobicContact CB-CG1 3.98Å; Y404-V470 HydrophobicContact CE2-CG1 4.42Å; V466-V470 HydrophobicContact CG1-CG2 3.98Å; V466-V470 WeakPolarHBondContact O-CG2 3.34Å; V466-V470 PolarHBondContact O-N 2.74Å; V470-A472 VanDerWaalsContact C-N 3.28Å; V470-A472 PolarHBondContact O-N 2.93Å; V470-V473 PolarHBondContact O-N 2.83Å; V470-V474 HydrophobicContact CG1-CG2 4.11Å; V470-V474 WeakPolarHBondContact O-CG2 3.38Å; V470-V474 PolarHBondContact O-N 3.06Å
471	S	96.9	Very high	97.3	Very high	30 Å²	30	68.6 Å²	68.6	21%	0.21	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-37.8	-180	-62.9	0	0	0	0	112.5	L467 V473 V474 Q475	L467-S471 WeakPolarHBondContact O-CB 3.26Å; L467-S471 PolarHBondContact O-N 2.68Å; L467-S471 PolarHBondContact O-OG 3.43Å; S471-V473 VanDerWaalsContact C-N 3.32Å; S471-V473 PolarHBondContact O-N 2.97Å; S471-V474 PolarHBondContact O-N 3.03Å; S471-Q475 WeakPolarHBondContact O-CB 3.25Å; S471-Q475 WeakPolarHBondContact O-CG 3.5Å; S471-Q475 PolarHBondContact O-N 3.47Å
472	A	97	Very high	97.2	Very high	59 Å²	59	67 Å²	67	49%	0.488	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-41.5	176.3	0	0	0	0	0	112	R468 V470 Q476	R468-A472 PolarHBondContact O-N 2.83Å; V470-A472 VanDerWaalsContact C-N 3.28Å; V470-A472 PolarHBondContact O-N 2.93Å; A472-Q476 WeakPolarHBondContact O-CB 3.47Å; A472-Q476 PolarHBondContact O-N 3.07Å; A472-Q476 VanDerWaalsContact O-N 3.1Å
473	V	97.1	Very high	97.1	Very high	38 Å²	38	67.9 Å²	67.9	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-71	-40.5	178.5	179.4	0	0	0	0	111.5	P383 F385 L397 V470 S471 Q476 H477	P383-V473 HydrophobicContact CB-CG1 3.59Å; P383-V473 HydrophobicContact CG-CG1 3.58Å; F385-V473 HydrophobicContact CE1-CG1 4.27Å; F385-V473 HydrophobicContact CZ-CG1 3.89Å; L397-V473 HydrophobicContact CD1-CG2 4.42Å; L397-V473 HydrophobicContact CD2-CG2 4.02Å; V470-V473 PolarHBondContact O-N 2.83Å; S471-V473 VanDerWaalsContact C-N 3.32Å; S471-V473 PolarHBondContact O-N 2.97Å; V473-Q476 PolarHBondContact O-N 3.41Å; V473-H477 WeakPolarHBondContact O-CB 3.48Å; V473-H477 PolarHBondContact O-N 2.95Å
474	V	97.6	Very high	97	Very high	6 Å²	6	68.4 Å²	68.4	4%	0.036	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-49.2	175.1	169.8	0	0	0	0	111.4	M392 V395 Y404 V470 S471 Q476 H477 Q478	M392-V474 HydrophobicContact CE-CB 4.41Å; M392-V474 HydrophobicContact CE-CG1 3.62Å; M392-V474 HydrophobicContact CE-CG2 3.94Å; M392-V474 HydrophobicContact SD-CG1 4.47Å; M392-V474 HydrophobicContact SD-CG2 4.49Å; V395-V474 HydrophobicContact CB-CG2 4.22Å; V395-V474 HydrophobicContact CG1-CG2 4.5Å; V395-V474 HydrophobicContact CG2-CG2 3.65Å; Y404-V474 HydrophobicContact CE2-CG2 3.78Å; V470-V474 HydrophobicContact CG1-CG2 4.11Å; V470-V474 WeakPolarHBondContact O-CG2 3.38Å; V470-V474 PolarHBondContact O-N 3.06Å; S471-V474 PolarHBondContact O-N 3.03Å; V474-Q476 VanDerWaalsContact C-N 3.3Å; V474-Q476 PolarHBondContact O-N 2.76Å; V474-H477 PolarHBondContact O-N 3.47Å; V474-Q478 HydrophobicContact CG1-CG 4.27Å; V474-Q478 WeakPolarHBondContact O-CB 3.05Å; V474-Q478 WeakPolarHBondContact O-CG 3.2Å; V474-Q478 PolarHBondContact O-N 3.27Å
475	Q	97.3	Very high	97	Very high	126 Å²	126	70.7 Å²	70.7	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-60.8	-41.2	179	-73.2	171.1	10.2	0	0	111.5	S471 K479	S471-Q475 WeakPolarHBondContact O-CB 3.25Å; S471-Q475 WeakPolarHBondContact O-CG 3.5Å; S471-Q475 PolarHBondContact O-N 3.47Å; Q475-K479 WeakPolarHBondContact O-CB 3.15Å; Q475-K479 PolarHBondContact O-N 2.87Å
476	Q	97.1	Very high	97.1	Very high	110 Å²	110	68.1 Å²	68.1	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-43.2	177.2	-178.9	58.2	23.7	0	0	111.9	A472 V473 V474 T480	A472-Q476 WeakPolarHBondContact O-CB 3.47Å; A472-Q476 PolarHBondContact O-N 3.07Å; A472-Q476 VanDerWaalsContact O-N 3.1Å; V473-Q476 PolarHBondContact O-N 3.41Å; V474-Q476 VanDerWaalsContact C-N 3.3Å; V474-Q476 PolarHBondContact O-N 2.76Å; Q476-T480 WeakPolarHBondContact O-CG2 3.3Å; Q476-T480 PolarHBondContact O-N 3.25Å; Q476-T480 VanDerWaalsContact O-N 3.16Å; Q476-T480 PolarHBondContact O-OG1 3.12Å
477	H	97.3	Very high	97.1	Very high	10 Å²	10	69.1 Å²	69.1	5%	0.046	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-52.1	175.8	177	61.6	0	0	0	111.3	R93 F385 Y387 V473 V474 K479 T480 L481	R93-H477 PolarHBondContact NH2-CE1 3.43Å; R93-H477 PolarHBondContact NH2-ND1 3.2Å; F385-H477 AromaticContact CD1-CD2 3.85Å; F385-H477 HydrophobicContact CE1-CB 3.66Å; F385-H477 AromaticContact CE1-CD2 3.83Å; F385-H477 AromaticContact CE1-CG 3.69Å; F385-H477 HydrophobicContact CE2-CB 4.28Å; F385-H477 AromaticContact CE2-CG 3.97Å; F385-H477 AromaticContact CE2-ND1 3.88Å; F385-H477 HydrophobicContact CZ-CB 3.51Å; F385-H477 AromaticContact CZ-CG 3.61Å; F385-H477 AromaticContact CZ-ND1 4Å; Y387-H477 AromaticContact CE2-NE2 3.66Å; Y387-H477 AromaticContact CZ-NE2 3.66Å; Y387-H477 PolarHBondContact OH-NE2 2.98Å; V473-H477 WeakPolarHBondContact O-CB 3.48Å; V473-H477 PolarHBondContact O-N 2.95Å; V474-H477 PolarHBondContact O-N 3.47Å; H477-K479 VanDerWaalsContact C-N 3.32Å; H477-K479 PolarHBondContact O-N 2.03Å; H477-T480 CarbonylContact O-C 3.54Å; H477-T480 PolarHBondContact O-N 2.89Å; H477-T480 VanDerWaalsContact O-N 3.12Å; H477-T480 PolarHBondContact O-OG1 3.31Å; H477-L481 VanDerWaalsContact O-CB 3.26Å; H477-L481 WeakPolarHBondContact O-CB 3.37Å; H477-L481 PolarHBondContact O-N 2.97Å
478	Q	95.9	Very high	97.1	Very high	109 Å²	109	67.1 Å²	67.1	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-59	-40.9	178.7	-72.5	176.1	-23.7	0	0	112.5	V474 T480 L481	V474-Q478 HydrophobicContact CG1-CG 4.27Å; V474-Q478 WeakPolarHBondContact O-CB 3.05Å; V474-Q478 WeakPolarHBondContact O-CG 3.2Å; V474-Q478 PolarHBondContact O-N 3.27Å; Q478-T480 VanDerWaalsContact C-N 3.29Å; Q478-T480 PolarHBondContact O-N 3.01Å; Q478-L481 PolarHBondContact O-N 3.29Å
479	K	96.8	Very high	97.2	Very high	173 Å²	173	60.4 Å²	60.4	75%	0.752	33%	0.333	S	S	*	.	H	α-helix	trans	-65.3	-31.6	178.4	-177.3	179.5	177.7	-176	0	113.1	Q475 H477	Q475-K479 WeakPolarHBondContact O-CB 3.15Å; Q475-K479 PolarHBondContact O-N 2.87Å; H477-K479 VanDerWaalsContact C-N 3.32Å; H477-K479 PolarHBondContact O-N 2.03Å
480	T	95.1	Very high	97.3	Very high	60 Å²	60	60.7 Å²	60.7	37%	0.368	33%	0.328	S	S	.	.	H	α-helix	trans	-101.7	-4.5	-177.1	57.6	0	0	0	0	113.3	Q476 H477 Q478 V482	Q476-T480 WeakPolarHBondContact O-CG2 3.3Å; Q476-T480 PolarHBondContact O-N 3.25Å; Q476-T480 VanDerWaalsContact O-N 3.16Å; Q476-T480 PolarHBondContact O-OG1 3.12Å; H477-T480 CarbonylContact O-C 3.54Å; H477-T480 PolarHBondContact O-N 2.89Å; H477-T480 VanDerWaalsContact O-N 3.12Å; H477-T480 PolarHBondContact O-OG1 3.31Å; Q478-T480 VanDerWaalsContact C-N 3.29Å; Q478-T480 PolarHBondContact O-N 3.01Å; T480-V482 PolarHBondContact O-N 3.09Å
481	L	96.6	Very high	97.4	Very high	35 Å²	35	61 Å²	61	18%	0.183	33%	0.33	C	S	.	.			trans	-74.6	115	178.4	179.6	62.3	0	0	0	110.2	V92 R93 Y387 H477 Q478 P483	V92-L481 HydrophobicContact CG1-CD1 3.87Å; V92-L481 HydrophobicContact CG1-CD2 4.41Å; V92-L481 HydrophobicContact CG2-CD2 4.42Å; R93-L481 HydrophobicContact CG-CD1 3.93Å; Y387-L481 WeakPolarHBondContact OH-CD2 3.06Å; H477-L481 VanDerWaalsContact O-CB 3.26Å; H477-L481 WeakPolarHBondContact O-CB 3.37Å; H477-L481 PolarHBondContact O-N 2.97Å; Q478-L481 PolarHBondContact O-N 3.29Å; L481-P483 HydrophobicContact CG-CG 4.31Å
482	V	96.3	Very high	97.5	Very high	115 Å²	115	60.3 Å²	60.3	70%	0.697	32%	0.324	S	S	*	.			trans	-106.7	105.4	163.9	-177.2	0	0	0	0	107	T480	T480-V482 PolarHBondContact O-N 3.09Å
483	P	97.1	Very high	97.5	Very high	72 Å²	72	60.9 Å²	60.9	47%	0.468	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-64.4	140.2	178.4	-21.8	33.7	0	0	0	111.8	V92 L481	V92-P483 HydrophobicContact CG2-CB 4.11Å; V92-P483 HydrophobicContact CG2-CG 4.49Å; V92-P483 CarbonylContact O-C 3.54Å; V92-P483 VanDerWaalsContact O-CA 3.31Å; V92-P483 WeakPolarHBondContact O-CA 3.1Å; L481-P483 HydrophobicContact CG-CG 4.31Å
484	G	97.3	Very high	97.5	Very high	21 Å²	21	60.7 Å²	60.7	22%	0.216	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-73.3	167.4	170.2	0	0	0	0	0	111.8	V92 R93 Y97 P486	V92-G484 PolarHBondContact O-N 3.38Å; R93-G484 VanDerWaalsContact O-CA 3.28Å; R93-G484 WeakPolarHBondContact O-CA 3.44Å; R93-G484 PolarHBondContact O-N 2.83Å; Y97-G484 WeakPolarHBondContact CE1-O 3.35Å; Y97-G484 PolarHBondContact OH-O 3.22Å; G484-P486 WeakPolarHBondContact O-CD 3.26Å
485	M	97.9	Very high	97.6	Very high	150 Å²	150	61.8 Å²	61.8	74%	0.739	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-68.7	123.3	174.7	-175	-177.3	-62.5	0	0	110.1	G95 Q487	G95-M485 VanDerWaalsContact CA-O 3.32Å; G95-M485 WeakPolarHBondContact CA-O 3.39Å; M485-Q487 PolarHBondContact O-N 3.28Å; M485-Q487 PolarHBondContact O-NE2 3.44Å
486	P	98.3	Very high	97.6	Very high	31 Å²	31	56.2 Å²	56.2	20%	0.201	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-65.4	118.5	-178.3	24.4	-32.3	0	0	0	111	Y97 T99 G484 N489	Y97-P486 HydrophobicContact CD1-CB 4.32Å; Y97-P486 HydrophobicContact CD2-CB 4.46Å; Y97-P486 HydrophobicContact CE1-CB 3.97Å; Y97-P486 HydrophobicContact CE2-CB 4.15Å; Y97-P486 WeakPolarHBondContact O-CB 3.47Å; T99-P486 HydrophobicContact CG2-CB 4.28Å; T99-P486 HydrophobicContact CG2-CG 4.02Å; G484-P486 WeakPolarHBondContact O-CD 3.26Å; P486-N489 WeakPolarHBondContact CG-ND2 3.49Å
487	Q	98.6	Very high	97.7	Very high	32 Å²	32	51.3 Å²	51.3	15%	0.15	28%	0.279	C	S	.	.	S	Bend	trans	-86.1	-15.3	-177.5	-61.9	-59.4	-48.8	0	0	112.5	G95 G115 M485	G95-Q487 WeakPolarHBondContact O-CB 3.44Å; G95-Q487 PolarHBondContact O-N 2.97Å; G115-Q487 VanDerWaalsContact O-CG 3.26Å; G115-Q487 WeakPolarHBondContact O-CG 3.4Å; G115-Q487 PolarHBondContact O-OE1 2.94Å; M485-Q487 PolarHBondContact O-N 3.28Å; M485-Q487 PolarHBondContact O-NE2 3.44Å
488	L	98.7	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-103.4	22.6	-168.9	-47	-177.4	0	0	0	113.3	F96 Y97 A106 T108 I112 W522	F96-L488 HydrophobicContact CB-CD1 4.44Å; Y97-L488 WeakPolarHBondContact O-CB 3.31Å; Y97-L488 PolarHBondContact O-N 3.08Å; A106-L488 HydrophobicContact CB-CB 3.77Å; A106-L488 HydrophobicContact CB-CD1 3.69Å; A106-L488 HydrophobicContact CB-CG 4.4Å; A106-L488 WeakPolarHBondContact O-CD1 3.34Å; T108-L488 HydrophobicContact CG2-CD2 3.78Å; I112-L488 HydrophobicContact CD1-CB 4.37Å; I112-L488 HydrophobicContact CD1-CD2 4.26Å; I112-L488 HydrophobicContact CG1-CD2 4.21Å; L488-W522 PolarHBondContact O-NE1 2.9Å
489	N	98.7	Very high	97.9	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.139	28%	0.277	C	S	.	.	S	Bend	trans	-86.8	-32.3	-179	-78	-5.3	0	0	0	113.8	T98 T99 N100 P486 K519 C520	T98-N489 VanDerWaalsContact CA-OD1 3.28Å; T98-N489 WeakPolarHBondContact CA-OD1 3.07Å; T98-N489 PolarHBondContact OG1-OD1 2.84Å; T99-N489 PolarHBondContact N-OD1 2.82Å; T99-N489 PolarHBondContact OG1-ND2 2.52Å; N100-N489 PolarHBondContact ND2-O 3.46Å; N100-N489 PolarHBondContact OD1-OD1 3.35Å; P486-N489 WeakPolarHBondContact CG-ND2 3.49Å; N489-K519 CarbonylContact O-C 3.55Å; N489-K519 VanDerWaalsContact O-CA 3.29Å; N489-K519 WeakPolarHBondContact O-CA 3.41Å; N489-C520 PolarHBondContact O-N 3.26Å
490	M	98.6	Very high	97.9	Very high	71 Å²	71	41.3 Å²	41.3	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.1	-166.4	-60.6	-57.6	-64.4	0	0	112	I112 V113 P517 W518 K519 C520	I112-M490 WeakPolarHBondContact CD1-O 3.49Å; V113-M490 HydrophobicContact CB-CB 3.95Å; V113-M490 WeakPolarHBondContact CB-O 3.45Å; V113-M490 HydrophobicContact CG2-CB 4.02Å; V113-M490 WeakPolarHBondContact CG2-O 3.32Å; V113-M490 PolarHBondContact N-O 3.23Å; M490-P517 HydrophobicContact CE-CB 3.91Å; M490-W518 CarbonylContact C-O 3.59Å; M490-W518 WeakPolarHBondContact CA-O 3.43Å; M490-W518 WeakPolarHBondContact CE-O 3.26Å; M490-K519 HydrophobicContact SD-CG 4.18Å; M490-C520 PolarHBondContact O-SG 3.24Å
491	C	98.8	Very high	98	Very high	6 Å²	6	41 Å²	41	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.1	177.6	-76.6	0	0	0	0	110.2	E111 P517 W518 C520	E111-C491 HydrophobicContact CB-CB 4.22Å; E111-C491 HydrophobicContact CG-CB 4.03Å; E111-C491 CarbonylContact O-C 3.32Å; E111-C491 WeakPolarHBondContact O-CA 3.4Å; C491-P517 CarbonylContact O-C 3.52Å; C491-P517 VanDerWaalsContact O-CA 3.28Å; C491-P517 WeakPolarHBondContact O-CA 3.49Å; C491-W518 HydrophobicContact CB-CD2 4.13Å; C491-W518 HydrophobicContact CB-CH2 4.08Å; C491-W518 HydrophobicContact CB-CZ2 3.47Å; C491-W518 VanDerWaalsContact CB-CZ2 3.47Å; C491-W518 PolarHBondContact N-O 3.25Å; C491-W518 PolarHBondContact O-N 2.04Å; C491-C520 VanDerWaalsContact CA-SG 3.59Å; C491-C520 HydrophobicContact CB-CB 4.12Å; C491-C520 WeakPolarHBondContact CB-SG 3.47Å; C491-C520 PolarHBondContact N-SG 2.74Å; C491-C520 WeakPolarHBondContact SG-CB 3.42Å; C491-C520 CovalentContact SG-SG 2.04Å; C491-C520 PolarHBondContact SG-SG 3.4Å
492	D	98.6	Very high	98.1	Very high	17 Å²	17	39.9 Å²	39.9	9%	0.091	24%	0.239	C	C	.	.			trans	-149	132.3	176.2	-169.1	-10.2	0	0	0	110.3	E111 V113 A494 V495 S515 P517	E111-D492 WeakPolarHBondContact CA-O 3.36Å; E111-D492 PolarHBondContact O-N 2.87Å; V113-D492 HydrophobicContact CG2-CB 3.73Å; D492-A494 VanDerWaalsContact C-N 3.28Å; D492-A494 PolarHBondContact O-N 3.38Å; D492-A494 PolarHBondContact OD1-N 2.84Å; D492-A494 VanDerWaalsContact OD1-N 3.08Å; D492-V495 HydrophobicContact CB-CG1 3.94Å; D492-V495 HydrophobicContact CB-CG2 4.02Å; D492-V495 VanDerWaalsContact O-CG2 3.27Å; D492-V495 WeakPolarHBondContact O-CG2 3.49Å; D492-V495 PolarHBondContact O-N 3.38Å; D492-S515 WeakPolarHBondContact OD1-CB 3.23Å; D492-S515 PolarHBondContact OD1-OG 2.87Å; D492-P517 HydrophobicContact CB-CB 4.46Å; D492-P517 HydrophobicContact CB-CG 4.33Å
493	L	98.1	Very high	98.1	Very high	70 Å²	70	34.7 Å²	34.7	37%	0.366	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-68.7	-33.6	178.8	-67.3	179.7	0	0	0	110.3	V495 M496 W498 P513 W518	L493-V495 PolarHBondContact O-N 3.08Å; L493-M496 HydrophobicContact CD2-CE 3.46Å; L493-M496 VanDerWaalsContact CD2-CE 3.46Å; L493-M496 WeakPolarHBondContact O-CG 3.37Å; L493-M496 PolarHBondContact O-N 2.92Å; L493-W498 PolarHBondContact O-NE1 3.28Å; L493-P513 HydrophobicContact CB-CG 3.96Å; L493-W518 HydrophobicContact CB-CH2 4.33Å; L493-W518 HydrophobicContact CB-CZ3 4.37Å; L493-W518 HydrophobicContact CD2-CH2 3.73Å; L493-W518 HydrophobicContact CD2-CZ3 4.46Å; L493-W518 HydrophobicContact CG-CH2 3.58Å; L493-W518 HydrophobicContact CG-CZ3 3.82Å; L493-W518 VanDerWaalsContact N-CH2 3.32Å
494	A	98	Very high	98.2	Very high	35 Å²	35	39.4 Å²	39.4	29%	0.289	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-69	-19.6	-177.5	0	0	0	0	0	112.8	D492 S515	D492-A494 VanDerWaalsContact C-N 3.28Å; D492-A494 PolarHBondContact O-N 3.38Å; D492-A494 PolarHBondContact OD1-N 2.84Å; D492-A494 VanDerWaalsContact OD1-N 3.08Å; A494-S515 VanDerWaalsContact CB-OG 3.23Å; A494-S515 WeakPolarHBondContact CB-OG 3.36Å; A494-S515 PolarHBondContact N-OG 2.87Å
495	V	98.3	Very high	98.2	Very high	28 Å²	28	45.8 Å²	45.8	17%	0.17	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-89.2	-4.9	-179.8	-52.7	0	0	0	0	113.8	I112 H144 D492 L493	I112-V495 WeakPolarHBondContact O-CG2 3.28Å; H144-V495 PolarHBondContact NE2-O 2.98Å; D492-V495 HydrophobicContact CB-CG1 3.94Å; D492-V495 HydrophobicContact CB-CG2 4.02Å; D492-V495 VanDerWaalsContact O-CG2 3.27Å; D492-V495 WeakPolarHBondContact O-CG2 3.49Å; D492-V495 PolarHBondContact O-N 3.38Å; L493-V495 PolarHBondContact O-N 3.08Å
496	M	98.7	Very high	98.2	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.049	23%	0.228	C	C	.	.	S	Bend	trans	-58	169.5	173.3	-57.8	179.9	174.9	0	0	111.6	Q110 E111 R174 P175 L493 W498	Q110-M496 HydrophobicContact CB-CB 4.06Å; Q110-M496 HydrophobicContact CB-CG 3.86Å; Q110-M496 WeakPolarHBondContact O-CA 3.38Å; E111-M496 HydrophobicContact CB-CE 3.72Å; E111-M496 HydrophobicContact CB-CG 4.35Å; E111-M496 HydrophobicContact CG-CE 4.41Å; R174-M496 HydrophobicContact CB-SD 4.27Å; R174-M496 HydrophobicContact CG-SD 3.91Å; P175-M496 HydrophobicContact CG-CB 3.92Å; L493-M496 HydrophobicContact CD2-CE 3.46Å; L493-M496 VanDerWaalsContact CD2-CE 3.46Å; L493-M496 WeakPolarHBondContact O-CG 3.37Å; L493-M496 PolarHBondContact O-N 2.92Å; M496-W498 PolarHBondContact O-N 2.94Å; M496-W498 HydrophobicContact SD-CZ2 4.23Å
497	N	98.4	Very high	98.1	Very high	7 Å²	7	44 Å²	44	4%	0.037	25%	0.253	C	S	.	.	S	Bend	trans	-71.2	47.6	-174.2	-64.1	-66	0	0	0	114.2	Q110 H144 N163 P175 P178 R188 P500	Q110-N497 PolarHBondContact OE1-ND2 2.74Å; H144-N497 PolarHBondContact CD2-OD1 3.38Å; N163-N497 PolarHBondContact OD1-ND2 2.69Å; P175-N497 WeakPolarHBondContact CB-O 3.4Å; P175-N497 HydrophobicContact CG-CB 4.21Å; P178-N497 VanDerWaalsContact CD-CB 3.49Å; P178-N497 VanDerWaalsContact CD-CG 3.47Å; P178-N497 HydrophobicContact CG-CB 3.86Å; R188-N497 PolarHBondContact NH1-O 2.94Å; R188-N497 PolarHBondContact NH2-O 3.27Å; N497-P500 HydrophobicContact CB-CG 4.01Å; N497-P500 WeakPolarHBondContact O-CD 3.42Å; N497-P500 WeakPolarHBondContact O-CG 3.29Å
498	W	98.6	Very high	98.1	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.027	26%	0.256	C	S	.	.	S	Bend	trans	-65.5	-51.1	-178.5	-62.1	107.7	0	0	0	111.6	S171 V173 P175 R188 L493 M496 L510 P512 P513	S171-W498 WeakPolarHBondContact O-CZ3 3.09Å; V173-W498 WeakPolarHBondContact O-CH2 3.1Å; P175-W498 HydrophobicContact CB-CE3 4.28Å; P175-W498 HydrophobicContact CG-CD2 4.12Å; P175-W498 HydrophobicContact CG-CE3 4.24Å; P175-W498 HydrophobicContact CG-CG 4.49Å; R188-W498 PolarHBondContact NH2-O 3.18Å; R188-W498 VanDerWaalsContact NH2-O 3.12Å; L493-W498 PolarHBondContact O-NE1 3.28Å; M496-W498 PolarHBondContact O-N 2.94Å; M496-W498 HydrophobicContact SD-CZ2 4.23Å; W498-L510 HydrophobicContact CB-CB 4.46Å; W498-L510 HydrophobicContact CE3-CB 3.84Å; W498-L510 HydrophobicContact CE3-CD1 4.39Å; W498-L510 WeakPolarHBondContact O-CB 3.37Å; W498-L510 PolarHBondContact O-N 3.11Å; W498-P512 HydrophobicContact CB-CB 4.11Å; W498-P512 HydrophobicContact CD2-CB 4.47Å; W498-P512 HydrophobicContact CG-CB 3.82Å; W498-P513 HydrophobicContact CZ2-CG 3.88Å
499	S	97.8	Very high	98.1	Very high	68 Å²	68	47.1 Å²	47.1	48%	0.476	27%	0.272	S	S	.	.	S	Bend	trans	-131.6	69.1	-179.8	-66	0	0	0	0	111.8	C503 L510	S499-C503 VanDerWaalsContact CA-SG 3.59Å; S499-L510 PolarHBondContact OG-O 2.89Å
500	P	97.8	Very high	98	Very high	6 Å²	6	48 Å²	48	4%	0.039	28%	0.277	C	S	.	.			trans	-63.8	151.5	176	-16.1	31.1	0	0	0	111.4	P178 Y180 M185 R188 N497 G502 C503	P178-P500 HydrophobicContact CB-CB 4.45Å; P178-P500 HydrophobicContact CB-CG 4.07Å; P178-P500 HydrophobicContact CG-CB 4.44Å; P178-P500 HydrophobicContact CG-CG 3.98Å; Y180-P500 WeakPolarHBondContact OH-CB 3.12Å; M185-P500 HydrophobicContact CB-CB 4.26Å; M185-P500 HydrophobicContact CG-CB 4.18Å; M185-P500 HydrophobicContact SD-CB 3.72Å; M185-P500 HydrophobicContact SD-CG 3.68Å; R188-P500 VanDerWaalsContact NH2-CD 3.32Å; N497-P500 HydrophobicContact CB-CG 4.01Å; N497-P500 WeakPolarHBondContact O-CD 3.42Å; N497-P500 WeakPolarHBondContact O-CG 3.29Å; P500-G502 PolarHBondContact O-N 3.01Å; P500-C503 WeakPolarHBondContact O-CB 3.15Å; P500-C503 PolarHBondContact O-N 3.01Å; P500-C503 PolarHBondContact O-SG 2.94Å
501	P	97.4	Very high	97.9	Very high	53 Å²	53	53.6 Å²	53.6	34%	0.344	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	135	174.5	-25.6	34.5	0	0	0	111.6	S183 E184 M185	S183-P501 WeakPolarHBondContact O-CB 3.36Å; E184-P501 CarbonylContact C-O 3.59Å; E184-P501 WeakPolarHBondContact CA-O 3.26Å; M185-P501 WeakPolarHBondContact CG-O 3.47Å; M185-P501 PolarHBondContact N-O 3.17Å
502	G	97.4	Very high	97.9	Very high	13 Å²	13	56.2 Å²	56.2	13%	0.134	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-15.6	-174.1	0	0	0	0	0	115.1	P500 E504 K505 L506	P500-G502 PolarHBondContact O-N 3.01Å; G502-E504 PolarHBondContact O-N 3.03Å; G502-K505 PolarHBondContact O-N 2.87Å; G502-L506 PolarHBondContact O-N 2.99Å
503	C	98.1	Very high	97.8	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.034	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-31.6	-179.3	71.9	0	0	0	0	113.4	M185 S499 P500 L506 G507 K508 C509	M185-C503 HydrophobicContact CG-CB 4.48Å; M185-C503 HydrophobicContact SD-CB 3.61Å; S499-C503 VanDerWaalsContact CA-SG 3.59Å; P500-C503 WeakPolarHBondContact O-CB 3.15Å; P500-C503 PolarHBondContact O-N 3.01Å; P500-C503 PolarHBondContact O-SG 2.94Å; C503-L506 CarbonylContact O-C 3.6Å; C503-L506 PolarHBondContact O-N 2.76Å; C503-G507 PolarHBondContact O-N 3.38Å; C503-K508 PolarHBondContact O-N 3.49Å; C503-C509 HydrophobicContact CB-CB 4.05Å; C503-C509 WeakPolarHBondContact CB-SG 3.46Å; C503-C509 WeakPolarHBondContact SG-CA 3.47Å; C503-C509 WeakPolarHBondContact SG-CB 3.47Å; C503-C509 CovalentContact SG-SG 2.05Å; C503-C509 PolarHBondContact SG-SG 2.85Å
504	E	97.9	Very high	97.7	Very high	171 Å²	171	61.6 Å²	61.6	80%	0.799	35%	0.353	S	S	*	.	H	α-helix	trans	-66.3	-44.5	-177.5	-66.5	-178.8	171.7	0	0	110.9	G502 L506 G507 C509	G502-E504 PolarHBondContact O-N 3.03Å; E504-L506 PolarHBondContact O-N 3.41Å; E504-G507 PolarHBondContact O-N 3.32Å; E504-G507 VanDerWaalsContact O-N 3.13Å; E504-C509 VanDerWaalsContact CA-SG 3.52Å; E504-C509 WeakPolarHBondContact CG-SG 3.47Å; E504-C509 PolarHBondContact N-SG 2.87Å
505	K	97.3	Very high	97.6	Very high	155 Å²	155	61.8 Å²	61.8	67%	0.674	35%	0.352	S	S	*	.	H	α-helix	trans	-63	-33.1	177.3	-61.5	179.2	-170.6	166	0	111.8	E184 G502	E184-K505 IonicContact OE1-NZ 2.68Å; E184-K505 PolarHBondContact OE1-NZ 3.23Å; E184-K505 IonicContact OE2-NZ 3.58Å; E184-K505 PolarHBondContact OE2-NZ 3.47Å; G502-K505 PolarHBondContact O-N 2.87Å
506	L	97.6	Very high	97.4	Very high	74 Å²	74	63.9 Å²	63.9	39%	0.387	37%	0.373	S	S	.	.	H	α-helix	trans	-86	-9.5	178.5	-61.3	178.6	0	0	0	113.6	M185 G502 C503 E504 K508	M185-L506 HydrophobicContact CE-CD1 4.38Å; M185-L506 HydrophobicContact CG-CD1 4.14Å; M185-L506 WeakPolarHBondContact O-CD1 3.47Å; G502-L506 PolarHBondContact O-N 2.99Å; C503-L506 CarbonylContact O-C 3.6Å; C503-L506 PolarHBondContact O-N 2.76Å; E504-L506 PolarHBondContact O-N 3.41Å; L506-K508 VanDerWaalsContact C-N 3.28Å; L506-K508 HydrophobicContact CB-CB 4.17Å; L506-K508 HydrophobicContact CB-CD 4.04Å; L506-K508 HydrophobicContact CB-CG 4.04Å; L506-K508 HydrophobicContact CD1-CD 4.3Å; L506-K508 PolarHBondContact O-N 3.35Å
507	G	97.8	Very high	97.4	Very high	70 Å²	70	67 Å²	67	72%	0.722	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	30.8	-170.8	0	0	0	0	0	113.6	C503 E504	C503-G507 PolarHBondContact O-N 3.38Å; E504-G507 PolarHBondContact O-N 3.32Å; E504-G507 VanDerWaalsContact O-N 3.13Å
508	K	97.6	Very high	97.4	Very high	47 Å²	47	71.2 Å²	71.2	20%	0.204	41%	0.409	C	S	.	.			trans	-117.1	15.3	-172.8	-73.3	-178.5	179	-89	0	114.4	M185 R188 E191 D192 C503 L506	M185-K508 HydrophobicContact CE-CD 4.47Å; R188-K508 PolarHBondContact NH2-O 3.49Å; E191-K508 IonicContact OE2-NZ 3.52Å; E191-K508 PolarHBondContact OE2-NZ 2.83Å; D192-K508 VanDerWaalsContact CG-NZ 3.26Å; D192-K508 WeakPolarHBondContact OD1-CE 3.17Å; D192-K508 IonicContact OD1-NZ 3.07Å; D192-K508 PolarHBondContact OD1-NZ 3.45Å; D192-K508 WeakPolarHBondContact OD2-CE 3.38Å; D192-K508 IonicContact OD2-NZ 3.55Å; D192-K508 PolarHBondContact OD2-NZ 2.8Å; C503-K508 PolarHBondContact O-N 3.49Å; L506-K508 VanDerWaalsContact C-N 3.28Å; L506-K508 HydrophobicContact CB-CB 4.17Å; L506-K508 HydrophobicContact CB-CD 4.04Å; L506-K508 HydrophobicContact CB-CG 4.04Å; L506-K508 HydrophobicContact CD1-CD 4.3Å; L506-K508 PolarHBondContact O-N 3.35Å
509	C	98.1	Very high	97.4	Very high	51 Å²	51	77.9 Å²	77.9	35%	0.345	44%	0.438	S	S	.	.			trans	-72.1	133.4	174.1	-54.7	0	0	0	0	110.3	C503 E504	C503-C509 HydrophobicContact CB-CB 4.05Å; C503-C509 WeakPolarHBondContact CB-SG 3.46Å; C503-C509 WeakPolarHBondContact SG-CA 3.47Å; C503-C509 WeakPolarHBondContact SG-CB 3.47Å; C503-C509 CovalentContact SG-SG 2.05Å; C503-C509 PolarHBondContact SG-SG 2.85Å; E504-C509 VanDerWaalsContact CA-SG 3.52Å; E504-C509 WeakPolarHBondContact CG-SG 3.47Å; E504-C509 PolarHBondContact N-SG 2.87Å
510	L	97.9	Very high	97.4	Very high	45 Å²	45	74.9 Å²	74.9	24%	0.236	42%	0.417	C	S	.	.			trans	-111.2	145.7	176.3	-59.3	170.4	0	0	0	109.1	P175 W498 S499 P512	P175-L510 HydrophobicContact CB-CD1 3.76Å; W498-L510 HydrophobicContact CB-CB 4.46Å; W498-L510 HydrophobicContact CE3-CB 3.84Å; W498-L510 HydrophobicContact CE3-CD1 4.39Å; W498-L510 WeakPolarHBondContact O-CB 3.37Å; W498-L510 PolarHBondContact O-N 3.11Å; S499-L510 PolarHBondContact OG-O 2.89Å; L510-P512 WeakPolarHBondContact O-CD 3.32Å
511	K	96.9	Very high	97.3	Very high	188 Å²	188	81.1 Å²	81.1	82%	0.817	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-74.5	121.6	177.3	-173.9	-180	179.1	-178.2	0	109.3
512	P	97.1	Very high	97.3	Very high	60 Å²	60	79.7 Å²	79.7	39%	0.39	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-67.4	148.4	175	28.5	-34	0	0	0	110.8	W498 L510	W498-P512 HydrophobicContact CB-CB 4.11Å; W498-P512 HydrophobicContact CD2-CB 4.47Å; W498-P512 HydrophobicContact CG-CB 3.82Å; L510-P512 WeakPolarHBondContact O-CD 3.32Å
513	P	96.6	Very high	96.7	Very high	48 Å²	48	81.8 Å²	81.8	31%	0.312	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-69.8	160.7	170.1	32.1	-35.1	0	0	0	110.3	L493 W498	L493-P513 HydrophobicContact CB-CG 3.96Å; W498-P513 HydrophobicContact CZ2-CG 3.88Å
514	T	95.5	Very high	95.7	Very high	152 Å²	152	83 Å²	83	93%	0.933	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-77.8	123.5	164.5	-53.6	0	0	0	0	108.6
515	S	96.2	Very high	95.6	Very high	39 Å²	39	78.6 Å²	78.6	27%	0.273	44%	0.437	S	S	.	.			trans	-148.7	167.4	175.1	51.3	0	0	0	0	111	D492 A494	D492-S515 WeakPolarHBondContact OD1-CB 3.23Å; D492-S515 PolarHBondContact OD1-OG 2.87Å; A494-S515 VanDerWaalsContact CB-OG 3.23Å; A494-S515 WeakPolarHBondContact CB-OG 3.36Å; A494-S515 PolarHBondContact N-OG 2.87Å
516	A	95.8	Very high	95.5	Very high	72 Å²	72	74.6 Å²	74.6	60%	0.595	43%	0.425	S	S	*	.			trans	-121.8	145.4	171.8	0	0	0	0	0	108.8
517	P	97.5	Very high	95.4	Very high	76 Å²	76	74.6 Å²	74.6	49%	0.494	43%	0.427	S	S	.	.			trans	-57	138.9	177.4	-26	33.5	0	0	0	113	M490 C491 D492	M490-P517 HydrophobicContact CE-CB 3.91Å; C491-P517 CarbonylContact O-C 3.52Å; C491-P517 VanDerWaalsContact O-CA 3.28Å; C491-P517 WeakPolarHBondContact O-CA 3.49Å; D492-P517 HydrophobicContact CB-CB 4.46Å; D492-P517 HydrophobicContact CB-CG 4.33Å
518	W	98.4	Very high	95.3	Very high	96 Å²	96	74.9 Å²	74.9	36%	0.364	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	166.5	174.6	72	101.2	0	0	0	111	E111 M490 C491 L493 C520	E111-W518 HydrophobicContact CB-CH2 4.34Å; E111-W518 HydrophobicContact CB-CZ2 4.49Å; M490-W518 CarbonylContact C-O 3.59Å; M490-W518 WeakPolarHBondContact CA-O 3.43Å; M490-W518 WeakPolarHBondContact CE-O 3.26Å; C491-W518 HydrophobicContact CB-CD2 4.13Å; C491-W518 HydrophobicContact CB-CH2 4.08Å; C491-W518 HydrophobicContact CB-CZ2 3.47Å; C491-W518 VanDerWaalsContact CB-CZ2 3.47Å; C491-W518 PolarHBondContact N-O 3.25Å; C491-W518 PolarHBondContact O-N 2.04Å; L493-W518 HydrophobicContact CB-CH2 4.33Å; L493-W518 HydrophobicContact CB-CZ3 4.37Å; L493-W518 HydrophobicContact CD2-CH2 3.73Å; L493-W518 HydrophobicContact CD2-CZ3 4.46Å; L493-W518 HydrophobicContact CG-CH2 3.58Å; L493-W518 HydrophobicContact CG-CZ3 3.82Å; L493-W518 VanDerWaalsContact N-CH2 3.32Å; W518-C520 PolarHBondContact O-N 3.23Å
519	K	98.2	Very high	95.1	Very high	147 Å²	147	76.6 Å²	76.6	64%	0.639	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	121.1	171.3	-73.2	-173.2	179.3	-174.4	0	109.9	N489 M490 N521	N489-K519 CarbonylContact O-C 3.55Å; N489-K519 VanDerWaalsContact O-CA 3.29Å; N489-K519 WeakPolarHBondContact O-CA 3.41Å; M490-K519 HydrophobicContact SD-CG 4.18Å; K519-N521 PolarHBondContact O-N 2.96Å
520	C	98	Very high	94.9	Very high	5 Å²	5	78.3 Å²	78.3	3%	0.034	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-53.1	140.3	174	-57.7	0	0	0	0	111	N100 N489 M490 C491 W518 W522	N100-C520 PolarHBondContact ND2-N 3.03Å; N100-C520 PolarHBondContact ND2-O 3.47Å; N489-C520 PolarHBondContact O-N 3.26Å; M490-C520 PolarHBondContact O-SG 3.24Å; C491-C520 VanDerWaalsContact CA-SG 3.59Å; C491-C520 HydrophobicContact CB-CB 4.12Å; C491-C520 WeakPolarHBondContact CB-SG 3.47Å; C491-C520 PolarHBondContact N-SG 2.74Å; C491-C520 WeakPolarHBondContact SG-CB 3.42Å; C491-C520 CovalentContact SG-SG 2.04Å; C491-C520 PolarHBondContact SG-SG 3.4Å; W518-C520 PolarHBondContact O-N 3.23Å; C520-W522 HydrophobicContact CB-CD2 4.38Å; C520-W522 HydrophobicContact CB-CZ2 3.78Å
521	N	96.4	Very high	94.7	Very high	137 Å²	137	80.7 Å²	80.7	73%	0.733	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-93	117	172.8	-174.5	16.3	0	0	0	109.2	K519	K519-N521 PolarHBondContact O-N 2.96Å
522	W	96.4	Very high	94.5	Very high	22 Å²	22	72.5 Å²	72.5	8%	0.083	41%	0.413	C	S	.	.			trans	-115.5	104	-178.7	-62.6	120.5	0	0	0	108.8	T98 R104 A106 Y107 P109 I112 L488 C520	T98-W522 HydrophobicContact CG2-CG 4.23Å; R104-W522 HydrophobicContact CB-CB 3.98Å; R104-W522 WeakPolarHBondContact CD-O 3.43Å; R104-W522 HydrophobicContact CG-CB 4.4Å; R104-W522 PolarHBondContact NH1-O 3.09Å; A106-W522 HydrophobicContact CB-CD2 3.81Å; A106-W522 HydrophobicContact CB-CE3 4.3Å; A106-W522 HydrophobicContact CB-CG 4.18Å; A106-W522 HydrophobicContact CB-CH2 4.38Å; A106-W522 HydrophobicContact CB-CZ2 3.89Å; Y107-W522 HydrophobicContact CD1-CH2 4.14Å; Y107-W522 AromaticContact CD1-CZ3 3.64Å; Y107-W522 HydrophobicContact CD1-CZ3 3.64Å; Y107-W522 HydrophobicContact CE1-CH2 4.35Å; Y107-W522 AromaticContact CE1-CZ3 3.64Å; Y107-W522 HydrophobicContact CE1-CZ3 3.64Å; Y107-W522 HydrophobicContact CG-CZ3 4.45Å; Y107-W522 WeakPolarHBondContact O-CH2 3.48Å; P109-W522 HydrophobicContact CG-CH2 3.87Å; I112-W522 HydrophobicContact CD1-CZ2 4.28Å; L488-W522 PolarHBondContact O-NE1 2.9Å; C520-W522 HydrophobicContact CB-CD2 4.38Å; C520-W522 HydrophobicContact CB-CZ2 3.78Å
523	P	84.7	Confident	94.3	Very high	58 Å²	58	73.5 Å²	73.5	38%	0.377	41%	0.414	S	S	.	.			trans	-74.8	-37.7	-170.2	26.9	-32	0	0	0	113.6	R104	R104-P523 PolarHBondContact NH1-O 2.97Å
524	H	78.3	Confident	94.1	Very high	30 Å²	30	75.8 Å²	75.8	14%	0.139	42%	0.424	C	S	.	.			trans	-116.2	0	176.5	47.4	-94.9	0	0	0	112	R104 N105 E311 R388 W407 E413 F420	R104-H524 CarbonylContact C-O 3.59Å; R104-H524 WeakPolarHBondContact CA-O 3.3Å; N105-H524 VanDerWaalsContact N-C 3.33Å; N105-H524 PolarHBondContact N-O 3.23Å; N105-H524 PolarHBondContact N-OXT 2.95Å; N105-H524 VanDerWaalsContact N-OXT 3.16Å; E311-H524 VanDerWaalsContact CD-CD2 3.44Å; E311-H524 IonicContact OE1-NE2 3.94Å; E311-H524 IonicContact OE2-CD2 2.6Å; E311-H524 PolarHBondContact OE2-CD2 3.14Å; E311-H524 IonicContact OE2-NE2 3.66Å; E311-H524 PolarHBondContact OE2-NE2 3.13Å; R388-H524 VanDerWaalsContact CZ-OXT 3.22Å; R388-H524 PolarHBondContact NE-OXT 3.36Å; R388-H524 PolarHBondContact NH2-OXT 3.16Å; W407-H524 HydrophobicContact CH2-CB 4.43Å; W407-H524 WeakPolarHBondContact CH2-OXT 3.42Å; W407-H524 WeakPolarHBondContact CZ3-OXT 3.22Å; E413-H524 IonicContact OE1-CG 2.77Å; E413-H524 IonicContact OE1-ND1 3.71Å; E413-H524 PolarHBondContact OE1-ND1 3.39Å; F420-H524 HydrophobicContact CE2-CB 3.9Å; F420-H524 HydrophobicContact CZ-CB 3.93Å; F420-H524 AromaticContact CZ-CG 3.72Å; F420-H524 AromaticContact CZ-ND1 3.87Å

Retrieved 524 of 524 residues in 264.2 ms (Link to these results)

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