A0A5K4ERM4_SCHMA Loading...

Neutral ceramidase

AlphaFold DB , UniProt , Accession A0A5K4ERM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 604 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	36.7	Very low	42.2	Very low	240 Å²	240	159 Å²	159	100%	1.182	85%	0.847	S	S	*	*				0	102.9	0	-160.8	162.3	86.2	0	0	107.5
2	V	41.5	Very low	42.5	Very low	142 Å²	142	153.2 Å²	153.2	86%	0.861	83%	0.828	S	S	*	*			trans	52.1	100.9	167.8	-162.6	0	0	0	0	119
3	I	41.4	Very low	42.7	Very low	157 Å²	157	152.8 Å²	152.8	81%	0.805	82%	0.815	S	S	*	*			trans	-83.6	138.2	173.4	-74	161.8	0	0	0	111
4	C	40.9	Very low	43	Very low	122 Å²	122	151 Å²	151	82%	0.824	80%	0.803	S	S	*	*			trans	33.5	109.2	154.3	-68.3	0	0	0	0	121.2
5	K	41.1	Very low	43	Very low	207 Å²	207	146.7 Å²	146.7	90%	0.9	79%	0.79	S	S	*	*			trans	-80.1	118.4	144.5	-79.8	177.7	172.1	179.7	0	109
6	S	42.3	Very low	43.2	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	78%	0.775	S	S	*	*			trans	-175.4	87	150.7	-82.5	0	0	0	0	109.5
7	F	39.7	Very low	42.9	Very low	213 Å²	213	145.2 Å²	145.2	93%	0.934	77%	0.771	S	S	*	*			trans	-134.8	81.5	168.9	-113	-89.5	0	0	0	107.1
8	S	42.7	Very low	42.7	Very low	116 Å²	116	148.7 Å²	148.7	81%	0.811	77%	0.772	S	S	*	*	S	Bend	trans	-162.3	27.5	172.3	-168.3	0	0	0	0	114.5
9	I	47.2	Very low	42.3	Very low	130 Å²	130	145.5 Å²	145.5	67%	0.667	76%	0.763	S	S	*	*	S	Bend	trans	-129.9	-7.9	-179.6	-61.5	179.7	0	0	0	113.7
10	Y	45.1	Very low	42	Very low	201 Å²	201	147.4 Å²	147.4	79%	0.788	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-3.8	-173.3	-80.7	-79.7	0	0	0	116.8
11	S	45.4	Very low	41.7	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-5	-178.6	-157.1	0	0	0	0	115.2
12	S	46	Very low	41.7	Very low	89 Å²	89	143.4 Å²	143.4	62%	0.622	74%	0.74	S	S	*	*	S	Bend	trans	-108.1	-4.8	-178.5	-58.6	0	0	0	0	114.2
13	F	44.4	Very low	41.6	Very low	149 Å²	149	141.1 Å²	141.1	65%	0.654	73%	0.73	S	S	*	*	S	Bend	trans	-94.2	-17	175.8	-94.5	-85.1	0	0	0	114
14	I	47.3	Very low	41.7	Very low	127 Å²	127	138.1 Å²	138.1	65%	0.651	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-21.2	-178.9	-68	170.1	0	0	0	112.1
15	S	43.8	Very low	42	Very low	87 Å²	87	140.3 Å²	140.3	61%	0.608	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-14.1	177.3	-48.5	0	0	0	0	114.2	S19	S15-S19 PolarHBondContact O-OG 3.1Å; S15-S19 VanDerWaalsContact O-OG 3.1Å
16	I	45.1	Very low	42.8	Very low	105 Å²	105	132 Å²	132	54%	0.538	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-17.6	177.8	-62.4	174.3	0	0	0	111.2
17	F	39.3	Very low	44.3	Very low	163 Å²	163	132.7 Å²	132.7	72%	0.715	68%	0.679	S	S	*	*	S	Bend	trans	-89.8	-7.9	177.6	-119	-92.4	0	0	0	114.6
18	W	38.1	Very low	46.6	Very low	208 Å²	208	123.2 Å²	123.2	79%	0.788	64%	0.641	S	S	*	*	S	Bend	trans	-104.3	-5.5	177.1	-101.9	63.7	0	0	0	114.3
19	S	35.6	Very low	49.2	Very low	87 Å²	87	117.8 Å²	117.8	61%	0.608	60%	0.603	S	S	*	*	S	Bend	trans	-99.1	1.1	177.6	30.7	0	0	0	0	113.8	S15	S15-S19 PolarHBondContact O-OG 3.1Å; S15-S19 VanDerWaalsContact O-OG 3.1Å
20	F	36.7	Very low	51.6	Low	184 Å²	184	113.1 Å²	113.1	81%	0.807	58%	0.579	S	S	*	*	S	Bend	trans	-107	3.3	172.9	-89.7	-83.4	0	0	0	114
21	L	34.7	Very low	54.2	Low	103 Å²	103	103.5 Å²	103.5	54%	0.539	54%	0.542	S	S	.	.	S	Bend	trans	-99.4	127.7	168.4	-71.1	155.9	0	0	0	106.3
22	F	37.8	Very low	56.7	Low	201 Å²	201	98.5 Å²	98.5	88%	0.882	51%	0.507	S	S	*	.	S	Bend	trans	88.2	55	179.3	-49.9	-76.3	0	0	0	117.6
23	S	38.3	Very low	59.2	Low	93 Å²	93	94.7 Å²	94.7	65%	0.65	48%	0.479	S	S	*	.				-146.9	106	127.2	-159.3	0	0	0	0	106.8	H25	S23-H25 PolarHBondContact O-N 3.41Å
24	P	43.9	Very low	61.8	Low	95 Å²	95	87.7 Å²	87.7	62%	0.617	45%	0.449	S	S	*	.			trans	-62.4	110.5	172.1	26.3	-28.7	0	0	0	105.9	I26	P24-I26 PolarHBondContact O-N 2.99Å
25	H	46.6	Very low	64.2	Low	168 Å²	168	82.3 Å²	82.3	78%	0.778	42%	0.422	S	S	*	.			trans	-63.3	94.6	163.3	-89.2	-66.8	0	0	0	106.1	S23 N27	S23-H25 PolarHBondContact O-N 3.41Å; H25-N27 PolarHBondContact O-N 3.39Å
26	I	59.6	Low	66.8	Low	31 Å²	31	81.3 Å²	81.3	16%	0.159	41%	0.407	C	S	.	.			trans	-67.2	101.6	171.1	-63.6	170.9	0	0	0	105.1	P24 G28 Y29 E73 G348	P24-I26 PolarHBondContact O-N 2.99Å; I26-G28 WeakPolarHBondContact CG2-O 3.21Å; I26-G28 PolarHBondContact O-N 3.29Å; I26-Y29 HydrophobicContact CG2-CD1 4.28Å; I26-Y29 HydrophobicContact CG2-CE1 4.09Å; I26-E73 HydrophobicContact CD1-CB 4.43Å; I26-E73 HydrophobicContact CD1-CG 4.12Å; I26-G348 WeakPolarHBondContact CD1-O 3.27Å
27	N	71.9	Confident	69.4	Low	132 Å²	132	78.7 Å²	78.7	71%	0.706	39%	0.394	S	S	*	.			trans	-78.9	6.4	179.8	-85.6	-22.9	0	0	0	112.9	H25 M217	H25-N27 PolarHBondContact O-N 3.39Å; N27-M217 VanDerWaalsContact O-CE 3.27Å; N27-M217 WeakPolarHBondContact O-CE 2.95Å
28	G	89.4	Confident	72.2	Confident	14 Å²	14	71.2 Å²	71.2	14%	0.144	36%	0.362	C	S	.	.			trans	160.3	167.9	179.8	0	0	0	0	0	111	I26 G169	I26-G28 WeakPolarHBondContact CG2-O 3.21Å; I26-G28 PolarHBondContact O-N 3.29Å; G28-G169 CarbonylContact C-O 3.5Å; G28-G169 VanDerWaalsContact CA-O 3.26Å; G28-G169 WeakPolarHBondContact CA-O 3.44Å
29	Y	97.2	Very high	75.1	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	156.7	174.7	-59.7	-76.9	0	0	0	110.3	I26 I71 Q72 E168 G169 I171 I346 N347 G348 V350 I454	I26-Y29 HydrophobicContact CG2-CD1 4.28Å; I26-Y29 HydrophobicContact CG2-CE1 4.09Å; Y29-I71 HydrophobicContact CD1-CG2 4.17Å; Y29-I71 HydrophobicContact CG-CG2 4.16Å; Y29-Q72 CarbonylContact C-O 3.55Å; Y29-Q72 WeakPolarHBondContact CA-O 3.11Å; Y29-E168 CarbonylContact O-C 3.55Å; Y29-E168 VanDerWaalsContact O-CA 3.28Å; Y29-E168 WeakPolarHBondContact O-CA 3.47Å; Y29-G169 PolarHBondContact N-O 2.89Å; Y29-G169 PolarHBondContact O-N 2.76Å; Y29-I171 HydrophobicContact CD2-CD1 3.94Å; Y29-I171 HydrophobicContact CD2-CG1 4.02Å; Y29-I171 HydrophobicContact CE2-CD1 4.23Å; Y29-I171 HydrophobicContact CE2-CG1 4.42Å; Y29-I171 HydrophobicContact CG-CD1 4.49Å; Y29-I346 WeakPolarHBondContact CE2-O 3.35Å; Y29-N347 VanDerWaalsContact OH-C 3.27Å; Y29-N347 VanDerWaalsContact OH-CA 3.27Å; Y29-N347 WeakPolarHBondContact OH-CA 3.29Å; Y29-G348 WeakPolarHBondContact CE1-O 3.4Å; Y29-G348 PolarHBondContact OH-N 2.91Å; Y29-G348 PolarHBondContact OH-O 3.4Å; Y29-V350 HydrophobicContact CD1-CG2 3.92Å; Y29-V350 HydrophobicContact CE1-CG2 3.73Å; Y29-I454 HydrophobicContact CE1-CG2 4.26Å; Y29-I454 HydrophobicContact CE2-CG2 4.15Å
30	L	97.7	Very high	78.1	Confident	31 Å²	31	58.4 Å²	58.4	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.5	156.7	-64.1	175.9	0	0	0	108.1	I71 Q72 M166 E168	L30-I71 WeakPolarHBondContact O-CA 3.36Å; L30-Q72 HydrophobicContact CB-CB 4.2Å; L30-Q72 PolarHBondContact N-O 2.87Å; L30-Q72 PolarHBondContact O-N 3.27Å; L30-M166 HydrophobicContact CB-SD 4.36Å; L30-E168 HydrophobicContact CD2-CG 3.71Å
31	I	98.4	Very high	80.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.5	-174.9	-53.1	169.8	0	0	0	109.4	I70 M166 K167 I171 F214 I222	I31-I70 CarbonylContact C-O 3.4Å; I31-I70 VanDerWaalsContact CA-O 3.31Å; I31-I70 WeakPolarHBondContact CA-O 3.46Å; I31-M166 WeakPolarHBondContact O-CA 3.27Å; I31-K167 PolarHBondContact N-O 2.68Å; I31-K167 PolarHBondContact O-N 2.82Å; I31-I171 HydrophobicContact CD1-CD1 4.45Å; I31-I171 HydrophobicContact CD1-CG1 3.75Å; I31-F214 HydrophobicContact CD1-CD1 4.26Å; I31-F214 HydrophobicContact CG2-CB 4.03Å; I31-F214 HydrophobicContact CG2-CD1 3.58Å; I31-F214 HydrophobicContact CG2-CE1 4.41Å; I31-F214 HydrophobicContact CG2-CG 4.05Å; I31-I222 HydrophobicContact CB-CD1 4.11Å; I31-I222 HydrophobicContact CG2-CD1 3.84Å
32	G	98.5	Very high	83.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.3	177.4	0	0	0	0	0	111.7	F69 I70 A162	G32-F69 CarbonylContact O-C 3.57Å; G32-F69 WeakPolarHBondContact O-CA 3.47Å; G32-I70 PolarHBondContact N-O 3.26Å; G32-I70 PolarHBondContact O-N 3.2Å; G32-A162 WeakPolarHBondContact CA-O 3.48Å
33	V	98.8	Very high	86.7	Confident	8 Å²	8	42.3 Å²	42.3	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.4	175.1	-63	0	0	0	0	110.4	A68 F69 A162 N165 I222 V270	V33-A68 WeakPolarHBondContact CA-O 3.33Å; V33-F69 HydrophobicContact CG1-CD1 3.77Å; V33-F69 HydrophobicContact CG1-CE1 4.06Å; V33-A162 VanDerWaalsContact C-CA 3.46Å; V33-A162 WeakPolarHBondContact O-CA 3.2Å; V33-N165 PolarHBondContact O-ND2 3.38Å; V33-I222 HydrophobicContact CG1-CD1 4.43Å; V33-I222 HydrophobicContact CG1-CG1 4.36Å; V33-I222 HydrophobicContact CG2-CB 4.26Å; V33-I222 WeakPolarHBondContact CG2-O 3.27Å; V33-V270 HydrophobicContact CB-CB 4.16Å; V33-V270 HydrophobicContact CB-CG2 4Å; V33-V270 HydrophobicContact CG2-CG2 4.17Å
34	G	98.7	Very high	89.3	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.8	-178.3	0	0	0	0	0	111.9	R67 A68 S158	G34-R67 CarbonylContact O-C 3.07Å; G34-R67 WeakPolarHBondContact O-CA 3.25Å; G34-A68 PolarHBondContact N-O 3.23Å; G34-A68 PolarHBondContact O-N 3.16Å; G34-S158 WeakPolarHBondContact CA-O 3.46Å
35	I	98.8	Very high	91.8	Very high	15 Å²	15	39.5 Å²	39.5	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.8	177.3	-176.8	165.4	0	0	0	109.3	F65 S66 R67 L161 E255 V270	I35-F65 HydrophobicContact CD1-CB 4.03Å; I35-F65 HydrophobicContact CD1-CD1 4.13Å; I35-F65 HydrophobicContact CD1-CG 4.01Å; I35-F65 HydrophobicContact CG1-CB 4.01Å; I35-F65 HydrophobicContact CG1-CD1 4.05Å; I35-F65 HydrophobicContact CG1-CG 4.22Å; I35-S66 VanDerWaalsContact CA-O 3.31Å; I35-S66 WeakPolarHBondContact CA-O 3.4Å; I35-R67 HydrophobicContact CD1-CG 4.07Å; I35-R67 HydrophobicContact CG1-CG 4.13Å; I35-L161 VanDerWaalsContact O-CD1 3.26Å; I35-L161 WeakPolarHBondContact O-CD1 3.28Å; I35-E255 WeakPolarHBondContact CD1-OE1 3.42Å; I35-V270 HydrophobicContact CB-CG1 4.21Å; I35-V270 HydrophobicContact CB-CG2 4.01Å; I35-V270 HydrophobicContact CG2-CG2 4.03Å
36	H	98.7	Very high	94.1	Very high	65 Å²	65	31.8 Å²	31.8	30%	0.301	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.3	174.6	-159.5	-78.6	0	0	0	111.4	F65 S66 G154 N157	H36-F65 CarbonylContact O-C 3.41Å; H36-F65 WeakPolarHBondContact O-CA 3.39Å; H36-S66 PolarHBondContact N-O 3.04Å; H36-S66 PolarHBondContact O-N 2.84Å; H36-G154 WeakPolarHBondContact CB-O 3.37Å; H36-N157 HydrophobicContact CB-CB 4.31Å; H36-N157 VanDerWaalsContact CD2-CB 3.41Å; H36-N157 WeakPolarHBondContact CD2-CB 3.38Å; H36-N157 PolarHBondContact NE2-ND2 3.45Å
37	D	98.7	Very high	95.9	Very high	51 Å²	51	30.3 Å²	30.3	27%	0.273	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.3	174.5	-168.7	3.5	0	0	0	110.4	T39 R63 F65	D37-T39 WeakPolarHBondContact OD1-CB 3.29Å; D37-T39 PolarHBondContact OD1-N 3.02Å; D37-T39 PolarHBondContact OD1-OG1 3.09Å; D37-R63 IonicContact OD1-NH1 3.54Å; D37-R63 IonicContact OD2-CZ 2.77Å; D37-R63 IonicContact OD2-NE 3.56Å; D37-R63 IonicContact OD2-NH1 3.42Å; D37-R63 PolarHBondContact OD2-NH1 3.49Å; D37-F65 HydrophobicContact CB-CD1 4.42Å; D37-F65 HydrophobicContact CB-CE1 4.33Å
38	I	98.8	Very high	97.2	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	14%	0.14	C	C	.	.			trans	-127.4	10.9	174.5	56.8	169.5	0	0	0	111.6	G40 L64 F65 I85 L151	I38-G40 PolarHBondContact O-N 2.78Å; I38-L64 HydrophobicContact CD1-CB 4.32Å; I38-L64 VanDerWaalsContact CG1-C 3.46Å; I38-L64 HydrophobicContact CG1-CB 3.82Å; I38-L64 VanDerWaalsContact CG1-O 3.27Å; I38-L64 WeakPolarHBondContact CG1-O 3.34Å; I38-L64 PolarHBondContact N-O 3.31Å; I38-F65 WeakPolarHBondContact CD1-O 3.36Å; I38-I85 HydrophobicContact CD1-CB 3.83Å; I38-I85 HydrophobicContact CD1-CG2 4.3Å; I38-L151 HydrophobicContact CB-CD1 4.02Å; I38-L151 HydrophobicContact CD1-CD1 3.77Å; I38-L151 HydrophobicContact CG1-CD1 4.43Å; I38-L151 HydrophobicContact CG2-CD1 4.24Å
39	T	98.6	Very high	97.5	Very high	12 Å²	12	24.9 Å²	24.9	7%	0.074	14%	0.142	C	C	.	.			trans	-63.4	118.2	-178	-49	0	0	0	0	109.7	D37 I42 L60 R63 L64 V242	D37-T39 WeakPolarHBondContact OD1-CB 3.29Å; D37-T39 PolarHBondContact OD1-N 3.02Å; D37-T39 PolarHBondContact OD1-OG1 3.09Å; T39-I42 HydrophobicContact CG2-CG2 3.96Å; T39-L60 HydrophobicContact CG2-CD1 4.26Å; T39-R63 WeakPolarHBondContact OG1-CD 3.45Å; T39-L64 PolarHBondContact OG1-N 2.87Å; T39-L64 PolarHBondContact OG1-O 3.08Å; T39-V242 HydrophobicContact CG2-CG1 4.15Å
40	G	97.6	Very high	97.5	Very high	14 Å²	14	26.4 Å²	26.4	14%	0.144	15%	0.148	C	C	.	.			trans	-77.9	-153.1	172.9	0	0	0	0	0	112.6	I38	I38-G40 PolarHBondContact O-N 2.78Å
41	P	96.9	Very high	97.2	Very high	28 Å²	28	27.1 Å²	27.1	18%	0.182	16%	0.163	C	C	.	.			trans	-57.6	151.7	171.4	24	-32	0	0	0	111	I45 D57 P127 V144 E146 T147	P41-I45 HydrophobicContact CB-CG1 3.84Å; P41-I45 HydrophobicContact CG-CB 4.12Å; P41-I45 HydrophobicContact CG-CG1 3.47Å; P41-I45 VanDerWaalsContact CG-CG1 3.47Å; P41-I45 HydrophobicContact CG-CG2 4.44Å; P41-D57 VanDerWaalsContact O-OD2 3.08Å; P41-P127 HydrophobicContact CG-CB 4.24Å; P41-V144 HydrophobicContact CG-CG1 4.4Å; P41-E146 WeakPolarHBondContact CD-O 3.44Å; P41-E146 HydrophobicContact CG-CB 4.45Å; P41-T147 WeakPolarHBondContact CD-OG1 3Å
42	I	97.1	Very high	96.9	Very high	57 Å²	57	29.3 Å²	29.3	29%	0.292	18%	0.175	S	C	.	.	S	Bend	trans	-120.8	8.7	179.3	63.2	166.3	0	0	0	111.9	T39 D57 N58 G59 L60 V242	T39-I42 HydrophobicContact CG2-CG2 3.96Å; I42-D57 WeakPolarHBondContact CA-OD2 3.42Å; I42-N58 CarbonylContact O-C 3.41Å; I42-N58 PolarHBondContact O-N 2.89Å; I42-G59 WeakPolarHBondContact O-CA 3.32Å; I42-G59 PolarHBondContact O-N 3.47Å; I42-L60 HydrophobicContact CD1-CB 4.03Å; I42-L60 HydrophobicContact CG2-CB 4.3Å; I42-L60 HydrophobicContact CG2-CD1 4.14Å; I42-V242 HydrophobicContact CB-CG2 4.21Å; I42-V242 HydrophobicContact CG2-CB 4.17Å; I42-V242 HydrophobicContact CG2-CG2 4.02Å
43	T	95.5	Very high	96.4	Very high	64 Å²	64	36.3 Å²	36.3	39%	0.393	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.4	179.3	55.9	0	0	0	0	110.5	I45 D57	T43-I45 PolarHBondContact O-N 3.28Å; T43-D57 WeakPolarHBondContact CA-O 3.25Å; T43-D57 WeakPolarHBondContact CA-OD1 3.41Å; T43-D57 PolarHBondContact N-OD1 2.88Å; T43-D57 VanDerWaalsContact N-OD1 3.1Å
44	D	93.7	Very high	96.1	Very high	117 Å²	117	44.8 Å²	44.8	63%	0.626	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	66.3	9	171.8	-58.4	-45.9	0	0	0	116.3	D57	D44-D57 PolarHBondContact N-O 3.15Å; D44-D57 PolarHBondContact N-OD1 3.15Å
45	I	95.8	Very high	95.9	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.1	177.9	-59.3	-56.9	0	0	0	110.6	P41 T43 N56 D57 P127 V144 V572	P41-I45 HydrophobicContact CB-CG1 3.84Å; P41-I45 HydrophobicContact CG-CB 4.12Å; P41-I45 HydrophobicContact CG-CG1 3.47Å; P41-I45 VanDerWaalsContact CG-CG1 3.47Å; P41-I45 HydrophobicContact CG-CG2 4.44Å; T43-I45 PolarHBondContact O-N 3.28Å; I45-N56 WeakPolarHBondContact O-CA 3.36Å; I45-D57 PolarHBondContact N-OD1 3.38Å; I45-D57 VanDerWaalsContact O-CG 3.27Å; I45-D57 PolarHBondContact O-N 3.33Å; I45-P127 HydrophobicContact CG2-CB 4Å; I45-V144 HydrophobicContact CD1-CG1 3.99Å; I45-V144 HydrophobicContact CD1-CG2 4.22Å; I45-V144 HydrophobicContact CG1-CG1 4.38Å; I45-V144 HydrophobicContact CG2-CG2 4.43Å; I45-V572 HydrophobicContact CD1-CG1 3.57Å; I45-V572 HydrophobicContact CD1-CG2 4.35Å
46	N	96.3	Very high	95.8	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.032	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	139.9	175.6	-164.5	-104.5	0	0	0	110.8	N52 Q55 N56 A128 T139	N46-N52 PolarHBondContact ND2-O 3.01Å; N46-Q55 WeakPolarHBondContact CA-O 3.32Å; N46-Q55 PolarHBondContact ND2-O 3.25Å; N46-N56 WeakPolarHBondContact CA-OD1 3.44Å; N46-N56 PolarHBondContact ND2-OD1 3.45Å; N46-N56 VanDerWaalsContact ND2-OD1 3.13Å; N46-A128 WeakPolarHBondContact O-CB 3.39Å; N46-A128 PolarHBondContact O-N 2.88Å; N46-T139 WeakPolarHBondContact CB-O 3.35Å; N46-T139 VanDerWaalsContact CG-O 3.24Å; N46-T139 WeakPolarHBondContact OD1-CB 3.15Å; N46-T139 PolarHBondContact OD1-O 3.4Å; N46-T139 PolarHBondContact OD1-OG1 3.34Å
47	M	97.7	Very high	95.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.8	179.1	-55.6	-178.4	91	0	0	111.1	Q55 D57 S125 G126 N239 L241	M47-Q55 HydrophobicContact CB-CG 4.13Å; M47-Q55 HydrophobicContact CG-CG 4.13Å; M47-Q55 WeakPolarHBondContact CG-O 3.46Å; M47-Q55 PolarHBondContact N-O 2.92Å; M47-Q55 HydrophobicContact SD-CG 3.77Å; M47-D57 HydrophobicContact CG-CB 4.26Å; M47-S125 VanDerWaalsContact CE-C 3.41Å; M47-S125 VanDerWaalsContact CE-O 3.26Å; M47-S125 WeakPolarHBondContact CE-O 3.22Å; M47-G126 CarbonylContact C-O 3.57Å; M47-G126 WeakPolarHBondContact CA-O 3.32Å; M47-N239 VanDerWaalsContact SD-O 3.41Å; M47-L241 WeakPolarHBondContact CE-O 3.45Å
48	M	97.8	Very high	95.6	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.2	179.8	-169.3	67.9	-105.4	0	0	110.8	M89 H124 G126 A128 Y130 L131	M48-M89 HydrophobicContact CE-CE 4.26Å; M48-M89 HydrophobicContact CE-SD 4.29Å; M48-M89 HydrophobicContact CG-SD 3.58Å; M48-M89 VanDerWaalsContact CG-SD 3.58Å; M48-M89 HydrophobicContact SD-SD 4.17Å; M48-H124 CarbonylContact O-C 3.59Å; M48-H124 VanDerWaalsContact O-CA 3.26Å; M48-H124 WeakPolarHBondContact O-CA 3.23Å; M48-G126 PolarHBondContact N-O 2.93Å; M48-A128 HydrophobicContact CB-CB 3.8Å; M48-A128 HydrophobicContact CG-CB 4.45Å; M48-A128 HydrophobicContact SD-CB 3.99Å; M48-Y130 HydrophobicContact CB-CE1 4.32Å; M48-Y130 HydrophobicContact CG-CE1 4.29Å; M48-L131 HydrophobicContact SD-CD1 3.69Å
49	G	96.9	Very high	95.6	Very high	19 Å²	19	47.2 Å²	47.2	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	140.6	-71.6	170.8	0	0	0	0	0	112.3	G51 H124	G49-G51 PolarHBondContact O-N 2.83Å; G49-G51 VanDerWaalsContact O-N 3.14Å; G49-H124 VanDerWaalsContact CA-CD2 3.41Å; G49-H124 WeakPolarHBondContact CA-CD2 3.25Å
50	Y	96.2	Very high	95.5	Very high	35 Å²	35	49.7 Å²	49.7	14%	0.137	28%	0.276	C	S	.	.	S	Bend	trans	-69.7	-11.4	-172.7	-67.8	-68.4	0	0	0	115.6	N52 Q55 H124 V233 M235 N236 F237 D388	Y50-N52 PolarHBondContact O-N 3.4Å; Y50-Q55 VanDerWaalsContact CD2-OE1 3.32Å; Y50-H124 AromaticContact CD1-CD2 3.88Å; Y50-H124 HydrophobicContact CD2-CB 3.77Å; Y50-H124 AromaticContact CE1-CD2 3.9Å; Y50-H124 HydrophobicContact CE2-CB 3.4Å; Y50-H124 VanDerWaalsContact CE2-CB 3.4Å; Y50-H124 HydrophobicContact CG-CB 4.48Å; Y50-V233 HydrophobicContact CE1-CB 4.45Å; Y50-V233 HydrophobicContact CE1-CG1 4.36Å; Y50-V233 WeakPolarHBondContact OH-CA 3.27Å; Y50-V233 VanDerWaalsContact OH-CB 3.32Å; Y50-V233 WeakPolarHBondContact OH-CB 3.41Å; Y50-V233 PolarHBondContact OH-O 3.22Å; Y50-M235 WeakPolarHBondContact CE2-O 3.38Å; Y50-M235 PolarHBondContact OH-O 2.86Å; Y50-N236 VanDerWaalsContact CE2-C 3.48Å; Y50-N236 VanDerWaalsContact OH-CA 3.28Å; Y50-N236 WeakPolarHBondContact OH-CA 3.26Å; Y50-F237 HydrophobicContact CD1-CB 3.8Å; Y50-F237 HydrophobicContact CD2-CB 3.71Å; Y50-F237 HydrophobicContact CE1-CB 4.28Å; Y50-F237 HydrophobicContact CE2-CB 4.18Å; Y50-F237 HydrophobicContact CG-CB 3.49Å; Y50-F237 VanDerWaalsContact CG-CB 3.49Å; Y50-D388 WeakPolarHBondContact CE1-O 3.48Å
51	G	92.3	Very high	95.6	Very high	46 Å²	46	52.1 Å²	52.1	47%	0.474	28%	0.283	S	S	.	.			trans	64.6	24.3	-179	0	0	0	0	0	113.5	G49	G49-G51 PolarHBondContact O-N 2.83Å; G49-G51 VanDerWaalsContact O-N 3.14Å
52	N	91.9	Very high	95.7	Very high	46 Å²	46	51.7 Å²	51.7	25%	0.246	28%	0.279	C	S	.	.			trans	-99.2	113.2	-177.5	-171.9	-25.9	0	0	0	111.1	N46 Y50 K54 Q55 F237	N46-N52 PolarHBondContact ND2-O 3.01Å; Y50-N52 PolarHBondContact O-N 3.4Å; N52-K54 PolarHBondContact O-N 3.03Å; N52-K54 WeakPolarHBondContact OD1-CB 3.49Å; N52-K54 PolarHBondContact OD1-N 3.29Å; N52-Q55 HydrophobicContact CB-CB 4.12Å; N52-Q55 WeakPolarHBondContact O-CB 3.47Å; N52-Q55 PolarHBondContact O-N 3.18Å; N52-F237 WeakPolarHBondContact ND2-CD2 3.48Å
53	M	88.1	Confident	95.7	Very high	146 Å²	146	53.8 Å²	53.8	72%	0.719	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.6	179.4	-65.4	-171.9	-66.9	0	0	114.5	T139	M53-T139 HydrophobicContact CG-CG2 4.24Å
54	K	91.9	Very high	95.9	Very high	186 Å²	186	51.1 Å²	51.1	81%	0.809	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8.4	178.3	-61.2	178.4	-178.5	170.9	0	113.2	N52 N56	N52-K54 PolarHBondContact O-N 3.03Å; N52-K54 WeakPolarHBondContact OD1-CB 3.49Å; N52-K54 PolarHBondContact OD1-N 3.29Å; K54-N56 VanDerWaalsContact C-N 3.32Å; K54-N56 PolarHBondContact O-N 2.75Å; K54-N56 VanDerWaalsContact O-N 3.11Å
55	Q	95	Very high	96.1	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.014	24%	0.239	C	C	.	.			trans	-88.2	70.7	-176.3	-164.6	-169.5	13.7	0	0	110.9	N46 M47 Y50 N52 F237 N239	N46-Q55 WeakPolarHBondContact CA-O 3.32Å; N46-Q55 PolarHBondContact ND2-O 3.25Å; M47-Q55 HydrophobicContact CB-CG 4.13Å; M47-Q55 HydrophobicContact CG-CG 4.13Å; M47-Q55 WeakPolarHBondContact CG-O 3.46Å; M47-Q55 PolarHBondContact N-O 2.92Å; M47-Q55 HydrophobicContact SD-CG 3.77Å; Y50-Q55 VanDerWaalsContact CD2-OE1 3.32Å; N52-Q55 HydrophobicContact CB-CB 4.12Å; N52-Q55 WeakPolarHBondContact O-CB 3.47Å; N52-Q55 PolarHBondContact O-N 3.18Å; Q55-F237 WeakPolarHBondContact CG-O 3.23Å; Q55-N239 VanDerWaalsContact CG-O 3.23Å; Q55-N239 WeakPolarHBondContact CG-O 3.34Å; Q55-N239 PolarHBondContact NE2-O 3.4Å
56	N	95.6	Very high	96.3	Very high	71 Å²	71	45.2 Å²	45.2	38%	0.38	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.8	172.8	-62.1	-20.4	0	0	0	110.1	I45 N46 K54 T240	I45-N56 WeakPolarHBondContact O-CA 3.36Å; N46-N56 WeakPolarHBondContact CA-OD1 3.44Å; N46-N56 PolarHBondContact ND2-OD1 3.45Å; N46-N56 VanDerWaalsContact ND2-OD1 3.13Å; K54-N56 VanDerWaalsContact C-N 3.32Å; K54-N56 PolarHBondContact O-N 2.75Å; K54-N56 VanDerWaalsContact O-N 3.11Å; N56-T240 WeakPolarHBondContact O-CB 3.34Å; N56-T240 WeakPolarHBondContact O-CG2 3.44Å
57	D	96.4	Very high	96.4	Very high	3 Å²	3	45 Å²	45	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	149.3	175.6	60.4	8.8	0	0	0	112.1	P41 I42 T43 D44 I45 M47 T240 V242	P41-D57 VanDerWaalsContact O-OD2 3.08Å; I42-D57 WeakPolarHBondContact CA-OD2 3.42Å; T43-D57 WeakPolarHBondContact CA-O 3.25Å; T43-D57 WeakPolarHBondContact CA-OD1 3.41Å; T43-D57 PolarHBondContact N-OD1 2.88Å; T43-D57 VanDerWaalsContact N-OD1 3.1Å; D44-D57 PolarHBondContact N-O 3.15Å; D44-D57 PolarHBondContact N-OD1 3.15Å; I45-D57 PolarHBondContact N-OD1 3.38Å; I45-D57 VanDerWaalsContact O-CG 3.27Å; I45-D57 PolarHBondContact O-N 3.33Å; M47-D57 HydrophobicContact CG-CB 4.26Å; D57-T240 CarbonylContact C-O 3.58Å; D57-T240 WeakPolarHBondContact CA-O 3.26Å; D57-V242 HydrophobicContact CB-CG2 3.94Å
58	N	97.2	Very high	96.5	Very high	100 Å²	100	45 Å²	45	54%	0.535	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	16.1	177.8	68.6	9.5	0	0	0	113	I42 T240	I42-N58 CarbonylContact O-C 3.41Å; I42-N58 PolarHBondContact O-N 2.89Å; N58-T240 PolarHBondContact N-O 2.9Å; N58-T240 PolarHBondContact ND2-OG1 3.47Å; N58-T240 VanDerWaalsContact OD1-CB 3.32Å; N58-T240 WeakPolarHBondContact OD1-CB 3.48Å; N58-T240 PolarHBondContact OD1-O 2.55Å; N58-T240 PolarHBondContact OD1-OG1 2.95Å
59	G	98.2	Very high	96.5	Very high	14 Å²	14	44.5 Å²	44.5	14%	0.144	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-172.4	178.6	0	0	0	0	0	113	I42 L241 V242	I42-G59 WeakPolarHBondContact O-CA 3.32Å; I42-G59 PolarHBondContact O-N 3.47Å; G59-L241 WeakPolarHBondContact O-CA 3.39Å; G59-V242 PolarHBondContact O-N 3.34Å
60	L	98.4	Very high	96.6	Very high	64 Å²	64	43.6 Å²	43.6	34%	0.335	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	-176	-179.6	67.8	0	0	0	110	T39 I42 L62 R63 V242	T39-L60 HydrophobicContact CG2-CD1 4.26Å; I42-L60 HydrophobicContact CD1-CB 4.03Å; I42-L60 HydrophobicContact CG2-CB 4.3Å; I42-L60 HydrophobicContact CG2-CD1 4.14Å; L60-L62 VanDerWaalsContact CD1-O 3.31Å; L60-L62 WeakPolarHBondContact CD1-O 3.44Å; L60-R63 HydrophobicContact CD2-CG 4.25Å; L60-V242 HydrophobicContact CD1-CB 3.95Å; L60-V242 HydrophobicContact CD1-CG1 4.02Å
61	H	98.5	Very high	96.7	Very high	64 Å²	64	41.9 Å²	41.9	30%	0.296	22%	0.216	S	C	.	.	S	Bend	trans	-97	-57	166.5	173.6	-150.7	0	0	0	110.3	L241 V242 S243 F321	H61-L241 HydrophobicContact CB-CB 3.8Å; H61-L241 HydrophobicContact CB-CD1 4.16Å; H61-V242 WeakPolarHBondContact CA-O 3.38Å; H61-V242 PolarHBondContact N-O 3.35Å; H61-S243 PolarHBondContact ND1-OG 3.08Å; H61-S243 VanDerWaalsContact ND1-OG 3.14Å; H61-F321 AromaticContact CE1-CD1 3.85Å
62	L	98.3	Very high	96.9	Very high	19 Å²	19	40 Å²	40	10%	0.099	19%	0.194	C	C	.	.	S	Bend	trans	-134.1	138.9	179	-60.9	173.5	0	0	0	109.9	L60 V242 L249 I252	L60-L62 VanDerWaalsContact CD1-O 3.31Å; L60-L62 WeakPolarHBondContact CD1-O 3.44Å; L62-V242 PolarHBondContact N-O 2.77Å; L62-L249 HydrophobicContact CD1-CB 3.82Å; L62-L249 HydrophobicContact CD1-CD1 4.12Å; L62-L249 HydrophobicContact CD1-CG 4.42Å; L62-L249 HydrophobicContact CD2-CD1 4.45Å; L62-I252 HydrophobicContact CB-CD1 4.34Å; L62-I252 HydrophobicContact CD1-CD1 4.39Å; L62-I252 HydrophobicContact CD2-CD1 4.05Å; L62-I252 HydrophobicContact CG-CD1 4.5Å
63	R	98.5	Very high	97	Very high	102 Å²	102	39.7 Å²	39.7	39%	0.385	19%	0.191	S	C	.	.			trans	-62.6	155.4	169.9	-74.9	-79.3	-178.1	172.9	-12.1	110.8	D37 T39 L60 F65 S244	D37-R63 IonicContact OD1-NH1 3.54Å; D37-R63 IonicContact OD2-CZ 2.77Å; D37-R63 IonicContact OD2-NE 3.56Å; D37-R63 IonicContact OD2-NH1 3.42Å; D37-R63 PolarHBondContact OD2-NH1 3.49Å; T39-R63 WeakPolarHBondContact OG1-CD 3.45Å; L60-R63 HydrophobicContact CD2-CG 4.25Å; R63-F65 HydrophobicContact CB-CD2 4.41Å; R63-F65 HydrophobicContact CB-CE1 4.33Å; R63-F65 HydrophobicContact CB-CE2 3.6Å; R63-F65 HydrophobicContact CB-CZ 3.55Å; R63-F65 HydrophobicContact CG-CZ 4.33Å; R63-S244 PolarHBondContact O-OG 3.38Å
64	L	98.8	Very high	97.1	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	18%	0.175	C	C	.	.			trans	-103.9	130.9	174.9	-51.7	-177.4	0	0	0	108.9	I38 T39 D86 T123 V242	I38-L64 HydrophobicContact CD1-CB 4.32Å; I38-L64 VanDerWaalsContact CG1-C 3.46Å; I38-L64 HydrophobicContact CG1-CB 3.82Å; I38-L64 VanDerWaalsContact CG1-O 3.27Å; I38-L64 WeakPolarHBondContact CG1-O 3.34Å; I38-L64 PolarHBondContact N-O 3.31Å; T39-L64 PolarHBondContact OG1-N 2.87Å; T39-L64 PolarHBondContact OG1-O 3.08Å; L64-D86 HydrophobicContact CB-CB 3.93Å; L64-D86 WeakPolarHBondContact CB-O 3.45Å; L64-D86 HydrophobicContact CD2-CB 4.07Å; L64-T123 HydrophobicContact CD2-CG2 4.49Å; L64-V242 HydrophobicContact CD1-CG1 3.93Å; L64-V242 HydrophobicContact CD2-CG1 4.21Å; L64-V242 HydrophobicContact CG-CG1 3.95Å
65	F	98.9	Very high	96.9	Very high	7 Å²	7	32 Å²	32	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.2	-179.2	-61.3	-79.5	0	0	0	112.8	I35 H36 D37 I38 R63 D86 L264	I35-F65 HydrophobicContact CD1-CB 4.03Å; I35-F65 HydrophobicContact CD1-CD1 4.13Å; I35-F65 HydrophobicContact CD1-CG 4.01Å; I35-F65 HydrophobicContact CG1-CB 4.01Å; I35-F65 HydrophobicContact CG1-CD1 4.05Å; I35-F65 HydrophobicContact CG1-CG 4.22Å; H36-F65 CarbonylContact O-C 3.41Å; H36-F65 WeakPolarHBondContact O-CA 3.39Å; D37-F65 HydrophobicContact CB-CD1 4.42Å; D37-F65 HydrophobicContact CB-CE1 4.33Å; I38-F65 WeakPolarHBondContact CD1-O 3.36Å; R63-F65 HydrophobicContact CB-CD2 4.41Å; R63-F65 HydrophobicContact CB-CE1 4.33Å; R63-F65 HydrophobicContact CB-CE2 3.6Å; R63-F65 HydrophobicContact CB-CZ 3.55Å; R63-F65 HydrophobicContact CG-CZ 4.33Å; F65-D86 PolarHBondContact N-OD2 3.28Å; F65-D86 PolarHBondContact O-N 2.99Å; F65-L264 HydrophobicContact CE2-CB 4.4Å; F65-L264 HydrophobicContact CZ-CB 3.98Å
66	S	98.9	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.2	160.1	178.5	0	0	0	0	109.2	I35 H36 V83 S158	I35-S66 VanDerWaalsContact CA-O 3.31Å; I35-S66 WeakPolarHBondContact CA-O 3.4Å; H36-S66 PolarHBondContact N-O 3.04Å; H36-S66 PolarHBondContact O-N 2.84Å; S66-V83 WeakPolarHBondContact OG-CG1 3.36Å; S66-S158 WeakPolarHBondContact CB-OG 3.24Å; S66-S158 WeakPolarHBondContact O-CB 3.45Å; S66-S158 PolarHBondContact OG-OG 2.84Å
67	R	98.9	Very high	96.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.4	179.4	-64	-179.6	176.2	84.4	-1.6	109.6	G34 I35 F69 V83 I84 D86 E255 V270 A271 A272	G34-R67 CarbonylContact O-C 3.07Å; G34-R67 WeakPolarHBondContact O-CA 3.25Å; I35-R67 HydrophobicContact CD1-CG 4.07Å; I35-R67 HydrophobicContact CG1-CG 4.13Å; R67-F69 HydrophobicContact CB-CE2 4.04Å; R67-V83 CarbonylContact O-C 3.57Å; R67-V83 WeakPolarHBondContact O-CA 3.18Å; R67-I84 PolarHBondContact N-O 2.69Å; R67-I84 PolarHBondContact O-N 2.8Å; R67-D86 IonicContact CZ-OD2 3.46Å; R67-D86 IonicContact NH1-OD1 3.56Å; R67-D86 IonicContact NH1-OD2 3.86Å; R67-D86 PolarHBondContact NH1-OD2 3.48Å; R67-E255 IonicContact CZ-OE1 2.81Å; R67-E255 IonicContact CZ-OE2 3.28Å; R67-E255 IonicContact NE-OE1 3.29Å; R67-E255 PolarHBondContact NE-OE1 3.15Å; R67-E255 IonicContact NE-OE2 3.56Å; R67-E255 IonicContact NH2-OE1 3.85Å; R67-E255 IonicContact NH2-OE2 2.98Å; R67-E255 PolarHBondContact NH2-OE2 3.17Å; R67-V270 HydrophobicContact CB-CG1 3.74Å; R67-V270 HydrophobicContact CG-CG1 3.8Å; R67-A271 WeakPolarHBondContact CD-O 3.29Å; R67-A271 PolarHBondContact NE-O 2.79Å; R67-A272 HydrophobicContact CB-CB 4.06Å
68	A	98.9	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.2	-175.3	0	0	0	0	0	112	V33 G34 I82 V83 I159 A162	V33-A68 WeakPolarHBondContact CA-O 3.33Å; G34-A68 PolarHBondContact N-O 3.23Å; G34-A68 PolarHBondContact O-N 3.16Å; A68-I82 CarbonylContact C-O 3.54Å; A68-I82 WeakPolarHBondContact CA-O 3.27Å; A68-V83 HydrophobicContact CB-CG2 4.04Å; A68-I159 HydrophobicContact CB-CG1 3.95Å; A68-A162 HydrophobicContact CB-CB 4.12Å
69	F	98.9	Very high	96.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.8	178.4	-57.3	-100.3	0	0	0	108.2	G32 V33 R67 V81 I82 F214 M224 I225 V270 A272	G32-F69 CarbonylContact O-C 3.57Å; G32-F69 WeakPolarHBondContact O-CA 3.47Å; V33-F69 HydrophobicContact CG1-CD1 3.77Å; V33-F69 HydrophobicContact CG1-CE1 4.06Å; R67-F69 HydrophobicContact CB-CE2 4.04Å; F69-V81 WeakPolarHBondContact O-CA 3.31Å; F69-I82 PolarHBondContact N-O 3.46Å; F69-I82 PolarHBondContact O-N 3.34Å; F69-F214 AromaticContact CD1-CD2 3.82Å; F69-F214 HydrophobicContact CD1-CD2 3.82Å; F69-F214 AromaticContact CD1-CE2 3.54Å; F69-F214 HydrophobicContact CD1-CE2 3.54Å; F69-F214 HydrophobicContact CD1-CZ 4.16Å; F69-F214 HydrophobicContact CE1-CD2 4.06Å; F69-F214 AromaticContact CE1-CE2 3.93Å; F69-F214 HydrophobicContact CE1-CE2 3.93Å; F69-F214 HydrophobicContact CG-CE2 4.36Å; F69-M224 WeakPolarHBondContact CE1-O 3.44Å; F69-M224 VanDerWaalsContact CZ-O 3.24Å; F69-M224 WeakPolarHBondContact CZ-O 3.27Å; F69-I225 HydrophobicContact CB-CD1 4.02Å; F69-I225 HydrophobicContact CD1-CD1 4.02Å; F69-I225 HydrophobicContact CD1-CG1 3.84Å; F69-I225 HydrophobicContact CD2-CD1 3.54Å; F69-I225 HydrophobicContact CD2-CG1 3.53Å; F69-I225 HydrophobicContact CE1-CD1 4.4Å; F69-I225 HydrophobicContact CE1-CG1 3.71Å; F69-I225 HydrophobicContact CE2-CD1 3.98Å; F69-I225 HydrophobicContact CE2-CG1 3.41Å; F69-I225 VanDerWaalsContact CE2-CG1 3.41Å; F69-I225 HydrophobicContact CG-CD1 3.58Å; F69-I225 HydrophobicContact CG-CG1 3.77Å; F69-I225 HydrophobicContact CZ-CD1 4.39Å; F69-I225 HydrophobicContact CZ-CG1 3.5Å; F69-I225 VanDerWaalsContact CZ-CG1 3.5Å; F69-V270 HydrophobicContact CE1-CG1 4.49Å; F69-V270 HydrophobicContact CE2-CG1 4.44Å; F69-V270 HydrophobicContact CZ-CB 4.44Å; F69-V270 HydrophobicContact CZ-CG1 3.9Å; F69-A272 HydrophobicContact CE2-CB 3.59Å; F69-A272 HydrophobicContact CZ-CB 3.79Å
70	I	98.7	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.8	177.8	-62	-171.2	0	0	0	108.6	I31 G32 P79 I80 V81 F111 I159 A162 Y163 M166	I31-I70 CarbonylContact C-O 3.4Å; I31-I70 VanDerWaalsContact CA-O 3.31Å; I31-I70 WeakPolarHBondContact CA-O 3.46Å; G32-I70 PolarHBondContact N-O 3.26Å; G32-I70 PolarHBondContact O-N 3.2Å; I70-P79 HydrophobicContact CG2-CB 3.74Å; I70-I80 WeakPolarHBondContact CA-O 3.35Å; I70-V81 HydrophobicContact CD1-CG2 4.32Å; I70-V81 HydrophobicContact CG1-CG1 4.13Å; I70-V81 HydrophobicContact CG1-CG2 4.05Å; I70-F111 HydrophobicContact CD1-CE1 4.23Å; I70-F111 HydrophobicContact CD1-CZ 4.16Å; I70-I159 HydrophobicContact CD1-CG2 4.13Å; I70-A162 HydrophobicContact CD1-CB 3.98Å; I70-A162 HydrophobicContact CG1-CB 3.82Å; I70-Y163 HydrophobicContact CD1-CD2 3.99Å; I70-Y163 HydrophobicContact CD1-CG 4.34Å; I70-M166 HydrophobicContact CG2-SD 3.76Å
71	I	98.5	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.7	-180	-55	160.5	0	0	0	107.8	Y29 L30 P79 I80 I171 F214 V350 I454	Y29-I71 HydrophobicContact CD1-CG2 4.17Å; Y29-I71 HydrophobicContact CG-CG2 4.16Å; L30-I71 WeakPolarHBondContact O-CA 3.36Å; I71-P79 CarbonylContact O-C 3.49Å; I71-P79 WeakPolarHBondContact O-CA 3.47Å; I71-I80 HydrophobicContact CB-CD1 4.35Å; I71-I80 HydrophobicContact CB-CG1 3.88Å; I71-I80 HydrophobicContact CD1-CD1 4.22Å; I71-I80 HydrophobicContact CD1-CG1 4.46Å; I71-I80 PolarHBondContact N-O 3.06Å; I71-I80 PolarHBondContact O-N 2.64Å; I71-I171 HydrophobicContact CD1-CD1 3.83Å; I71-I171 HydrophobicContact CG1-CD1 4.1Å; I71-I171 HydrophobicContact CG2-CD1 3.74Å; I71-F214 HydrophobicContact CD1-CE1 3.73Å; I71-F214 HydrophobicContact CD1-CZ 4.25Å; I71-F214 HydrophobicContact CG1-CE1 4.11Å; I71-V350 HydrophobicContact CG2-CG2 3.97Å; I71-I454 HydrophobicContact CD1-CD1 3.5Å; I71-I454 HydrophobicContact CD1-CG1 4.33Å
72	Q	96.2	Very high	96.3	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139	-175.7	-175.6	-174.3	16.1	0	0	108.8	Y29 L30 N74 S75 S77 P79	Y29-Q72 CarbonylContact C-O 3.55Å; Y29-Q72 WeakPolarHBondContact CA-O 3.11Å; L30-Q72 HydrophobicContact CB-CB 4.2Å; L30-Q72 PolarHBondContact N-O 2.87Å; L30-Q72 PolarHBondContact O-N 3.27Å; Q72-N74 WeakPolarHBondContact CG-O 3.47Å; Q72-N74 PolarHBondContact NE2-O 3.12Å; Q72-S75 PolarHBondContact NE2-O 2.97Å; Q72-S77 WeakPolarHBondContact CG-OG 3.41Å; Q72-S77 PolarHBondContact NE2-O 3.01Å; Q72-P79 HydrophobicContact CB-CB 4.16Å; Q72-P79 HydrophobicContact CG-CB 4.45Å
73	E	93.9	Very high	96.4	Very high	39 Å²	39	26.8 Å²	26.8	18%	0.182	15%	0.149	C	C	.	.	S	Bend	trans	-66.7	-42.7	-179.3	-61.1	178.7	178.1	0	0	111.9	I26 S77 T349 V350	I26-E73 HydrophobicContact CD1-CB 4.43Å; I26-E73 HydrophobicContact CD1-CG 4.12Å; E73-S77 PolarHBondContact N-OG 3.08Å; E73-S77 VanDerWaalsContact N-OG 3.12Å; E73-T349 VanDerWaalsContact OE1-C 3.26Å; E73-T349 WeakPolarHBondContact OE1-CA 3.4Å; E73-T349 WeakPolarHBondContact OE1-CB 3.36Å; E73-T349 WeakPolarHBondContact OE1-CG2 3.32Å; E73-V350 HydrophobicContact CG-CB 3.86Å; E73-V350 HydrophobicContact CG-CG2 3.83Å; E73-V350 PolarHBondContact OE1-N 3.38Å
74	N	91	Very high	96.4	Very high	72 Å²	72	22 Å²	22	39%	0.385	13%	0.131	S	C	.	.	S	Bend	trans	-162	166.4	-179.7	60.7	71.4	0	0	0	109.3	Q72 S76 S77	Q72-N74 WeakPolarHBondContact CG-O 3.47Å; Q72-N74 PolarHBondContact NE2-O 3.12Å; N74-S76 PolarHBondContact O-N 3.35Å; N74-S76 WeakPolarHBondContact OD1-CA 3.41Å; N74-S76 WeakPolarHBondContact OD1-CB 3.12Å; N74-S76 PolarHBondContact OD1-N 3.09Å; N74-S77 PolarHBondContact N-OG 3.35Å; N74-S77 PolarHBondContact O-N 2.94Å; N74-S77 PolarHBondContact O-OG 2.95Å; N74-S77 PolarHBondContact OD1-N 3.43Å; N74-S77 VanDerWaalsContact OD1-N 3.09Å
75	S	88.5	Confident	96.4	Very high	99 Å²	99	21.6 Å²	21.6	69%	0.692	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.6	-174.8	55.9	0	0	0	0	115.8	Q72	Q72-S75 PolarHBondContact NE2-O 2.97Å
76	S	88	Confident	96.4	Very high	111 Å²	111	21.3 Å²	21.3	78%	0.776	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-14.9	178.5	-56.4	0	0	0	0	113.9	N74	N74-S76 PolarHBondContact O-N 3.35Å; N74-S76 WeakPolarHBondContact OD1-CA 3.41Å; N74-S76 WeakPolarHBondContact OD1-CB 3.12Å; N74-S76 PolarHBondContact OD1-N 3.09Å
77	S	91.9	Very high	96.4	Very high	23 Å²	23	21.6 Å²	21.6	16%	0.161	13%	0.13	C	C	.	.	S	Bend	trans	-77.9	156.8	177.9	63.4	0	0	0	0	111.7	Q72 E73 N74	Q72-S77 WeakPolarHBondContact CG-OG 3.41Å; Q72-S77 PolarHBondContact NE2-O 3.01Å; E73-S77 PolarHBondContact N-OG 3.08Å; E73-S77 VanDerWaalsContact N-OG 3.12Å; N74-S77 PolarHBondContact N-OG 3.35Å; N74-S77 PolarHBondContact O-N 2.94Å; N74-S77 PolarHBondContact O-OG 2.95Å; N74-S77 PolarHBondContact OD1-N 3.43Å; N74-S77 VanDerWaalsContact OD1-N 3.09Å
78	Q	93.4	Very high	96.4	Very high	95 Å²	95	21.6 Å²	21.6	44%	0.444	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-74.7	137.6	170.5	-75.2	-177.2	-59.2	0	0	110.1	G109 F352	Q78-G109 PolarHBondContact NE2-O 3.21Å; Q78-F352 HydrophobicContact CB-CE1 3.99Å; Q78-F352 HydrophobicContact CB-CZ 4.42Å
79	P	96.9	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-75	158.9	175.7	31	-33.9	0	0	0	110.9	I70 I71 Q72 L110 F111 N115	I70-P79 HydrophobicContact CG2-CB 3.74Å; I71-P79 CarbonylContact O-C 3.49Å; I71-P79 WeakPolarHBondContact O-CA 3.47Å; Q72-P79 HydrophobicContact CB-CB 4.16Å; Q72-P79 HydrophobicContact CG-CB 4.45Å; P79-L110 HydrophobicContact CG-CD1 4.06Å; P79-L110 HydrophobicContact CG-CG 4.48Å; P79-F111 HydrophobicContact CG-CD1 4.35Å; P79-F111 HydrophobicContact CG-CE1 3.84Å; P79-N115 VanDerWaalsContact O-CB 3.31Å; P79-N115 WeakPolarHBondContact O-CB 3.05Å; P79-N115 PolarHBondContact O-ND2 3.08Å
80	I	98.5	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	148.2	150.5	62	172.6	0	0	0	109.2	I70 I71 N115 V350 F352 V452 I454	I70-I80 WeakPolarHBondContact CA-O 3.35Å; I71-I80 HydrophobicContact CB-CD1 4.35Å; I71-I80 HydrophobicContact CB-CG1 3.88Å; I71-I80 HydrophobicContact CD1-CD1 4.22Å; I71-I80 HydrophobicContact CD1-CG1 4.46Å; I71-I80 PolarHBondContact N-O 3.06Å; I71-I80 PolarHBondContact O-N 2.64Å; I80-N115 CarbonylContact C-O 3.53Å; I80-N115 WeakPolarHBondContact CA-O 2.92Å; I80-V350 HydrophobicContact CB-CG1 4.1Å; I80-V350 HydrophobicContact CD1-CG1 3.98Å; I80-V350 HydrophobicContact CG1-CG1 3.66Å; I80-V350 HydrophobicContact CG2-CG1 3.56Å; I80-F352 HydrophobicContact CG2-CB 4.22Å; I80-F352 HydrophobicContact CG2-CD1 3.92Å; I80-V452 HydrophobicContact CB-CB 4.39Å; I80-V452 HydrophobicContact CB-CG1 4.46Å; I80-V452 HydrophobicContact CD1-CB 4.17Å; I80-V452 HydrophobicContact CD1-CG2 4.22Å; I80-V452 HydrophobicContact CG2-CB 4.08Å; I80-V452 HydrophobicContact CG2-CG1 4.18Å; I80-I454 HydrophobicContact CD1-CD1 4.21Å; I80-I454 HydrophobicContact CD1-CG1 3.72Å
81	V	98.8	Very high	96.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.4	176.7	-171.5	0	0	0	0	108.6	F69 I70 V83 F111 N115 V116 L117 I159	F69-V81 WeakPolarHBondContact O-CA 3.31Å; I70-V81 HydrophobicContact CD1-CG2 4.32Å; I70-V81 HydrophobicContact CG1-CG1 4.13Å; I70-V81 HydrophobicContact CG1-CG2 4.05Å; V81-V83 HydrophobicContact CG1-CG2 3.87Å; V81-F111 HydrophobicContact CG2-CD1 3.62Å; V81-F111 HydrophobicContact CG2-CE1 3.45Å; V81-F111 VanDerWaalsContact CG2-CE1 3.45Å; V81-N115 PolarHBondContact N-O 3.43Å; V81-V116 HydrophobicContact CB-CB 4.45Å; V81-V116 HydrophobicContact CB-CG1 4.38Å; V81-V116 HydrophobicContact CB-CG2 4.15Å; V81-V116 HydrophobicContact CG2-CG2 4.12Å; V81-L117 PolarHBondContact O-N 3.36Å; V81-I159 HydrophobicContact CG1-CD1 4.19Å; V81-I159 HydrophobicContact CG1-CG1 3.97Å; V81-I159 HydrophobicContact CG1-CG2 4.38Å
82	I	98.9	Very high	96	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.3	173.9	-58.4	164.9	0	0	0	107.3	A68 F69 I84 L117 I225 V452 I459	A68-I82 CarbonylContact C-O 3.54Å; A68-I82 WeakPolarHBondContact CA-O 3.27Å; F69-I82 PolarHBondContact N-O 3.46Å; F69-I82 PolarHBondContact O-N 3.34Å; I82-I84 HydrophobicContact CG2-CD1 4.2Å; I82-L117 HydrophobicContact CG2-CD2 4.46Å; I82-I225 HydrophobicContact CB-CD1 4.34Å; I82-I225 HydrophobicContact CD1-CD1 4.4Å; I82-I225 HydrophobicContact CG2-CD1 4.01Å; I82-V452 HydrophobicContact CD1-CG2 4.46Å; I82-V452 HydrophobicContact CG1-CG2 4.42Å; I82-I459 HydrophobicContact CD1-CD1 3.51Å
83	V	99	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.9	178.8	-172.2	0	0	0	0	109.7	S66 R67 A68 V81 I85 L117 I118 S119 I155 I159	S66-V83 WeakPolarHBondContact OG-CG1 3.36Å; R67-V83 CarbonylContact O-C 3.57Å; R67-V83 WeakPolarHBondContact O-CA 3.18Å; A68-V83 HydrophobicContact CB-CG2 4.04Å; V81-V83 HydrophobicContact CG1-CG2 3.87Å; V83-I85 HydrophobicContact CG1-CG2 3.89Å; V83-L117 PolarHBondContact N-O 3.49Å; V83-I118 HydrophobicContact CB-CG1 4.27Å; V83-I118 HydrophobicContact CB-CG2 4.32Å; V83-I118 HydrophobicContact CG2-CG1 4.45Å; V83-I118 CarbonylContact O-C 3.59Å; V83-I118 WeakPolarHBondContact O-CA 3.37Å; V83-S119 PolarHBondContact O-N 3.15Å; V83-I155 HydrophobicContact CG1-CG2 4.28Å; V83-I159 HydrophobicContact CG2-CD1 3.94Å; V83-I159 HydrophobicContact CG2-CG1 3.88Å
84	I	98.9	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.7	171.8	-50.8	-54.9	0	0	0	108.5	R67 I82 S119 T121 I225 A272 A274	R67-I84 PolarHBondContact N-O 2.69Å; R67-I84 PolarHBondContact O-N 2.8Å; I82-I84 HydrophobicContact CG2-CD1 4.2Å; I84-S119 CarbonylContact C-O 3.57Å; I84-S119 WeakPolarHBondContact CA-O 3.39Å; I84-T121 HydrophobicContact CG2-CG2 3.74Å; I84-I225 HydrophobicContact CG1-CG2 4.3Å; I84-A272 HydrophobicContact CB-CB 3.84Å; I84-A272 HydrophobicContact CG1-CB 3.78Å; I84-A272 HydrophobicContact CG2-CB 4.31Å; I84-A274 HydrophobicContact CD1-CB 3.67Å; I84-A274 HydrophobicContact CG1-CB 4.13Å; I84-A274 HydrophobicContact CG2-CB 4.43Å
85	I	98.9	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.1	-179.6	62.1	170.3	0	0	0	111.7	I38 V83 A87 V90 I118 S119 A120 T121 L151 I155	I38-I85 HydrophobicContact CD1-CB 3.83Å; I38-I85 HydrophobicContact CD1-CG2 4.3Å; V83-I85 HydrophobicContact CG1-CG2 3.89Å; I85-A87 HydrophobicContact CD1-CB 3.7Å; I85-A87 HydrophobicContact CG1-CB 3.95Å; I85-A87 PolarHBondContact O-N 2.69Å; I85-V90 HydrophobicContact CD1-CG2 3.97Å; I85-V90 HydrophobicContact CG1-CG2 4.33Å; I85-I118 HydrophobicContact CD1-CG2 4.36Å; I85-I118 HydrophobicContact CG2-CG2 4.25Å; I85-S119 WeakPolarHBondContact CG1-O 3.48Å; I85-S119 PolarHBondContact N-O 2.96Å; I85-A120 HydrophobicContact CD1-CB 4.44Å; I85-A120 HydrophobicContact CG1-CB 3.96Å; I85-A120 CarbonylContact O-C 3.37Å; I85-A120 WeakPolarHBondContact O-CA 3.48Å; I85-T121 PolarHBondContact O-N 2.94Å; I85-L151 HydrophobicContact CD1-CD1 4.14Å; I85-I155 HydrophobicContact CD1-CD1 4.47Å; I85-I155 HydrophobicContact CG2-CD1 3.91Å; I85-I155 HydrophobicContact CG2-CG1 3.7Å
86	D	98.9	Very high	96.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-75	75.4	168.3	-67	-41.6	0	0	0	110.4	L64 F65 R67 T121	L64-D86 HydrophobicContact CB-CB 3.93Å; L64-D86 WeakPolarHBondContact CB-O 3.45Å; L64-D86 HydrophobicContact CD2-CB 4.07Å; F65-D86 PolarHBondContact N-OD2 3.28Å; F65-D86 PolarHBondContact O-N 2.99Å; R67-D86 IonicContact CZ-OD2 3.46Å; R67-D86 IonicContact NH1-OD1 3.56Å; R67-D86 IonicContact NH1-OD2 3.86Å; R67-D86 PolarHBondContact NH1-OD2 3.48Å; D86-T121 WeakPolarHBondContact CA-OG1 3.28Å; D86-T121 VanDerWaalsContact OD1-CG2 3.3Å; D86-T121 WeakPolarHBondContact OD1-CG2 3.46Å; D86-T121 PolarHBondContact OD1-OG1 2.94Å
87	A	98.7	Very high	97.4	Very high	7 Å²	7	10.7 Å²	10.7	6%	0.058	6%	0.055	C	C	.	.	S	Bend	trans	-140.1	167.7	178.4	0	0	0	0	0	111.2	I85 H122 T123	I85-A87 HydrophobicContact CD1-CB 3.7Å; I85-A87 HydrophobicContact CG1-CB 3.95Å; I85-A87 PolarHBondContact O-N 2.69Å; A87-H122 VanDerWaalsContact O-CA 3.28Å; A87-H122 WeakPolarHBondContact O-CA 3.43Å; A87-H122 PolarHBondContact O-N 3.46Å; A87-T123 PolarHBondContact O-N 3.08Å
88	G	98.3	Very high	97.7	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.01	5%	0.047	C	C	.	.	S	Bend	trans	-64.3	-45.9	174.7	0	0	0	0	0	112.3	H122 T123 Y130 L504	G88-H122 WeakPolarHBondContact O-CA 3.46Å; G88-H122 PolarHBondContact O-ND1 2.85Å; G88-T123 WeakPolarHBondContact CA-O 3.34Å; G88-T123 PolarHBondContact N-O 2.57Å; G88-Y130 PolarHBondContact N-OH 2.81Å; G88-L504 WeakPolarHBondContact O-CD2 3.46Å
89	M	98.1	Very high	97.9	Very high	8 Å²	8	5.1 Å²	5.1	4%	0.039	3%	0.026	C	C	.	.			trans	-160.1	165.2	178.3	49.2	-88.6	-89	0	0	110.4	M48 Y130 L131 L504 Y508	M48-M89 HydrophobicContact CE-CE 4.26Å; M48-M89 HydrophobicContact CE-SD 4.29Å; M48-M89 HydrophobicContact CG-SD 3.58Å; M48-M89 VanDerWaalsContact CG-SD 3.58Å; M48-M89 HydrophobicContact SD-SD 4.17Å; M89-Y130 PolarHBondContact N-OH 2.71Å; M89-Y130 VanDerWaalsContact O-CE2 3.27Å; M89-Y130 WeakPolarHBondContact O-CE2 3.46Å; M89-Y130 PolarHBondContact O-OH 2.95Å; M89-L131 HydrophobicContact CE-CD1 4.42Å; M89-L131 HydrophobicContact CG-CD1 3.82Å; M89-L131 HydrophobicContact CG-CD2 3.95Å; M89-L131 HydrophobicContact CG-CG 4.42Å; M89-L131 HydrophobicContact SD-CD1 3.92Å; M89-L504 HydrophobicContact CB-CD2 3.95Å; M89-Y508 HydrophobicContact CB-CD1 4.5Å; M89-Y508 HydrophobicContact CB-CD2 3.59Å; M89-Y508 HydrophobicContact CB-CE2 4.27Å; M89-Y508 HydrophobicContact CB-CG 3.72Å; M89-Y508 HydrophobicContact CE-CD1 3.54Å; M89-Y508 HydrophobicContact CE-CD2 4.09Å; M89-Y508 HydrophobicContact CE-CE1 3.23Å; M89-Y508 HydrophobicContact CE-CE2 3.82Å; M89-Y508 HydrophobicContact CE-CG 3.96Å; M89-Y508 HydrophobicContact CG-CD1 4.09Å; M89-Y508 HydrophobicContact CG-CD2 4.08Å; M89-Y508 HydrophobicContact CG-CG 3.75Å
90	V	97.5	Very high	97.8	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	4%	0.041	C	C	.	.			trans	-86.2	130.7	173.4	-176.2	0	0	0	0	110.3	I85 I118 A120 L504 N506 V507 Y508	I85-V90 HydrophobicContact CD1-CG2 3.97Å; I85-V90 HydrophobicContact CG1-CG2 4.33Å; V90-I118 HydrophobicContact CG1-CB 4.15Å; V90-I118 HydrophobicContact CG1-CG2 4Å; V90-I118 HydrophobicContact CG2-CB 4.45Å; V90-I118 HydrophobicContact CG2-CG2 3.88Å; V90-A120 HydrophobicContact CG2-CB 3.99Å; V90-L504 WeakPolarHBondContact CG2-O 3.45Å; V90-N506 WeakPolarHBondContact CG1-O 3.32Å; V90-V507 CarbonylContact O-C 3.4Å; V90-Y508 PolarHBondContact O-N 3.03Å; V90-Y508 VanDerWaalsContact O-N 3.16Å
91	S	95.6	Very high	97.8	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.051	C	C	.	.			trans	-90.6	134.9	174.9	173.1	0	0	0	0	110.8	A93 V94 K95 Y130	S91-A93 PolarHBondContact O-N 2.75Å; S91-A93 PolarHBondContact OG-N 2.84Å; S91-V94 WeakPolarHBondContact O-CB 3.28Å; S91-V94 PolarHBondContact O-N 3.01Å; S91-V94 VanDerWaalsContact O-N 3.09Å; S91-K95 PolarHBondContact O-N 2.99Å; S91-Y130 VanDerWaalsContact CB-O 3.22Å; S91-Y130 WeakPolarHBondContact CB-O 3.45Å; S91-Y130 PolarHBondContact OG-O 3.04Å
92	Q	95.3	Very high	97.7	Very high	4 Å²	4	10 Å²	10	2%	0.019	5%	0.051	C	C	.	.	H	α-helix	trans	-58.9	-35.8	172.8	-173.8	169.6	52.9	0	0	111.5	K95 I96 Y133 I446 V507 A561	Q92-K95 PolarHBondContact O-N 2.8Å; Q92-I96 HydrophobicContact CG-CD1 4Å; Q92-I96 WeakPolarHBondContact O-CB 3.36Å; Q92-I96 VanDerWaalsContact O-CG1 3.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.44Å; Q92-I96 PolarHBondContact O-N 3.15Å; Q92-Y133 PolarHBondContact OE1-OH 2.73Å; Q92-I446 PolarHBondContact NE2-O 3.11Å; Q92-V507 HydrophobicContact CB-CB 4Å; Q92-V507 HydrophobicContact CB-CG2 3.78Å; Q92-V507 HydrophobicContact CG-CG2 4.44Å; Q92-A561 HydrophobicContact CG-CB 4.19Å; Q92-A561 VanDerWaalsContact NE2-CB 3.27Å
93	A	96.7	Very high	97.6	Very high	5 Å²	5	13.9 Å²	13.9	4%	0.041	7%	0.068	C	C	.	.	H	α-helix	trans	-66.7	-39.7	175	0	0	0	0	0	112.6	S91 K97 Q132 F148 Y563	S91-A93 PolarHBondContact O-N 2.75Å; S91-A93 PolarHBondContact OG-N 2.84Å; A93-K97 WeakPolarHBondContact O-CB 3.35Å; A93-K97 PolarHBondContact O-N 2.83Å; A93-Q132 HydrophobicContact CB-CB 3.79Å; A93-Q132 HydrophobicContact CB-CG 4.05Å; A93-F148 HydrophobicContact CB-CE2 4.03Å; A93-F148 HydrophobicContact CB-CZ 4.46Å; A93-Y563 HydrophobicContact CB-CD2 4.05Å; A93-Y563 HydrophobicContact CB-CE2 3.77Å
94	V	97.9	Very high	97.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-62.1	-48.2	174.3	169.8	0	0	0	0	109.8	S91 I96 K97 V98 Y130 F148 L151 V152 I155	S91-V94 WeakPolarHBondContact O-CB 3.28Å; S91-V94 PolarHBondContact O-N 3.01Å; S91-V94 VanDerWaalsContact O-N 3.09Å; V94-I96 PolarHBondContact O-N 3.33Å; V94-K97 PolarHBondContact O-N 2.82Å; V94-V98 HydrophobicContact CG1-CG2 4.27Å; V94-V98 WeakPolarHBondContact O-CB 3.16Å; V94-V98 VanDerWaalsContact O-CG2 3.26Å; V94-V98 WeakPolarHBondContact O-CG2 3.47Å; V94-V98 PolarHBondContact O-N 2.82Å; V94-Y130 HydrophobicContact CG2-CD2 4.39Å; V94-F148 HydrophobicContact CB-CE2 4.5Å; V94-F148 HydrophobicContact CG2-CD2 3.82Å; V94-F148 HydrophobicContact CG2-CE2 3.63Å; V94-L151 HydrophobicContact CG1-CD2 4.3Å; V94-L151 HydrophobicContact CG1-CG 4.19Å; V94-L151 HydrophobicContact CG2-CD2 3.79Å; V94-L151 HydrophobicContact CG2-CG 4.37Å; V94-V152 HydrophobicContact CB-CG2 4.41Å; V94-V152 HydrophobicContact CG1-CG2 4.11Å; V94-V152 HydrophobicContact CG2-CG2 4.33Å; V94-I155 HydrophobicContact CG1-CD1 3.63Å
95	K	97.8	Very high	97.2	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-48.3	179.2	-178.5	164.6	-178.2	167.4	0	112.3	S91 Q92 K97 V98 I99 H113 V116 I118 E448 N506	S91-K95 PolarHBondContact O-N 2.99Å; Q92-K95 PolarHBondContact O-N 2.8Å; K95-K97 VanDerWaalsContact C-N 3.32Å; K95-K97 PolarHBondContact O-N 2.81Å; K95-V98 PolarHBondContact O-N 2.94Å; K95-I99 HydrophobicContact CG-CG1 4.5Å; K95-I99 WeakPolarHBondContact O-CG1 3.3Å; K95-I99 PolarHBondContact O-N 3.31Å; K95-H113 PolarHBondContact NZ-O 3.4Å; K95-V116 WeakPolarHBondContact CE-O 3.44Å; K95-V116 PolarHBondContact NZ-O 3.29Å; K95-I118 HydrophobicContact CB-CD1 4.32Å; K95-I118 HydrophobicContact CG-CD1 4.2Å; K95-E448 WeakPolarHBondContact CD-OE2 3.26Å; K95-E448 WeakPolarHBondContact CE-OE1 3.48Å; K95-E448 WeakPolarHBondContact CE-OE2 3.49Å; K95-E448 IonicContact NZ-OE1 3.34Å; K95-E448 PolarHBondContact NZ-OE1 2.66Å; K95-E448 IonicContact NZ-OE2 3.22Å; K95-N506 HydrophobicContact CD-CB 3.67Å; K95-N506 PolarHBondContact NZ-ND2 3.03Å; K95-N506 PolarHBondContact NZ-OD1 3.12Å
96	I	97.1	Very high	97	Very high	18 Å²	18	28.6 Å²	28.6	9%	0.092	13%	0.134	C	C	.	.	H	α-helix	trans	-56	-48.7	177.1	-70.7	167.7	0	0	0	110.3	Q92 V94 V98 I99 D100 A561 Y563	Q92-I96 HydrophobicContact CG-CD1 4Å; Q92-I96 WeakPolarHBondContact O-CB 3.36Å; Q92-I96 VanDerWaalsContact O-CG1 3.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.44Å; Q92-I96 PolarHBondContact O-N 3.15Å; V94-I96 PolarHBondContact O-N 3.33Å; I96-V98 PolarHBondContact O-N 2.9Å; I96-I99 PolarHBondContact O-N 3.45Å; I96-D100 PolarHBondContact O-N 2.82Å; I96-A561 HydrophobicContact CD1-CB 4.3Å; I96-Y563 HydrophobicContact CB-CD2 4.1Å; I96-Y563 HydrophobicContact CB-CE2 4.33Å; I96-Y563 HydrophobicContact CD1-CD2 4Å; I96-Y563 HydrophobicContact CD1-CG 4.37Å; I96-Y563 HydrophobicContact CG2-CD2 3.88Å; I96-Y563 HydrophobicContact CG2-CE2 4.14Å; I96-Y563 HydrophobicContact CG2-CG 4.09Å
97	K	97.4	Very high	96.6	Very high	59 Å²	59	35.4 Å²	35.4	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-66	-37.4	-178.3	-166.4	65.1	168.7	175.3	0	113.2	A93 V94 K95 D100 H101 F148 V152	A93-K97 WeakPolarHBondContact O-CB 3.35Å; A93-K97 PolarHBondContact O-N 2.83Å; V94-K97 PolarHBondContact O-N 2.82Å; K95-K97 VanDerWaalsContact C-N 3.32Å; K95-K97 PolarHBondContact O-N 2.81Å; K97-D100 PolarHBondContact O-N 2.93Å; K97-H101 VanDerWaalsContact CE-NE2 3.34Å; K97-H101 WeakPolarHBondContact CE-NE2 3.46Å; K97-H101 PolarHBondContact O-CD2 3.46Å; K97-H101 PolarHBondContact O-N 3.02Å; K97-F148 HydrophobicContact CB-CE1 4.42Å; K97-F148 HydrophobicContact CB-CZ 4.08Å; K97-F148 HydrophobicContact CG-CE1 4.17Å; K97-F148 HydrophobicContact CG-CZ 4.32Å; K97-V152 HydrophobicContact CB-CG1 4.2Å; K97-V152 HydrophobicContact CB-CG2 4.09Å; K97-V152 HydrophobicContact CG-CG1 3.77Å; K97-V152 HydrophobicContact CG-CG2 4.16Å
98	V	98.3	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-48.3	173.2	166.3	0	0	0	0	110.5	V94 K95 I96 D100 H101 L102 I118 V152 I155 V156 I159	V94-V98 HydrophobicContact CG1-CG2 4.27Å; V94-V98 WeakPolarHBondContact O-CB 3.16Å; V94-V98 VanDerWaalsContact O-CG2 3.26Å; V94-V98 WeakPolarHBondContact O-CG2 3.47Å; V94-V98 PolarHBondContact O-N 2.82Å; K95-V98 PolarHBondContact O-N 2.94Å; I96-V98 PolarHBondContact O-N 2.9Å; V98-D100 VanDerWaalsContact C-N 3.33Å; V98-D100 PolarHBondContact O-N 3.36Å; V98-H101 PolarHBondContact O-N 2.91Å; V98-L102 HydrophobicContact CG1-CD1 3.84Å; V98-L102 HydrophobicContact CG1-CG 4.43Å; V98-L102 WeakPolarHBondContact O-CG 3.49Å; V98-L102 PolarHBondContact O-N 2.87Å; V98-I118 HydrophobicContact CB-CD1 4.37Å; V98-I118 HydrophobicContact CG1-CD1 4.18Å; V98-I118 HydrophobicContact CG2-CD1 4.46Å; V98-V152 HydrophobicContact CG2-CG1 4.14Å; V98-I155 HydrophobicContact CB-CG2 4.4Å; V98-I155 HydrophobicContact CG1-CG2 3.76Å; V98-I155 HydrophobicContact CG2-CB 3.92Å; V98-I155 HydrophobicContact CG2-CD1 4.2Å; V98-I155 HydrophobicContact CG2-CG2 3.69Å; V98-V156 HydrophobicContact CB-CG2 4.38Å; V98-V156 HydrophobicContact CG1-CG2 4.13Å; V98-V156 HydrophobicContact CG2-CG2 4.27Å; V98-I159 HydrophobicContact CG1-CD1 4.21Å
99	I	97.5	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-41.7	177.9	-64.8	-55.8	0	0	0	111.2	K95 I96 H101 L102 K103 V116	K95-I99 HydrophobicContact CG-CG1 4.5Å; K95-I99 WeakPolarHBondContact O-CG1 3.3Å; K95-I99 PolarHBondContact O-N 3.31Å; I96-I99 PolarHBondContact O-N 3.45Å; I99-H101 PolarHBondContact O-N 3.41Å; I99-L102 HydrophobicContact CD1-CD1 4.46Å; I99-L102 PolarHBondContact O-N 3.23Å; I99-K103 HydrophobicContact CG2-CD 4.11Å; I99-K103 HydrophobicContact CG2-CG 4.39Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 VanDerWaalsContact O-CG 3.31Å; I99-K103 WeakPolarHBondContact O-CG 2.99Å; I99-K103 PolarHBondContact O-N 2.65Å; I99-V116 HydrophobicContact CD1-CB 3.8Å; I99-V116 HydrophobicContact CD1-CG1 4.15Å; I99-V116 HydrophobicContact CD1-CG2 3.77Å
100	D	96.2	Very high	95.3	Very high	59 Å²	59	44 Å²	44	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-41.1	176.4	-72.2	-15.5	0	0	0	112.3	I96 K97 V98 N104	I96-D100 PolarHBondContact O-N 2.82Å; K97-D100 PolarHBondContact O-N 2.93Å; V98-D100 VanDerWaalsContact C-N 3.33Å; V98-D100 PolarHBondContact O-N 3.36Å; D100-N104 PolarHBondContact O-N 2.98Å; D100-N104 PolarHBondContact O-ND2 2.77Å; D100-N104 VanDerWaalsContact O-ND2 3.16Å
101	H	97.4	Very high	95.2	Very high	43 Å²	43	44 Å²	44	20%	0.199	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-43.7	175	-78.3	-159.9	0	0	0	111.9	K97 V98 I99 N104 R105 V156	K97-H101 VanDerWaalsContact CE-NE2 3.34Å; K97-H101 WeakPolarHBondContact CE-NE2 3.46Å; K97-H101 PolarHBondContact O-CD2 3.46Å; K97-H101 PolarHBondContact O-N 3.02Å; V98-H101 PolarHBondContact O-N 2.91Å; I99-H101 PolarHBondContact O-N 3.41Å; H101-N104 PolarHBondContact O-N 3.41Å; H101-R105 PolarHBondContact O-N 3.45Å; H101-V156 HydrophobicContact CB-CG1 4.34Å; H101-V156 HydrophobicContact CB-CG2 3.69Å
102	L	97.8	Very high	95.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-40.3	178.7	-69.6	168.7	0	0	0	112	V98 I99 N104 R105 Y106 F111 V156 I159	V98-L102 HydrophobicContact CG1-CD1 3.84Å; V98-L102 HydrophobicContact CG1-CG 4.43Å; V98-L102 WeakPolarHBondContact O-CG 3.49Å; V98-L102 PolarHBondContact O-N 2.87Å; I99-L102 HydrophobicContact CD1-CD1 4.46Å; I99-L102 PolarHBondContact O-N 3.23Å; L102-N104 PolarHBondContact O-N 2.67Å; L102-R105 PolarHBondContact O-N 3.41Å; L102-Y106 HydrophobicContact CD2-CD2 4.17Å; L102-Y106 HydrophobicContact CD2-CE2 3.97Å; L102-Y106 PolarHBondContact O-N 2.74Å; L102-F111 HydrophobicContact CB-CB 3.92Å; L102-F111 HydrophobicContact CB-CD2 4.11Å; L102-F111 HydrophobicContact CB-CG 4.37Å; L102-F111 HydrophobicContact CD1-CB 3.9Å; L102-F111 HydrophobicContact CD1-CD2 4.44Å; L102-F111 HydrophobicContact CD1-CG 4.17Å; L102-F111 HydrophobicContact CD2-CD2 4.09Å; L102-F111 HydrophobicContact CD2-CE2 4.48Å; L102-F111 HydrophobicContact CG-CB 4.46Å; L102-F111 HydrophobicContact CG-CD2 4.45Å; L102-V156 HydrophobicContact CD2-CG1 4.04Å; L102-I159 HydrophobicContact CD1-CD1 3.78Å; L102-I159 HydrophobicContact CD1-CG2 4.45Å; L102-I159 HydrophobicContact CD2-CB 4.31Å; L102-I159 HydrophobicContact CD2-CG2 3.85Å
103	K	95.5	Very high	95.3	Very high	82 Å²	82	46.4 Å²	46.4	36%	0.357	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-27.9	174.2	-75.7	171.9	-179.6	166.8	0	113.5	I99	I99-K103 HydrophobicContact CG2-CD 4.11Å; I99-K103 HydrophobicContact CG2-CG 4.39Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 VanDerWaalsContact O-CG 3.31Å; I99-K103 WeakPolarHBondContact O-CG 2.99Å; I99-K103 PolarHBondContact O-N 2.65Å
104	N	94.7	Very high	95.3	Very high	141 Å²	141	50.1 Å²	50.1	75%	0.754	25%	0.249	S	C	*	.	H	α-helix	trans	-82.7	-20.8	176	-68.7	-31.4	0	0	0	112.9	D100 H101 L102	D100-N104 PolarHBondContact O-N 2.98Å; D100-N104 PolarHBondContact O-ND2 2.77Å; D100-N104 VanDerWaalsContact O-ND2 3.16Å; H101-N104 PolarHBondContact O-N 3.41Å; L102-N104 PolarHBondContact O-N 2.67Å
105	R	94.9	Very high	95.3	Very high	115 Å²	115	50 Å²	50	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-95.1	-29.4	-179.3	-69.3	-174.1	-172.4	-173.1	5.2	113.4	H101 L102 V156 N157 D160	H101-R105 PolarHBondContact O-N 3.45Å; L102-R105 PolarHBondContact O-N 3.41Å; R105-V156 VanDerWaalsContact CZ-CG1 3.44Å; R105-V156 VanDerWaalsContact NH1-CG1 3.31Å; R105-N157 PolarHBondContact NH1-OD1 3.31Å; R105-D160 WeakPolarHBondContact CD-OD2 3.39Å; R105-D160 IonicContact CZ-OD2 3.93Å; R105-D160 IonicContact NE-OD2 3.52Å; R105-D160 IonicContact NH1-OD1 3.72Å; R105-D160 IonicContact NH1-OD2 3.95Å; R105-D160 PolarHBondContact NH1-OD2 3.15Å
106	Y	95.3	Very high	95.3	Very high	52 Å²	52	50 Å²	50	20%	0.204	25%	0.249	C	C	.	.	S	Bend	trans	-127	167.6	-172.6	-62.9	-80.5	0	0	0	112.2	L102 N108 L110 F111 D160 Y163	L102-Y106 HydrophobicContact CD2-CD2 4.17Å; L102-Y106 HydrophobicContact CD2-CE2 3.97Å; L102-Y106 PolarHBondContact O-N 2.74Å; Y106-N108 PolarHBondContact O-N 3.48Å; Y106-L110 HydrophobicContact CD1-CD2 3.97Å; Y106-L110 HydrophobicContact CG-CD2 4.12Å; Y106-F111 HydrophobicContact CD1-CE2 4.11Å; Y106-F111 AromaticContact CD2-CD2 3.63Å; Y106-F111 HydrophobicContact CD2-CD2 3.63Å; Y106-F111 AromaticContact CD2-CE2 3.47Å; Y106-F111 HydrophobicContact CD2-CE2 3.47Å; Y106-F111 VanDerWaalsContact CD2-CE2 3.47Å; Y106-F111 HydrophobicContact CE1-CE2 4.32Å; Y106-F111 HydrophobicContact CE2-CD2 4.21Å; Y106-F111 AromaticContact CE2-CE2 3.71Å; Y106-F111 HydrophobicContact CE2-CE2 3.71Å; Y106-F111 AromaticContact CG-CD2 3.95Å; Y106-F111 HydrophobicContact CG-CD2 3.95Å; Y106-F111 AromaticContact CG-CE2 3.69Å; Y106-F111 HydrophobicContact CG-CE2 3.69Å; Y106-D160 WeakPolarHBondContact CE2-OD1 3.26Å; Y106-D160 WeakPolarHBondContact OH-CA 3.25Å; Y106-D160 PolarHBondContact OH-OD1 3.07Å; Y106-Y163 HydrophobicContact CD1-CD1 4.39Å; Y106-Y163 HydrophobicContact CD1-CE1 4.16Å; Y106-Y163 AromaticContact CE1-CD1 3.51Å; Y106-Y163 HydrophobicContact CE1-CD1 3.51Å; Y106-Y163 AromaticContact CE1-CE1 3.67Å; Y106-Y163 HydrophobicContact CE1-CE1 3.67Å; Y106-Y163 HydrophobicContact CE1-CG 4.22Å
107	D	89.9	Confident	95.4	Very high	143 Å²	143	49.1 Å²	49.1	77%	0.765	24%	0.244	S	C	*	.			trans	-54.5	139.8	176.2	-71	-27.9	0	0	0	111.9	G109 L110	D107-G109 PolarHBondContact O-N 2.91Å; D107-G109 VanDerWaalsContact O-N 3.16Å; D107-L110 WeakPolarHBondContact O-CB 3.47Å; D107-L110 PolarHBondContact O-N 3.24Å
108	N	83.8	Confident	95.5	Very high	146 Å²	146	46.3 Å²	46.3	78%	0.781	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	122.1	-177.5	-173.9	25.5	0	0	0	110.5	Y106	Y106-N108 PolarHBondContact O-N 3.48Å
109	G	88.7	Confident	95.5	Very high	20 Å²	20	46.3 Å²	46.3	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-5	-178.9	0	0	0	0	0	115.1	Q78 D107	Q78-G109 PolarHBondContact NE2-O 3.21Å; D107-G109 PolarHBondContact O-N 2.91Å; D107-G109 VanDerWaalsContact O-N 3.16Å
110	L	95.2	Very high	95.6	Very high	30 Å²	30	46.3 Å²	46.3	16%	0.157	23%	0.232	C	C	.	.	S	Bend	trans	-65.7	-46	173.4	-175.2	65.4	0	0	0	111.3	P79 Y106 D107 N115 Y163	P79-L110 HydrophobicContact CG-CD1 4.06Å; P79-L110 HydrophobicContact CG-CG 4.48Å; Y106-L110 HydrophobicContact CD1-CD2 3.97Å; Y106-L110 HydrophobicContact CG-CD2 4.12Å; D107-L110 WeakPolarHBondContact O-CB 3.47Å; D107-L110 PolarHBondContact O-N 3.24Å; L110-N115 PolarHBondContact O-ND2 3.29Å; L110-Y163 HydrophobicContact CD2-CE2 4.02Å
111	F	96.9	Very high	95.7	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	22%	0.217	C	C	.	.	S	Bend	trans	-120	123.1	175.5	-59.5	-61.4	0	0	0	110.2	I70 P79 V81 L102 Y106 V116 I159 Y163	I70-F111 HydrophobicContact CD1-CE1 4.23Å; I70-F111 HydrophobicContact CD1-CZ 4.16Å; P79-F111 HydrophobicContact CG-CD1 4.35Å; P79-F111 HydrophobicContact CG-CE1 3.84Å; V81-F111 HydrophobicContact CG2-CD1 3.62Å; V81-F111 HydrophobicContact CG2-CE1 3.45Å; V81-F111 VanDerWaalsContact CG2-CE1 3.45Å; L102-F111 HydrophobicContact CB-CB 3.92Å; L102-F111 HydrophobicContact CB-CD2 4.11Å; L102-F111 HydrophobicContact CB-CG 4.37Å; L102-F111 HydrophobicContact CD1-CB 3.9Å; L102-F111 HydrophobicContact CD1-CD2 4.44Å; L102-F111 HydrophobicContact CD1-CG 4.17Å; L102-F111 HydrophobicContact CD2-CD2 4.09Å; L102-F111 HydrophobicContact CD2-CE2 4.48Å; L102-F111 HydrophobicContact CG-CB 4.46Å; L102-F111 HydrophobicContact CG-CD2 4.45Å; Y106-F111 HydrophobicContact CD1-CE2 4.11Å; Y106-F111 AromaticContact CD2-CD2 3.63Å; Y106-F111 HydrophobicContact CD2-CD2 3.63Å; Y106-F111 AromaticContact CD2-CE2 3.47Å; Y106-F111 HydrophobicContact CD2-CE2 3.47Å; Y106-F111 VanDerWaalsContact CD2-CE2 3.47Å; Y106-F111 HydrophobicContact CE1-CE2 4.32Å; Y106-F111 HydrophobicContact CE2-CD2 4.21Å; Y106-F111 AromaticContact CE2-CE2 3.71Å; Y106-F111 HydrophobicContact CE2-CE2 3.71Å; Y106-F111 AromaticContact CG-CD2 3.95Å; Y106-F111 HydrophobicContact CG-CD2 3.95Å; Y106-F111 AromaticContact CG-CE2 3.69Å; Y106-F111 HydrophobicContact CG-CE2 3.69Å; F111-V116 HydrophobicContact CB-CG2 4.04Å; F111-V116 HydrophobicContact CD1-CG2 4.16Å; F111-I159 HydrophobicContact CE1-CG2 4.39Å; F111-I159 HydrophobicContact CZ-CG2 4.22Å; F111-Y163 AromaticContact CZ-CD2 3.78Å; F111-Y163 HydrophobicContact CZ-CD2 3.78Å; F111-Y163 HydrophobicContact CZ-CE2 4.2Å; F111-Y163 HydrophobicContact CZ-CG 4.31Å
112	T	96.5	Very high	95.8	Very high	25 Å²	25	41.6 Å²	41.6	15%	0.153	21%	0.208	C	C	.	.			trans	-139.5	169.8	-175	73.2	0	0	0	0	110.2	Q114 N115 V116	T112-Q114 PolarHBondContact O-N 2.96Å; T112-Q114 VanDerWaalsContact O-N 3.13Å; T112-Q114 PolarHBondContact OG1-N 2.85Å; T112-Q114 VanDerWaalsContact OG1-N 3.15Å; T112-N115 WeakPolarHBondContact CA-OD1 2.98Å; T112-N115 PolarHBondContact N-OD1 2.93Å; T112-N115 PolarHBondContact O-N 2.82Å; T112-N115 PolarHBondContact O-OD1 3.48Å; T112-N115 VanDerWaalsContact O-OD1 3.1Å; T112-N115 PolarHBondContact OG1-OD1 2.99Å; T112-V116 WeakPolarHBondContact O-CB 3.37Å; T112-V116 WeakPolarHBondContact O-CG2 3.34Å; T112-V116 PolarHBondContact O-N 2.91Å; T112-V116 VanDerWaalsContact O-N 3.15Å
113	H	95.8	Very high	95.8	Very high	31 Å²	31	41.6 Å²	41.6	14%	0.144	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.9	170.9	-74.5	-91	0	0	0	112.9	K95 H354 F356 E448 Q450	K95-H113 PolarHBondContact NZ-O 3.4Å; H113-H354 PolarHBondContact O-CD2 2.77Å; H113-F356 HydrophobicContact CB-CZ 4.47Å; H113-F356 AromaticContact ND1-CZ 3.75Å; H113-E448 IonicContact ND1-OE2 3.23Å; H113-Q450 PolarHBondContact O-NE2 3.45Å; H113-Q450 VanDerWaalsContact O-NE2 3.16Å
114	Q	96.8	Very high	96	Very high	82 Å²	82	38.3 Å²	38.3	38%	0.383	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-36.1	-173.7	-50.6	-175.4	36.5	0	0	113.2	T112 F352 H354 Q450	T112-Q114 PolarHBondContact O-N 2.96Å; T112-Q114 VanDerWaalsContact O-N 3.13Å; T112-Q114 PolarHBondContact OG1-N 2.85Å; T112-Q114 VanDerWaalsContact OG1-N 3.15Å; Q114-F352 HydrophobicContact CB-CD2 3.45Å; Q114-F352 VanDerWaalsContact CB-CD2 3.45Å; Q114-F352 HydrophobicContact CB-CE2 3.49Å; Q114-F352 VanDerWaalsContact CB-CE2 3.49Å; Q114-F352 HydrophobicContact CG-CE2 4.47Å; Q114-F352 WeakPolarHBondContact O-CB 3.43Å; Q114-H354 HydrophobicContact CB-CB 3.87Å; Q114-H354 HydrophobicContact CG-CB 3.97Å; Q114-Q450 VanDerWaalsContact C-NE2 3.31Å; Q114-Q450 PolarHBondContact O-NE2 2.8Å
115	N	97.8	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.3	-172.6	70.7	-40	0	0	0	114.3	P79 I80 V81 L110 T112 F352	P79-N115 VanDerWaalsContact O-CB 3.31Å; P79-N115 WeakPolarHBondContact O-CB 3.05Å; P79-N115 PolarHBondContact O-ND2 3.08Å; I80-N115 CarbonylContact C-O 3.53Å; I80-N115 WeakPolarHBondContact CA-O 2.92Å; V81-N115 PolarHBondContact N-O 3.43Å; L110-N115 PolarHBondContact O-ND2 3.29Å; T112-N115 WeakPolarHBondContact CA-OD1 2.98Å; T112-N115 PolarHBondContact N-OD1 2.93Å; T112-N115 PolarHBondContact O-N 2.82Å; T112-N115 PolarHBondContact O-OD1 3.48Å; T112-N115 VanDerWaalsContact O-OD1 3.1Å; T112-N115 PolarHBondContact OG1-OD1 2.99Å; N115-F352 HydrophobicContact CB-CD1 3.44Å; N115-F352 VanDerWaalsContact CB-CD1 3.44Å; N115-F352 HydrophobicContact CB-CD2 4.14Å; N115-F352 HydrophobicContact CB-CE1 3.51Å; N115-F352 HydrophobicContact CB-CE2 4.19Å; N115-F352 HydrophobicContact CB-CG 3.77Å; N115-F352 HydrophobicContact CB-CZ 3.88Å
116	V	98.7	Very high	96.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.5	172.2	-179.5	0	0	0	0	109.1	V81 K95 I99 F111 T112 I118 Q450	V81-V116 HydrophobicContact CB-CB 4.45Å; V81-V116 HydrophobicContact CB-CG1 4.38Å; V81-V116 HydrophobicContact CB-CG2 4.15Å; V81-V116 HydrophobicContact CG2-CG2 4.12Å; K95-V116 WeakPolarHBondContact CE-O 3.44Å; K95-V116 PolarHBondContact NZ-O 3.29Å; I99-V116 HydrophobicContact CD1-CB 3.8Å; I99-V116 HydrophobicContact CD1-CG1 4.15Å; I99-V116 HydrophobicContact CD1-CG2 3.77Å; F111-V116 HydrophobicContact CB-CG2 4.04Å; F111-V116 HydrophobicContact CD1-CG2 4.16Å; T112-V116 WeakPolarHBondContact O-CB 3.37Å; T112-V116 WeakPolarHBondContact O-CG2 3.34Å; T112-V116 PolarHBondContact O-N 2.91Å; T112-V116 VanDerWaalsContact O-N 3.15Å; V116-I118 HydrophobicContact CG1-CD1 4.43Å; V116-I118 HydrophobicContact CG1-CG1 4.05Å; V116-Q450 PolarHBondContact O-NE2 3.38Å; V116-Q450 PolarHBondContact O-OE1 3.35Å
117	L	98.8	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.9	173.4	-173.9	167.8	0	0	0	108	V81 I82 V83 V452 I459 A461	V81-L117 PolarHBondContact O-N 3.36Å; I82-L117 HydrophobicContact CG2-CD2 4.46Å; V83-L117 PolarHBondContact N-O 3.49Å; L117-V452 HydrophobicContact CD1-CG2 4.1Å; L117-I459 HydrophobicContact CD1-CG2 4.06Å; L117-A461 HydrophobicContact CD1-CB 3.77Å; L117-A461 HydrophobicContact CG-CB 3.94Å
118	I	98.9	Very high	96.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.2	173.8	-52	175.1	0	0	0	107.3	V83 I85 V90 K95 V98 V116 I155 S505 N506	V83-I118 HydrophobicContact CB-CG1 4.27Å; V83-I118 HydrophobicContact CB-CG2 4.32Å; V83-I118 HydrophobicContact CG2-CG1 4.45Å; V83-I118 CarbonylContact O-C 3.59Å; V83-I118 WeakPolarHBondContact O-CA 3.37Å; I85-I118 HydrophobicContact CD1-CG2 4.36Å; I85-I118 HydrophobicContact CG2-CG2 4.25Å; V90-I118 HydrophobicContact CG1-CB 4.15Å; V90-I118 HydrophobicContact CG1-CG2 4Å; V90-I118 HydrophobicContact CG2-CB 4.45Å; V90-I118 HydrophobicContact CG2-CG2 3.88Å; K95-I118 HydrophobicContact CB-CD1 4.32Å; K95-I118 HydrophobicContact CG-CD1 4.2Å; V98-I118 HydrophobicContact CB-CD1 4.37Å; V98-I118 HydrophobicContact CG1-CD1 4.18Å; V98-I118 HydrophobicContact CG2-CD1 4.46Å; V116-I118 HydrophobicContact CG1-CD1 4.43Å; V116-I118 HydrophobicContact CG1-CG1 4.05Å; I118-I155 HydrophobicContact CD1-CG2 4.21Å; I118-I155 HydrophobicContact CG2-CD1 4.47Å; I118-S505 CarbonylContact O-C 3.51Å; I118-S505 WeakPolarHBondContact O-CA 3.37Å; I118-N506 PolarHBondContact N-OD1 3.41Å; I118-N506 VanDerWaalsContact N-OD1 3.12Å; I118-N506 PolarHBondContact O-N 3.29Å; I118-N506 PolarHBondContact O-OD1 3.03Å
119	S	98.9	Very high	97.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.5	-179.8	171.5	0	0	0	0	110	V83 I84 I85 S502 G503 S505	V83-S119 PolarHBondContact O-N 3.15Å; I84-S119 CarbonylContact C-O 3.57Å; I84-S119 WeakPolarHBondContact CA-O 3.39Å; I85-S119 WeakPolarHBondContact CG1-O 3.48Å; I85-S119 PolarHBondContact N-O 2.96Å; S119-S502 WeakPolarHBondContact CB-OG 3.47Å; S119-S502 PolarHBondContact OG-OG 3.33Å; S119-G503 PolarHBondContact OG-O 2.59Å; S119-S505 WeakPolarHBondContact CB-OG 3.31Å
120	A	98.9	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.8	-177.9	0	0	0	0	0	112.4	I85 V90 H122 Q275 L504	I85-A120 HydrophobicContact CD1-CB 4.44Å; I85-A120 HydrophobicContact CG1-CB 3.96Å; I85-A120 CarbonylContact O-C 3.37Å; I85-A120 WeakPolarHBondContact O-CA 3.48Å; V90-A120 HydrophobicContact CG2-CB 3.99Å; A120-H122 PolarHBondContact O-N 3.47Å; A120-Q275 WeakPolarHBondContact O-CG 3.45Å; A120-L504 HydrophobicContact CB-CB 4.15Å; A120-L504 PolarHBondContact N-O 2.61Å
121	T	98.9	Very high	97.8	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	4%	0.044	C	C	.	.			trans	-72.3	-12	172.9	63.7	0	0	0	0	113.3	I84 I85 D86 A232 K247 F273 Q275	I84-T121 HydrophobicContact CG2-CG2 3.74Å; I85-T121 PolarHBondContact O-N 2.94Å; D86-T121 WeakPolarHBondContact CA-OG1 3.28Å; D86-T121 VanDerWaalsContact OD1-CG2 3.3Å; D86-T121 WeakPolarHBondContact OD1-CG2 3.46Å; D86-T121 PolarHBondContact OD1-OG1 2.94Å; T121-A232 WeakPolarHBondContact O-CB 3.37Å; T121-K247 HydrophobicContact CG2-CB 4.4Å; T121-F273 WeakPolarHBondContact CG2-O 3.39Å; T121-Q275 WeakPolarHBondContact O-CG 3.48Å; T121-Q275 PolarHBondContact O-NE2 2.77Å
122	H	98.8	Very high	97.7	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.009	4%	0.044	C	C	.	.			trans	68.3	29.9	-180	-160.7	38.3	0	0	0	114.8	A87 G88 A120 H124 H231 A232 Q275 E465 L504	A87-H122 VanDerWaalsContact O-CA 3.28Å; A87-H122 WeakPolarHBondContact O-CA 3.43Å; A87-H122 PolarHBondContact O-N 3.46Å; G88-H122 WeakPolarHBondContact O-CA 3.46Å; G88-H122 PolarHBondContact O-ND1 2.85Å; A120-H122 PolarHBondContact O-N 3.47Å; H122-H124 AromaticContact CD2-CE1 3.94Å; H122-H124 AromaticContact CE1-CE1 3.38Å; H122-H124 PolarHBondContact CE1-CE1 3.47Å; H122-H124 AromaticContact ND1-CE1 3.77Å; H122-H124 AromaticContact NE2-CE1 3.42Å; H122-H124 PolarHBondContact NE2-CE1 3.38Å; H122-H124 PolarHBondContact O-N 3.05Å; H122-H124 PolarHBondContact O-ND1 3.39Å; H122-H231 AromaticContact CD2-CD2 3.25Å; H122-H231 PolarHBondContact CD2-CD2 3.32Å; H122-H231 AromaticContact CD2-NE2 3.36Å; H122-H231 PolarHBondContact CD2-NE2 2.84Å; H122-H231 AromaticContact NE2-CD2 3.28Å; H122-H231 PolarHBondContact NE2-CD2 3.02Å; H122-H231 VanDerWaalsContact NE2-CD2 3.28Å; H122-H231 AromaticContact NE2-NE2 3.1Å; H122-H231 PolarHBondContact NE2-NE2 3.32Å; H122-A232 WeakPolarHBondContact O-CB 3.4Å; H122-Q275 HydrophobicContact CB-CG 4.02Å; H122-E465 IonicContact CD2-OE2 3.65Å; H122-E465 VanDerWaalsContact CE1-CD 3.48Å; H122-E465 IonicContact CE1-OE1 3.41Å; H122-E465 PolarHBondContact CE1-OE1 3.11Å; H122-E465 IonicContact CE1-OE2 3.48Å; H122-E465 IonicContact NE2-OE1 3.95Å; H122-E465 PolarHBondContact NE2-OE1 2.61Å; H122-E465 IonicContact NE2-OE2 2.64Å; H122-E465 PolarHBondContact NE2-OE2 3.3Å; H122-L504 HydrophobicContact CB-CD1 3.88Å; H122-L504 HydrophobicContact CB-CD2 3.68Å; H122-L504 HydrophobicContact CB-CG 4.46Å; H122-L504 VanDerWaalsContact CG-CD2 3.42Å; H122-L504 WeakPolarHBondContact ND1-CD2 3.43Å
123	T	98.8	Very high	97.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	-61.7	128.6	173.2	174.7	0	0	0	0	110.6	L64 A87 G88 S125 S243	L64-T123 HydrophobicContact CD2-CG2 4.49Å; A87-T123 PolarHBondContact O-N 3.08Å; G88-T123 WeakPolarHBondContact CA-O 3.34Å; G88-T123 PolarHBondContact N-O 2.57Å; T123-S125 PolarHBondContact O-N 2.99Å; T123-S125 PolarHBondContact OG1-N 3.4Å; T123-S125 VanDerWaalsContact OG1-N 3.12Å; T123-S243 PolarHBondContact OG1-O 3.29Å
124	H	98.7	Very high	97.6	Very high	13 Å²	13	6.4 Å²	6.4	6%	0.06	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	14.5	173.7	-75.3	40.4	0	0	0	113.2	M48 G49 Y50 H122 A232 V233	M48-H124 CarbonylContact O-C 3.59Å; M48-H124 VanDerWaalsContact O-CA 3.26Å; M48-H124 WeakPolarHBondContact O-CA 3.23Å; G49-H124 VanDerWaalsContact CA-CD2 3.41Å; G49-H124 WeakPolarHBondContact CA-CD2 3.25Å; Y50-H124 AromaticContact CD1-CD2 3.88Å; Y50-H124 HydrophobicContact CD2-CB 3.77Å; Y50-H124 AromaticContact CE1-CD2 3.9Å; Y50-H124 HydrophobicContact CE2-CB 3.4Å; Y50-H124 VanDerWaalsContact CE2-CB 3.4Å; Y50-H124 HydrophobicContact CG-CB 4.48Å; H122-H124 AromaticContact CD2-CE1 3.94Å; H122-H124 AromaticContact CE1-CE1 3.38Å; H122-H124 PolarHBondContact CE1-CE1 3.47Å; H122-H124 AromaticContact ND1-CE1 3.77Å; H122-H124 AromaticContact NE2-CE1 3.42Å; H122-H124 PolarHBondContact NE2-CE1 3.38Å; H122-H124 PolarHBondContact O-N 3.05Å; H122-H124 PolarHBondContact O-ND1 3.39Å; H124-A232 PolarHBondContact N-O 3.32Å; H124-A232 VanDerWaalsContact N-O 3.14Å; H124-V233 HydrophobicContact CB-CG1 4.09Å
125	S	98.7	Very high	97.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	26.9	-176.2	-66.1	0	0	0	0	112.9	M47 T123 M235 N239 V242 S243	M47-S125 VanDerWaalsContact CE-C 3.41Å; M47-S125 VanDerWaalsContact CE-O 3.26Å; M47-S125 WeakPolarHBondContact CE-O 3.22Å; T123-S125 PolarHBondContact O-N 2.99Å; T123-S125 PolarHBondContact OG1-N 3.4Å; T123-S125 VanDerWaalsContact OG1-N 3.12Å; S125-M235 WeakPolarHBondContact OG-CB 3.23Å; S125-N239 WeakPolarHBondContact CB-ND2 3.38Å; S125-N239 PolarHBondContact OG-ND2 3.42Å; S125-V242 CarbonylContact O-C 3.56Å; S125-V242 VanDerWaalsContact O-CA 3.26Å; S125-V242 WeakPolarHBondContact O-CA 3.48Å; S125-S243 CarbonylContact C-O 3.55Å; S125-S243 WeakPolarHBondContact CB-O 3.34Å; S125-S243 PolarHBondContact O-N 3.09Å
126	G	98.3	Very high	97.2	Very high	3 Å²	3	4.5 Å²	4.5	3%	0.031	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	155.2	170	0	0	0	0	0	112.4	M47 M48	M47-G126 CarbonylContact C-O 3.57Å; M47-G126 WeakPolarHBondContact CA-O 3.32Å; M48-G126 PolarHBondContact N-O 2.93Å
127	P	97.9	Very high	96.9	Very high	6 Å²	6	4.6 Å²	4.6	4%	0.039	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144	176.2	27.9	-34.7	0	0	0	111.2	P41 I45 Y130 T147	P41-P127 HydrophobicContact CG-CB 4.24Å; I45-P127 HydrophobicContact CG2-CB 4Å; P127-Y130 WeakPolarHBondContact O-CE1 3.35Å; P127-T147 HydrophobicContact CB-CG2 4.21Å; P127-T147 HydrophobicContact CG-CG2 3.96Å
128	A	97.6	Very high	96.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.			trans	-88.3	-166.2	179.1	0	0	0	0	0	113	N46 M48 S140 T147	N46-A128 WeakPolarHBondContact O-CB 3.39Å; N46-A128 PolarHBondContact O-N 2.88Å; M48-A128 HydrophobicContact CB-CB 3.8Å; M48-A128 HydrophobicContact CG-CB 4.45Å; M48-A128 HydrophobicContact SD-CB 3.99Å; A128-S140 VanDerWaalsContact CB-CB 3.48Å; A128-T147 WeakPolarHBondContact O-CB 3.36Å; A128-T147 VanDerWaalsContact O-CG2 3.31Å; A128-T147 WeakPolarHBondContact O-CG2 3.39Å; A128-T147 PolarHBondContact O-OG1 3.27Å
129	G	96.3	Very high	95.8	Very high	2 Å²	2	10.7 Å²	10.7	2%	0.021	5%	0.052	C	C	.	.			trans	87.3	21.1	174	0	0	0	0	0	116.1	G142 Y143 V144	G129-G142 WeakPolarHBondContact CA-O 3.39Å; G129-Y143 WeakPolarHBondContact O-CA 3.2Å; G129-Y143 WeakPolarHBondContact O-CD2 3.2Å; G129-V144 PolarHBondContact O-N 3.24Å
130	Y	97.1	Very high	95.3	Very high	6 Å²	6	10.8 Å²	10.8	2%	0.024	5%	0.053	C	C	.	.			trans	-118	-1.3	178.9	62	-94.4	0	0	0	114.1	M48 G88 M89 S91 V94 P127 T147 L151	M48-Y130 HydrophobicContact CB-CE1 4.32Å; M48-Y130 HydrophobicContact CG-CE1 4.29Å; G88-Y130 PolarHBondContact N-OH 2.81Å; M89-Y130 PolarHBondContact N-OH 2.71Å; M89-Y130 VanDerWaalsContact O-CE2 3.27Å; M89-Y130 WeakPolarHBondContact O-CE2 3.46Å; M89-Y130 PolarHBondContact O-OH 2.95Å; S91-Y130 VanDerWaalsContact CB-O 3.22Å; S91-Y130 WeakPolarHBondContact CB-O 3.45Å; S91-Y130 PolarHBondContact OG-O 3.04Å; V94-Y130 HydrophobicContact CG2-CD2 4.39Å; P127-Y130 WeakPolarHBondContact O-CE1 3.35Å; Y130-T147 HydrophobicContact CD1-CG2 3.74Å; Y130-T147 HydrophobicContact CG-CG2 4.47Å; Y130-L151 HydrophobicContact CD1-CD2 4.41Å; Y130-L151 HydrophobicContact CD2-CD2 3.83Å; Y130-L151 HydrophobicContact CE2-CD2 4.37Å; Y130-L151 HydrophobicContact CG-CD2 3.86Å
131	L	95.9	Very high	94.9	Very high	7 Å²	7	14.9 Å²	14.9	4%	0.037	8%	0.075	C	C	.	.			trans	-89	141.4	175.4	-68.7	161.5	0	0	0	109.6	M48 M89 Y136 S137	M48-L131 HydrophobicContact SD-CD1 3.69Å; M89-L131 HydrophobicContact CE-CD1 4.42Å; M89-L131 HydrophobicContact CG-CD1 3.82Å; M89-L131 HydrophobicContact CG-CD2 3.95Å; M89-L131 HydrophobicContact CG-CG 4.42Å; M89-L131 HydrophobicContact SD-CD1 3.92Å; L131-Y136 HydrophobicContact CB-CD2 4.44Å; L131-Y136 VanDerWaalsContact CD1-CB 3.47Å; L131-Y136 HydrophobicContact CD1-CD2 4.34Å; L131-Y136 HydrophobicContact CD1-CG 4.07Å; L131-S137 PolarHBondContact O-OG 3.47Å; L131-S137 VanDerWaalsContact O-OG 3.12Å
132	Q	94.8	Very high	94.6	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.014	7%	0.074	C	C	.	.			trans	-92.8	-8.9	-174.2	68.4	169.9	-18.9	0	0	115.3	A93 Y440 P562 F564 Q568	A93-Q132 HydrophobicContact CB-CB 3.79Å; A93-Q132 HydrophobicContact CB-CG 4.05Å; Q132-Y440 WeakPolarHBondContact O-CD2 3.05Å; Q132-Y440 WeakPolarHBondContact O-CE2 2.94Å; Q132-P562 PolarHBondContact NE2-O 2.86Å; Q132-F564 HydrophobicContact CB-CD2 4.49Å; Q132-F564 HydrophobicContact CG-CD2 4.15Å; Q132-Q568 PolarHBondContact O-NE2 3.4Å
133	Y	95.3	Very high	94.4	Very high	6 Å²	6	16 Å²	16	2%	0.024	8%	0.079	C	C	.	.	S	Bend	trans	-99.4	135.1	-175.8	-69.5	-77.8	0	0	0	110.1	Q92 L135 Y136 P441 W442 Q443 P444 P562 F564	Q92-Y133 PolarHBondContact OE1-OH 2.73Å; Y133-L135 VanDerWaalsContact C-N 3.28Å; Y133-L135 PolarHBondContact O-N 3.14Å; Y133-L135 VanDerWaalsContact O-N 3.13Å; Y133-Y136 PolarHBondContact O-N 3.41Å; Y133-Y136 VanDerWaalsContact O-N 3.1Å; Y133-P441 HydrophobicContact CD1-CB 4.26Å; Y133-P441 WeakPolarHBondContact CD1-O 3.2Å; Y133-P441 HydrophobicContact CE1-CB 4.28Å; Y133-W442 WeakPolarHBondContact CB-O 3.43Å; Y133-Q443 VanDerWaalsContact CD1-C 3.42Å; Y133-P444 HydrophobicContact CD2-CB 4.36Å; Y133-P444 HydrophobicContact CD2-CG 4.45Å; Y133-P444 VanDerWaalsContact CE1-CA 3.48Å; Y133-P444 HydrophobicContact CE1-CB 4.1Å; Y133-P444 HydrophobicContact CE2-CB 3.66Å; Y133-P444 HydrophobicContact CE2-CG 4.16Å; Y133-P444 VanDerWaalsContact CZ-CA 3.43Å; Y133-P562 WeakPolarHBondContact OH-CG 2.72Å; Y133-F564 HydrophobicContact CD1-CE2 4.18Å; Y133-F564 AromaticContact CE1-CE2 3.69Å; Y133-F564 HydrophobicContact CE1-CE2 3.69Å
134	V	94.3	Very high	94.3	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.024	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-54.4	-41.6	-166	-176.2	0	0	0	0	112.7	Y136 S137 F138 P439 Y440 P441 W442	V134-Y136 PolarHBondContact O-N 2.83Å; V134-S137 PolarHBondContact O-N 2.82Å; V134-F138 HydrophobicContact CG1-CE1 4.35Å; V134-F138 HydrophobicContact CG1-CE2 3.86Å; V134-F138 HydrophobicContact CG1-CZ 3.66Å; V134-F138 WeakPolarHBondContact O-CD2 3.1Å; V134-F138 PolarHBondContact O-N 3.12Å; V134-P439 HydrophobicContact CG2-CG 4.25Å; V134-Y440 HydrophobicContact CB-CE2 4.19Å; V134-Y440 HydrophobicContact CG2-CD2 3.42Å; V134-Y440 VanDerWaalsContact CG2-CD2 3.42Å; V134-Y440 HydrophobicContact CG2-CE1 4.46Å; V134-Y440 HydrophobicContact CG2-CE2 3.23Å; V134-Y440 HydrophobicContact CG2-CG 4.1Å; V134-Y440 VanDerWaalsContact CG2-O 3.29Å; V134-Y440 WeakPolarHBondContact CG2-O 2.99Å; V134-P441 PolarHBondContact N-O 3.38Å; V134-W442 HydrophobicContact CB-CB 4.37Å; V134-W442 HydrophobicContact CB-CD2 4.16Å; V134-W442 HydrophobicContact CB-CG 3.81Å; V134-W442 HydrophobicContact CG1-CD2 4.17Å; V134-W442 HydrophobicContact CG1-CG 4.33Å; V134-W442 HydrophobicContact CG1-CZ2 4.3Å; V134-W442 HydrophobicContact CG2-CG 4.31Å
135	L	93.6	Very high	94.1	Very high	23 Å²	23	17.3 Å²	17.3	12%	0.12	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-55.9	-39.7	-175.8	-176.5	70.7	0	0	0	112.1	Y133 S137 F138 M378 T433 W442 Q443	Y133-L135 VanDerWaalsContact C-N 3.28Å; Y133-L135 PolarHBondContact O-N 3.14Å; Y133-L135 VanDerWaalsContact O-N 3.13Å; L135-S137 VanDerWaalsContact C-N 3.29Å; L135-S137 PolarHBondContact O-N 2.94Å; L135-F138 HydrophobicContact CD1-CD2 4.36Å; L135-F138 HydrophobicContact CD1-CE2 4.45Å; L135-F138 WeakPolarHBondContact O-CD2 3.48Å; L135-M378 HydrophobicContact CD2-CE 3.65Å; L135-M378 HydrophobicContact CD2-CG 3.98Å; L135-T433 HydrophobicContact CD2-CG2 4.27Å; L135-W442 WeakPolarHBondContact CB-O 3.5Å; L135-W442 HydrophobicContact CD1-CE3 4.48Å; L135-W442 PolarHBondContact N-O 3.39Å; L135-W442 VanDerWaalsContact N-O 3.11Å; L135-Q443 HydrophobicContact CB-CG 4.07Å; L135-Q443 VanDerWaalsContact CD2-CD 3.42Å; L135-Q443 HydrophobicContact CD2-CG 3.69Å
136	Y	93.3	Very high	94	Very high	18 Å²	18	22.9 Å²	22.9	7%	0.071	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-85	-5.7	-174.6	-48	-51.7	0	0	0	113.5	L131 Y133 V134 Q443 Y508 S510	L131-Y136 HydrophobicContact CB-CD2 4.44Å; L131-Y136 VanDerWaalsContact CD1-CB 3.47Å; L131-Y136 HydrophobicContact CD1-CD2 4.34Å; L131-Y136 HydrophobicContact CD1-CG 4.07Å; Y133-Y136 PolarHBondContact O-N 3.41Å; Y133-Y136 VanDerWaalsContact O-N 3.1Å; V134-Y136 PolarHBondContact O-N 2.83Å; Y136-Q443 PolarHBondContact OH-NE2 3.21Å; Y136-Y508 HydrophobicContact CD1-CD1 4.37Å; Y136-Y508 HydrophobicContact CD1-CE1 4.24Å; Y136-Y508 HydrophobicContact CD2-CD1 4.44Å; Y136-Y508 AromaticContact CE1-CD1 3.87Å; Y136-Y508 HydrophobicContact CE1-CD1 3.87Å; Y136-Y508 AromaticContact CE1-CE1 3.67Å; Y136-Y508 HydrophobicContact CE1-CE1 3.67Å; Y136-Y508 AromaticContact CE2-CD1 3.93Å; Y136-Y508 HydrophobicContact CE2-CD1 3.93Å; Y136-Y508 AromaticContact CZ-CD1 3.62Å; Y136-Y508 AromaticContact CZ-CE1 3.85Å; Y136-S510 PolarHBondContact OH-OG 3.3Å
137	S	91.4	Very high	93.9	Very high	2 Å²	2	23 Å²	23	1%	0.014	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-104.1	-0.7	-179.6	-55.4	0	0	0	0	112.9	L131 V134 L135 S140 L141 G142	L131-S137 PolarHBondContact O-OG 3.47Å; L131-S137 VanDerWaalsContact O-OG 3.12Å; V134-S137 PolarHBondContact O-N 2.82Å; L135-S137 VanDerWaalsContact C-N 3.29Å; L135-S137 PolarHBondContact O-N 2.94Å; S137-S140 WeakPolarHBondContact CA-OG 3.46Å; S137-S140 PolarHBondContact O-OG 3.12Å; S137-S140 VanDerWaalsContact O-OG 3.14Å; S137-L141 PolarHBondContact O-N 2.99Å; S137-G142 PolarHBondContact O-N 3.42Å
138	F	87.6	Confident	93.9	Very high	102 Å²	102	23 Å²	23	45%	0.447	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-50.6	-178.6	-85.8	-62.7	0	0	0	113	V134 L135 S140 L141 W442	V134-F138 HydrophobicContact CG1-CE1 4.35Å; V134-F138 HydrophobicContact CG1-CE2 3.86Å; V134-F138 HydrophobicContact CG1-CZ 3.66Å; V134-F138 WeakPolarHBondContact O-CD2 3.1Å; V134-F138 PolarHBondContact O-N 3.12Å; L135-F138 HydrophobicContact CD1-CD2 4.36Å; L135-F138 HydrophobicContact CD1-CE2 4.45Å; L135-F138 WeakPolarHBondContact O-CD2 3.48Å; F138-S140 VanDerWaalsContact C-N 3.34Å; F138-L141 PolarHBondContact O-N 2.92Å; F138-W442 HydrophobicContact CE1-CH2 4.41Å; F138-W442 HydrophobicContact CE2-CD2 4.33Å; F138-W442 AromaticContact CE2-CE3 3.76Å; F138-W442 HydrophobicContact CE2-CE3 3.76Å; F138-W442 AromaticContact CE2-CH2 3.68Å; F138-W442 HydrophobicContact CE2-CH2 3.68Å; F138-W442 HydrophobicContact CE2-CZ2 4.23Å; F138-W442 AromaticContact CE2-CZ3 3.42Å; F138-W442 HydrophobicContact CE2-CZ3 3.42Å; F138-W442 VanDerWaalsContact CE2-CZ3 3.42Å; F138-W442 HydrophobicContact CZ-CE3 4.18Å; F138-W442 AromaticContact CZ-CH2 3.28Å; F138-W442 HydrophobicContact CZ-CH2 3.28Å; F138-W442 AromaticContact CZ-CZ2 3.65Å; F138-W442 HydrophobicContact CZ-CZ2 3.65Å; F138-W442 AromaticContact CZ-CZ3 3.57Å; F138-W442 HydrophobicContact CZ-CZ3 3.57Å
139	T	86.9	Confident	93.9	Very high	26 Å²	26	28.1 Å²	28.1	16%	0.16	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-27.3	-175.6	64.6	0	0	0	0	112.4	N46 M53 L141	N46-T139 WeakPolarHBondContact CB-O 3.35Å; N46-T139 VanDerWaalsContact CG-O 3.24Å; N46-T139 WeakPolarHBondContact OD1-CB 3.15Å; N46-T139 PolarHBondContact OD1-O 3.4Å; N46-T139 PolarHBondContact OD1-OG1 3.34Å; M53-T139 HydrophobicContact CG-CG2 4.24Å; T139-L141 PolarHBondContact O-N 2.71Å
140	S	87.9	Confident	94	Very high	3 Å²	3	30 Å²	30	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.4	173.3	70	0	0	0	0	114.1	A128 S137 F138 G142 V572	A128-S140 VanDerWaalsContact CB-CB 3.48Å; S137-S140 WeakPolarHBondContact CA-OG 3.46Å; S137-S140 PolarHBondContact O-OG 3.12Å; S137-S140 VanDerWaalsContact O-OG 3.14Å; F138-S140 VanDerWaalsContact C-N 3.34Å; S140-G142 PolarHBondContact O-N 3.07Å; S140-G142 PolarHBondContact OG-O 2.7Å; S140-V572 VanDerWaalsContact O-CG2 3.3Å; S140-V572 WeakPolarHBondContact O-CG2 3.49Å
141	L	91.4	Very high	94	Very high	85 Å²	85	30.1 Å²	30.1	45%	0.445	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.6	-174.7	-54.7	179.4	0	0	0	113	S137 F138 T139 F571 V572	S137-L141 PolarHBondContact O-N 2.99Å; F138-L141 PolarHBondContact O-N 2.92Å; T139-L141 PolarHBondContact O-N 2.71Å; L141-F571 HydrophobicContact CB-CB 4.15Å; L141-F571 PolarHBondContact O-N 3.09Å; L141-V572 HydrophobicContact CB-CG2 4.11Å
142	G	92.6	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	107.9	-159.7	179.8	0	0	0	0	0	114.4	G129 S137 S140 F569	G129-G142 WeakPolarHBondContact CA-O 3.39Å; S137-G142 PolarHBondContact O-N 3.42Å; S140-G142 PolarHBondContact O-N 3.07Å; S140-G142 PolarHBondContact OG-O 2.7Å; G142-F569 CarbonylContact C-O 3.5Å; G142-F569 VanDerWaalsContact CA-O 3.3Å; G142-F569 WeakPolarHBondContact CA-O 3.15Å
143	Y	94.8	Very high	94.4	Very high	27 Å²	27	34.4 Å²	34.4	11%	0.106	17%	0.171	C	C	.	.			trans	-75.2	137.9	-179.5	174.3	-106.8	0	0	0	111.8	G129 P145 F148 F565 Q568 F569 S570	G129-Y143 WeakPolarHBondContact O-CA 3.2Å; G129-Y143 WeakPolarHBondContact O-CD2 3.2Å; Y143-P145 HydrophobicContact CE1-CB 3.76Å; Y143-P145 HydrophobicContact CE1-CG 4.19Å; Y143-F148 HydrophobicContact CD2-CB 4.4Å; Y143-F148 HydrophobicContact CE2-CB 3.41Å; Y143-F148 VanDerWaalsContact CE2-CB 3.41Å; Y143-F148 AromaticContact CE2-CD1 3.99Å; Y143-F148 HydrophobicContact CE2-CD1 3.99Å; Y143-F148 AromaticContact CE2-CD2 3.72Å; Y143-F148 HydrophobicContact CE2-CD2 3.72Å; Y143-F148 HydrophobicContact CE2-CE2 4.44Å; Y143-F148 AromaticContact CE2-CG 3.44Å; Y143-F148 HydrophobicContact CE2-CG 3.44Å; Y143-F148 VanDerWaalsContact CE2-CG 3.44Å; Y143-F148 AromaticContact CZ-CG 3.87Å; Y143-F148 WeakPolarHBondContact OH-CB 3.25Å; Y143-F148 WeakPolarHBondContact OH-CD1 3.32Å; Y143-F148 WeakPolarHBondContact OH-CG 3.07Å; Y143-F565 WeakPolarHBondContact OH-CE2 3.04Å; Y143-Q568 HydrophobicContact CD1-CB 4.19Å; Y143-Q568 HydrophobicContact CD2-CB 4.46Å; Y143-Q568 HydrophobicContact CD2-CG 4.25Å; Y143-Q568 HydrophobicContact CG-CB 3.89Å; Y143-Q568 HydrophobicContact CG-CG 4.18Å; Y143-F569 PolarHBondContact N-O 2.86Å; Y143-S570 WeakPolarHBondContact O-CB 3.44Å; Y143-S570 PolarHBondContact O-OG 2.96Å
144	V	95.8	Very high	94.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	17%	0.17	C	C	.	.			trans	-123.4	98.7	179.3	-177.5	0	0	0	0	107.7	P41 I45 G129 E146 T147 F148 V572	P41-V144 HydrophobicContact CG-CG1 4.4Å; I45-V144 HydrophobicContact CD1-CG1 3.99Å; I45-V144 HydrophobicContact CD1-CG2 4.22Å; I45-V144 HydrophobicContact CG1-CG1 4.38Å; I45-V144 HydrophobicContact CG2-CG2 4.43Å; G129-V144 PolarHBondContact O-N 3.24Å; V144-E146 HydrophobicContact CG1-CB 4.24Å; V144-E146 PolarHBondContact O-N 2.98Å; V144-T147 WeakPolarHBondContact CG1-OG1 3.28Å; V144-T147 PolarHBondContact O-N 3.1Å; V144-F148 PolarHBondContact O-N 3.1Å; V144-V572 HydrophobicContact CG2-CG2 3.93Å
145	P	94.9	Very high	94.7	Very high	38 Å²	38	34 Å²	34	25%	0.247	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-31.9	-177.7	18.6	-26.3	0	0	0	112.6	Y143 T147 F148 Q149	Y143-P145 HydrophobicContact CE1-CB 3.76Å; Y143-P145 HydrophobicContact CE1-CG 4.19Å; P145-T147 PolarHBondContact O-N 2.94Å; P145-F148 PolarHBondContact O-N 2.82Å; P145-Q149 WeakPolarHBondContact O-CB 3.35Å; P145-Q149 WeakPolarHBondContact O-CG 3.46Å; P145-Q149 PolarHBondContact O-N 2.94Å
146	E	95.7	Very high	95	Very high	118 Å²	118	32.9 Å²	32.9	55%	0.551	16%	0.163	S	C	*	.	H	α-helix	trans	-66.4	-20.7	175.8	-62.2	77.7	-171	0	0	112.8	P41 V144 P150	P41-E146 WeakPolarHBondContact CD-O 3.44Å; P41-E146 HydrophobicContact CG-CB 4.45Å; V144-E146 HydrophobicContact CG1-CB 4.24Å; V144-E146 PolarHBondContact O-N 2.98Å; E146-P150 WeakPolarHBondContact O-CD 3.1Å; E146-P150 WeakPolarHBondContact O-CG 3.34Å
147	T	97.5	Very high	95.2	Very high	6 Å²	6	34 Å²	34	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-89.9	-46.9	168.9	-54.8	0	0	0	0	111.1	P41 P127 A128 Y130 V144 P145 L151	P41-T147 WeakPolarHBondContact CD-OG1 3Å; P127-T147 HydrophobicContact CB-CG2 4.21Å; P127-T147 HydrophobicContact CG-CG2 3.96Å; A128-T147 WeakPolarHBondContact O-CB 3.36Å; A128-T147 VanDerWaalsContact O-CG2 3.31Å; A128-T147 WeakPolarHBondContact O-CG2 3.39Å; A128-T147 PolarHBondContact O-OG1 3.27Å; Y130-T147 HydrophobicContact CD1-CG2 3.74Å; Y130-T147 HydrophobicContact CG-CG2 4.47Å; V144-T147 WeakPolarHBondContact CG1-OG1 3.28Å; V144-T147 PolarHBondContact O-N 3.1Å; P145-T147 PolarHBondContact O-N 2.94Å; T147-L151 WeakPolarHBondContact O-CB 3.24Å; T147-L151 PolarHBondContact O-N 2.81Å
148	F	97.6	Very high	95.6	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-42.1	-173.2	-178.8	-90.6	0	0	0	113.1	A93 V94 K97 Y143 V144 P145 L151 V152 F565	A93-F148 HydrophobicContact CB-CE2 4.03Å; A93-F148 HydrophobicContact CB-CZ 4.46Å; V94-F148 HydrophobicContact CB-CE2 4.5Å; V94-F148 HydrophobicContact CG2-CD2 3.82Å; V94-F148 HydrophobicContact CG2-CE2 3.63Å; K97-F148 HydrophobicContact CB-CE1 4.42Å; K97-F148 HydrophobicContact CB-CZ 4.08Å; K97-F148 HydrophobicContact CG-CE1 4.17Å; K97-F148 HydrophobicContact CG-CZ 4.32Å; Y143-F148 HydrophobicContact CD2-CB 4.4Å; Y143-F148 HydrophobicContact CE2-CB 3.41Å; Y143-F148 VanDerWaalsContact CE2-CB 3.41Å; Y143-F148 AromaticContact CE2-CD1 3.99Å; Y143-F148 HydrophobicContact CE2-CD1 3.99Å; Y143-F148 AromaticContact CE2-CD2 3.72Å; Y143-F148 HydrophobicContact CE2-CD2 3.72Å; Y143-F148 HydrophobicContact CE2-CE2 4.44Å; Y143-F148 AromaticContact CE2-CG 3.44Å; Y143-F148 HydrophobicContact CE2-CG 3.44Å; Y143-F148 VanDerWaalsContact CE2-CG 3.44Å; Y143-F148 AromaticContact CZ-CG 3.87Å; Y143-F148 WeakPolarHBondContact OH-CB 3.25Å; Y143-F148 WeakPolarHBondContact OH-CD1 3.32Å; Y143-F148 WeakPolarHBondContact OH-CG 3.07Å; V144-F148 PolarHBondContact O-N 3.1Å; P145-F148 PolarHBondContact O-N 2.82Å; F148-L151 PolarHBondContact O-N 2.84Å; F148-V152 HydrophobicContact CD1-CG2 4.11Å; F148-V152 HydrophobicContact CE1-CG2 3.74Å; F148-V152 HydrophobicContact CE2-CG2 4.33Å; F148-V152 HydrophobicContact CZ-CG2 3.86Å; F148-V152 WeakPolarHBondContact O-CG2 3.48Å; F148-V152 PolarHBondContact O-N 2.97Å; F148-F565 HydrophobicContact CE1-CD2 4.44Å; F148-F565 HydrophobicContact CE1-CE2 4.09Å
149	Q	97.4	Very high	96.1	Very high	106 Å²	106	29 Å²	29	50%	0.495	15%	0.149	S	C	.	.	H	α-helix	trans	-67.7	-52.2	-176	-68.4	173.8	-6.9	0	0	112.4	P145 L151 V152 E153	P145-Q149 WeakPolarHBondContact O-CB 3.35Å; P145-Q149 WeakPolarHBondContact O-CG 3.46Å; P145-Q149 PolarHBondContact O-N 2.94Å; Q149-L151 PolarHBondContact O-N 3.07Å; Q149-V152 PolarHBondContact O-N 2.86Å; Q149-E153 WeakPolarHBondContact O-CB 3.29Å; Q149-E153 WeakPolarHBondContact O-CG 3.13Å; Q149-E153 PolarHBondContact O-N 2.93Å
150	P	97.9	Very high	96.7	Very high	43 Å²	43	29.4 Å²	29.4	28%	0.279	15%	0.15	S	C	.	.	H	α-helix	trans	-60.4	-32.9	176.6	-25.5	37.3	0	0	0	113	E146 G154	E146-P150 WeakPolarHBondContact O-CD 3.1Å; E146-P150 WeakPolarHBondContact O-CG 3.34Å; P150-G154 WeakPolarHBondContact O-CA 3.33Å; P150-G154 PolarHBondContact O-N 2.96Å
151	L	98.6	Very high	97.2	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-52.5	175	-179.9	58.7	0	0	0	111.6	I38 I85 V94 Y130 T147 F148 Q149 I155	I38-L151 HydrophobicContact CB-CD1 4.02Å; I38-L151 HydrophobicContact CD1-CD1 3.77Å; I38-L151 HydrophobicContact CG1-CD1 4.43Å; I38-L151 HydrophobicContact CG2-CD1 4.24Å; I85-L151 HydrophobicContact CD1-CD1 4.14Å; V94-L151 HydrophobicContact CG1-CD2 4.3Å; V94-L151 HydrophobicContact CG1-CG 4.19Å; V94-L151 HydrophobicContact CG2-CD2 3.79Å; V94-L151 HydrophobicContact CG2-CG 4.37Å; Y130-L151 HydrophobicContact CD1-CD2 4.41Å; Y130-L151 HydrophobicContact CD2-CD2 3.83Å; Y130-L151 HydrophobicContact CE2-CD2 4.37Å; Y130-L151 HydrophobicContact CG-CD2 3.86Å; T147-L151 WeakPolarHBondContact O-CB 3.24Å; T147-L151 PolarHBondContact O-N 2.81Å; F148-L151 PolarHBondContact O-N 2.84Å; Q149-L151 PolarHBondContact O-N 3.07Å; L151-I155 HydrophobicContact CD1-CD1 3.97Å; L151-I155 HydrophobicContact CD1-CG1 4.47Å; L151-I155 HydrophobicContact CG-CD1 4.19Å; L151-I155 WeakPolarHBondContact O-CD1 3.42Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 2.72Å
152	V	98.6	Very high	97.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-50	177.8	168.8	0	0	0	0	111.1	V94 K97 V98 F148 Q149 I155 V156	V94-V152 HydrophobicContact CB-CG2 4.41Å; V94-V152 HydrophobicContact CG1-CG2 4.11Å; V94-V152 HydrophobicContact CG2-CG2 4.33Å; K97-V152 HydrophobicContact CB-CG1 4.2Å; K97-V152 HydrophobicContact CB-CG2 4.09Å; K97-V152 HydrophobicContact CG-CG1 3.77Å; K97-V152 HydrophobicContact CG-CG2 4.16Å; V98-V152 HydrophobicContact CG2-CG1 4.14Å; F148-V152 HydrophobicContact CD1-CG2 4.11Å; F148-V152 HydrophobicContact CE1-CG2 3.74Å; F148-V152 HydrophobicContact CE2-CG2 4.33Å; F148-V152 HydrophobicContact CZ-CG2 3.86Å; F148-V152 WeakPolarHBondContact O-CG2 3.48Å; F148-V152 PolarHBondContact O-N 2.97Å; Q149-V152 PolarHBondContact O-N 2.86Å; V152-I155 PolarHBondContact O-N 2.97Å; V152-V156 VanDerWaalsContact O-CG2 3.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.5Å; V152-V156 PolarHBondContact O-N 3.49Å
153	E	98.6	Very high	97.7	Very high	97 Å²	97	31.8 Å²	31.8	45%	0.453	16%	0.158	S	C	.	.	H	α-helix	trans	-65.5	-41.6	-176.9	-70.6	-177.9	176	0	0	112.2	Q149 V156 N157	Q149-E153 WeakPolarHBondContact O-CB 3.29Å; Q149-E153 WeakPolarHBondContact O-CG 3.13Å; Q149-E153 PolarHBondContact O-N 2.93Å; E153-V156 PolarHBondContact O-N 3.23Å; E153-N157 WeakPolarHBondContact O-CB 3.01Å; E153-N157 PolarHBondContact O-N 3.45Å; E153-N157 PolarHBondContact O-ND2 2.82Å
154	G	98.7	Very high	97.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-36.6	176.8	0	0	0	0	0	112.5	H36 P150 N157 S158	H36-G154 WeakPolarHBondContact CB-O 3.37Å; P150-G154 WeakPolarHBondContact O-CA 3.33Å; P150-G154 PolarHBondContact O-N 2.96Å; G154-N157 PolarHBondContact O-N 2.92Å; G154-S158 WeakPolarHBondContact O-CB 3.33Å; G154-S158 PolarHBondContact O-N 3.38Å; G154-S158 PolarHBondContact O-OG 3.27Å
155	I	98.9	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-52.8	170.9	-69	163.8	0	0	0	110.4	V83 I85 V94 V98 I118 L151 V152 N157 S158 I159	V83-I155 HydrophobicContact CG1-CG2 4.28Å; I85-I155 HydrophobicContact CD1-CD1 4.47Å; I85-I155 HydrophobicContact CG2-CD1 3.91Å; I85-I155 HydrophobicContact CG2-CG1 3.7Å; V94-I155 HydrophobicContact CG1-CD1 3.63Å; V98-I155 HydrophobicContact CB-CG2 4.4Å; V98-I155 HydrophobicContact CG1-CG2 3.76Å; V98-I155 HydrophobicContact CG2-CB 3.92Å; V98-I155 HydrophobicContact CG2-CD1 4.2Å; V98-I155 HydrophobicContact CG2-CG2 3.69Å; I118-I155 HydrophobicContact CD1-CG2 4.21Å; I118-I155 HydrophobicContact CG2-CD1 4.47Å; L151-I155 HydrophobicContact CD1-CD1 3.97Å; L151-I155 HydrophobicContact CD1-CG1 4.47Å; L151-I155 HydrophobicContact CG-CD1 4.19Å; L151-I155 WeakPolarHBondContact O-CD1 3.42Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 2.72Å; V152-I155 PolarHBondContact O-N 2.97Å; I155-N157 VanDerWaalsContact C-N 3.33Å; I155-N157 PolarHBondContact O-N 3.4Å; I155-S158 PolarHBondContact O-N 3.04Å; I155-S158 PolarHBondContact O-OG 2.84Å; I155-I159 HydrophobicContact CG2-CD1 4.02Å; I155-I159 WeakPolarHBondContact O-CG1 3.21Å; I155-I159 PolarHBondContact O-N 3.34Å; I155-I159 VanDerWaalsContact O-N 3.08Å
156	V	98.8	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-46.6	179.8	178.5	0	0	0	0	110.6	V98 H101 L102 R105 V152 E153 S158 I159 D160	V98-V156 HydrophobicContact CB-CG2 4.38Å; V98-V156 HydrophobicContact CG1-CG2 4.13Å; V98-V156 HydrophobicContact CG2-CG2 4.27Å; H101-V156 HydrophobicContact CB-CG1 4.34Å; H101-V156 HydrophobicContact CB-CG2 3.69Å; L102-V156 HydrophobicContact CD2-CG1 4.04Å; R105-V156 VanDerWaalsContact CZ-CG1 3.44Å; R105-V156 VanDerWaalsContact NH1-CG1 3.31Å; V152-V156 VanDerWaalsContact O-CG2 3.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.5Å; V152-V156 PolarHBondContact O-N 3.49Å; E153-V156 PolarHBondContact O-N 3.23Å; V156-S158 VanDerWaalsContact C-N 3.34Å; V156-S158 PolarHBondContact O-N 3.14Å; V156-I159 WeakPolarHBondContact O-CB 3.18Å; V156-I159 PolarHBondContact O-N 2.88Å; V156-I159 VanDerWaalsContact O-N 3.14Å; V156-D160 PolarHBondContact O-N 3.4Å
157	N	98.7	Very high	98.1	Very high	42 Å²	42	38.5 Å²	38.5	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-33.1	-179.5	-66.4	-15.7	0	0	0	112.8	H36 R105 E153 G154 I155 I159 D160 L161	H36-N157 HydrophobicContact CB-CB 4.31Å; H36-N157 VanDerWaalsContact CD2-CB 3.41Å; H36-N157 WeakPolarHBondContact CD2-CB 3.38Å; H36-N157 PolarHBondContact NE2-ND2 3.45Å; R105-N157 PolarHBondContact NH1-OD1 3.31Å; E153-N157 WeakPolarHBondContact O-CB 3.01Å; E153-N157 PolarHBondContact O-N 3.45Å; E153-N157 PolarHBondContact O-ND2 2.82Å; G154-N157 PolarHBondContact O-N 2.92Å; I155-N157 VanDerWaalsContact C-N 3.33Å; I155-N157 PolarHBondContact O-N 3.4Å; N157-I159 VanDerWaalsContact C-N 3.34Å; N157-D160 PolarHBondContact O-N 3.16Å; N157-L161 WeakPolarHBondContact O-CB 3.45Å; N157-L161 VanDerWaalsContact O-CG 3.29Å; N157-L161 WeakPolarHBondContact O-CG 3.21Å; N157-L161 PolarHBondContact O-N 3.36Å
158	S	98.8	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-38	172.8	70.2	0	0	0	0	111.9	G34 S66 G154 I155 V156 A162	G34-S158 WeakPolarHBondContact CA-O 3.46Å; S66-S158 WeakPolarHBondContact CB-OG 3.24Å; S66-S158 WeakPolarHBondContact O-CB 3.45Å; S66-S158 PolarHBondContact OG-OG 2.84Å; G154-S158 WeakPolarHBondContact O-CB 3.33Å; G154-S158 PolarHBondContact O-N 3.38Å; G154-S158 PolarHBondContact O-OG 3.27Å; I155-S158 PolarHBondContact O-N 3.04Å; I155-S158 PolarHBondContact O-OG 2.84Å; V156-S158 VanDerWaalsContact C-N 3.34Å; V156-S158 PolarHBondContact O-N 3.14Å; S158-A162 WeakPolarHBondContact O-CB 3.12Å; S158-A162 PolarHBondContact O-N 2.77Å
159	I	98.8	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-45	174.5	-64.9	171.1	0	0	0	110.3	A68 I70 V81 V83 V98 L102 F111 I155 V156 N157 L161 A162 Y163	A68-I159 HydrophobicContact CB-CG1 3.95Å; I70-I159 HydrophobicContact CD1-CG2 4.13Å; V81-I159 HydrophobicContact CG1-CD1 4.19Å; V81-I159 HydrophobicContact CG1-CG1 3.97Å; V81-I159 HydrophobicContact CG1-CG2 4.38Å; V83-I159 HydrophobicContact CG2-CD1 3.94Å; V83-I159 HydrophobicContact CG2-CG1 3.88Å; V98-I159 HydrophobicContact CG1-CD1 4.21Å; L102-I159 HydrophobicContact CD1-CD1 3.78Å; L102-I159 HydrophobicContact CD1-CG2 4.45Å; L102-I159 HydrophobicContact CD2-CB 4.31Å; L102-I159 HydrophobicContact CD2-CG2 3.85Å; F111-I159 HydrophobicContact CE1-CG2 4.39Å; F111-I159 HydrophobicContact CZ-CG2 4.22Å; I155-I159 HydrophobicContact CG2-CD1 4.02Å; I155-I159 WeakPolarHBondContact O-CG1 3.21Å; I155-I159 PolarHBondContact O-N 3.34Å; I155-I159 VanDerWaalsContact O-N 3.08Å; V156-I159 WeakPolarHBondContact O-CB 3.18Å; V156-I159 PolarHBondContact O-N 2.88Å; V156-I159 VanDerWaalsContact O-N 3.14Å; N157-I159 VanDerWaalsContact C-N 3.34Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.29Å; I159-A162 WeakPolarHBondContact O-CB 3.42Å; I159-A162 PolarHBondContact O-N 2.99Å; I159-Y163 WeakPolarHBondContact O-CB 3.5Å; I159-Y163 PolarHBondContact O-N 3.35Å
160	D	98.3	Very high	98	Very high	34 Å²	34	41.6 Å²	41.6	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-44.9	177	-73.9	13.2	0	0	0	111.5	R105 Y106 V156 N157 Y163 S164	R105-D160 WeakPolarHBondContact CD-OD2 3.39Å; R105-D160 IonicContact CZ-OD2 3.93Å; R105-D160 IonicContact NE-OD2 3.52Å; R105-D160 IonicContact NH1-OD1 3.72Å; R105-D160 IonicContact NH1-OD2 3.95Å; R105-D160 PolarHBondContact NH1-OD2 3.15Å; Y106-D160 WeakPolarHBondContact CE2-OD1 3.26Å; Y106-D160 WeakPolarHBondContact OH-CA 3.25Å; Y106-D160 PolarHBondContact OH-OD1 3.07Å; V156-D160 PolarHBondContact O-N 3.4Å; N157-D160 PolarHBondContact O-N 3.16Å; D160-Y163 PolarHBondContact O-N 2.82Å; D160-S164 WeakPolarHBondContact O-CB 3.43Å; D160-S164 PolarHBondContact O-N 3.21Å; D160-S164 PolarHBondContact O-OG 3.26Å
161	L	98.4	Very high	98.1	Very high	68 Å²	68	39.6 Å²	39.6	36%	0.356	20%	0.197	S	C	.	.	H	α-helix	trans	-61	-47.2	175.2	-74.9	171.5	0	0	0	110.9	I35 N157 I159 Y163 S164 N165	I35-L161 VanDerWaalsContact O-CD1 3.26Å; I35-L161 WeakPolarHBondContact O-CD1 3.28Å; N157-L161 WeakPolarHBondContact O-CB 3.45Å; N157-L161 VanDerWaalsContact O-CG 3.29Å; N157-L161 WeakPolarHBondContact O-CG 3.21Å; N157-L161 PolarHBondContact O-N 3.36Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.29Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; L161-Y163 PolarHBondContact O-N 3.2Å; L161-S164 PolarHBondContact O-N 2.9Å; L161-S164 PolarHBondContact O-OG 3.36Å; L161-N165 VanDerWaalsContact O-CB 3.27Å; L161-N165 WeakPolarHBondContact O-CB 3.32Å; L161-N165 PolarHBondContact O-N 3.27Å; L161-N165 PolarHBondContact O-ND2 3.39Å; L161-N165 VanDerWaalsContact O-ND2 3.14Å
162	A	98.7	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-46.3	177	0	0	0	0	0	111.6	G32 V33 A68 I70 S158 I159 N165 M166	G32-A162 WeakPolarHBondContact CA-O 3.48Å; V33-A162 VanDerWaalsContact C-CA 3.46Å; V33-A162 WeakPolarHBondContact O-CA 3.2Å; A68-A162 HydrophobicContact CB-CB 4.12Å; I70-A162 HydrophobicContact CD1-CB 3.98Å; I70-A162 HydrophobicContact CG1-CB 3.82Å; S158-A162 WeakPolarHBondContact O-CB 3.12Å; S158-A162 PolarHBondContact O-N 2.77Å; I159-A162 WeakPolarHBondContact O-CB 3.42Å; I159-A162 PolarHBondContact O-N 2.99Å; A162-N165 PolarHBondContact O-N 3.38Å; A162-M166 PolarHBondContact O-N 2.9Å
163	Y	97.4	Very high	98	Very high	70 Å²	70	40.8 Å²	40.8	28%	0.275	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-44.1	179.3	-168.2	-103.3	0	0	0	112.1	I70 Y106 L110 F111 I159 D160 L161 N165 M166	I70-Y163 HydrophobicContact CD1-CD2 3.99Å; I70-Y163 HydrophobicContact CD1-CG 4.34Å; Y106-Y163 HydrophobicContact CD1-CD1 4.39Å; Y106-Y163 HydrophobicContact CD1-CE1 4.16Å; Y106-Y163 AromaticContact CE1-CD1 3.51Å; Y106-Y163 HydrophobicContact CE1-CD1 3.51Å; Y106-Y163 AromaticContact CE1-CE1 3.67Å; Y106-Y163 HydrophobicContact CE1-CE1 3.67Å; Y106-Y163 HydrophobicContact CE1-CG 4.22Å; L110-Y163 HydrophobicContact CD2-CE2 4.02Å; F111-Y163 AromaticContact CZ-CD2 3.78Å; F111-Y163 HydrophobicContact CZ-CD2 3.78Å; F111-Y163 HydrophobicContact CZ-CE2 4.2Å; F111-Y163 HydrophobicContact CZ-CG 4.31Å; I159-Y163 WeakPolarHBondContact O-CB 3.5Å; I159-Y163 PolarHBondContact O-N 3.35Å; D160-Y163 PolarHBondContact O-N 2.82Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; L161-Y163 PolarHBondContact O-N 3.2Å; Y163-N165 PolarHBondContact O-N 3.21Å; Y163-M166 HydrophobicContact CD2-CE 3.51Å; Y163-M166 HydrophobicContact CD2-SD 4.13Å; Y163-M166 HydrophobicContact CE1-CE 4.5Å; Y163-M166 HydrophobicContact CE2-CE 3.38Å; Y163-M166 HydrophobicContact CE2-SD 4.35Å; Y163-M166 HydrophobicContact CG-CE 4.15Å; Y163-M166 WeakPolarHBondContact O-CG 3.24Å; Y163-M166 PolarHBondContact O-N 2.95Å
164	S	97	Very high	98	Very high	83 Å²	83	36.9 Å²	36.9	58%	0.58	19%	0.187	S	C	*	.	H	α-helix	trans	-66.8	-23.4	177.2	71.5	0	0	0	0	113.9	D160 L161	D160-S164 WeakPolarHBondContact O-CB 3.43Å; D160-S164 PolarHBondContact O-N 3.21Å; D160-S164 PolarHBondContact O-OG 3.26Å; L161-S164 PolarHBondContact O-N 2.9Å; L161-S164 PolarHBondContact O-OG 3.36Å
165	N	97	Very high	98	Very high	79 Å²	79	41.2 Å²	41.2	42%	0.422	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.6	-176.2	-72.3	-28	0	0	0	113.4	V33 L161 A162 Y163 K167	V33-N165 PolarHBondContact O-ND2 3.38Å; L161-N165 VanDerWaalsContact O-CB 3.27Å; L161-N165 WeakPolarHBondContact O-CB 3.32Å; L161-N165 PolarHBondContact O-N 3.27Å; L161-N165 PolarHBondContact O-ND2 3.39Å; L161-N165 VanDerWaalsContact O-ND2 3.14Å; A162-N165 PolarHBondContact O-N 3.38Å; Y163-N165 PolarHBondContact O-N 3.21Å; N165-K167 PolarHBondContact O-N 2.69Å
166	M	97.2	Very high	98	Very high	46 Å²	46	42 Å²	42	23%	0.227	22%	0.215	C	C	.	.			trans	-57.2	132.4	-177.7	-75.2	-167.8	-60.7	0	0	112.2	L30 I31 I70 A162 Y163	L30-M166 HydrophobicContact CB-SD 4.36Å; I31-M166 WeakPolarHBondContact O-CA 3.27Å; I70-M166 HydrophobicContact CG2-SD 3.76Å; A162-M166 PolarHBondContact O-N 2.9Å; Y163-M166 HydrophobicContact CD2-CE 3.51Å; Y163-M166 HydrophobicContact CD2-SD 4.13Å; Y163-M166 HydrophobicContact CE1-CE 4.5Å; Y163-M166 HydrophobicContact CE2-CE 3.38Å; Y163-M166 HydrophobicContact CE2-SD 4.35Å; Y163-M166 HydrophobicContact CG-CE 4.15Å; Y163-M166 WeakPolarHBondContact O-CG 3.24Å; Y163-M166 PolarHBondContact O-N 2.95Å
167	K	96.6	Very high	97.9	Very high	117 Å²	117	45.7 Å²	45.7	51%	0.509	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.8	176.8	-66.6	174.3	-171.4	177.2	0	109.6	I31 N165 G169 T216	I31-K167 PolarHBondContact N-O 2.68Å; I31-K167 PolarHBondContact O-N 2.82Å; N165-K167 PolarHBondContact O-N 2.69Å; K167-G169 PolarHBondContact O-N 3.14Å; K167-T216 HydrophobicContact CD-CG2 4.21Å
168	E	97.1	Very high	97.9	Very high	133 Å²	133	44.4 Å²	44.4	62%	0.621	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.4	168.8	-68.3	-179.5	-173.4	0	0	110.5	Y29 L30 T216 M217	Y29-E168 CarbonylContact O-C 3.55Å; Y29-E168 VanDerWaalsContact O-CA 3.28Å; Y29-E168 WeakPolarHBondContact O-CA 3.47Å; L30-E168 HydrophobicContact CD2-CG 3.71Å; E168-T216 WeakPolarHBondContact O-CA 3.42Å; E168-M217 HydrophobicContact CB-CG 3.74Å; E168-M217 PolarHBondContact O-N 2.83Å; E168-M217 VanDerWaalsContact O-N 3.08Å
169	G	97.6	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	-175.4	-172.2	0	0	0	0	0	114.6	G28 Y29 K167 V215	G28-G169 CarbonylContact C-O 3.5Å; G28-G169 VanDerWaalsContact CA-O 3.26Å; G28-G169 WeakPolarHBondContact CA-O 3.44Å; Y29-G169 PolarHBondContact N-O 2.89Å; Y29-G169 PolarHBondContact O-N 2.76Å; K167-G169 PolarHBondContact O-N 3.14Å; G169-V215 CarbonylContact C-O 3.58Å; G169-V215 WeakPolarHBondContact CA-O 3.36Å
170	K	97.6	Very high	97.7	Very high	51 Å²	51	54.6 Å²	54.6	22%	0.222	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.4	-178	-62.4	176.7	165.2	-144.3	0	110.5	V215 M217 E345	K170-V215 HydrophobicContact CB-CG2 3.85Å; K170-V215 PolarHBondContact N-O 3.46Å; K170-V215 PolarHBondContact O-N 3.36Å; K170-M217 HydrophobicContact CG-SD 4.28Å; K170-E345 WeakPolarHBondContact CD-OE2 3.23Å; K170-E345 IonicContact NZ-OE1 3.39Å; K170-E345 PolarHBondContact NZ-OE1 3.09Å; K170-E345 IonicContact NZ-OE2 2.76Å; K170-E345 PolarHBondContact NZ-OE2 3.36Å
171	I	98.2	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.5	175.7	-55.5	177.6	0	0	0	107.4	Y29 I31 I71 L212 K213 F214 I346 I454	Y29-I171 HydrophobicContact CD2-CD1 3.94Å; Y29-I171 HydrophobicContact CD2-CG1 4.02Å; Y29-I171 HydrophobicContact CE2-CD1 4.23Å; Y29-I171 HydrophobicContact CE2-CG1 4.42Å; Y29-I171 HydrophobicContact CG-CD1 4.49Å; I31-I171 HydrophobicContact CD1-CD1 4.45Å; I31-I171 HydrophobicContact CD1-CG1 3.75Å; I71-I171 HydrophobicContact CD1-CD1 3.83Å; I71-I171 HydrophobicContact CG1-CD1 4.1Å; I71-I171 HydrophobicContact CG2-CD1 3.74Å; I171-L212 HydrophobicContact CG2-CB 4.33Å; I171-L212 HydrophobicContact CG2-CD2 4.31Å; I171-K213 WeakPolarHBondContact CA-O 3.14Å; I171-F214 HydrophobicContact CD1-CD1 4.22Å; I171-F214 HydrophobicContact CD1-CE1 3.87Å; I171-F214 HydrophobicContact CG1-CD1 3.83Å; I171-F214 HydrophobicContact CG1-CE1 3.92Å; I171-F214 HydrophobicContact CG2-CD1 4.46Å; I171-F214 HydrophobicContact CG2-CE1 4.17Å; I171-I346 HydrophobicContact CB-CB 4.34Å; I171-I346 HydrophobicContact CG2-CB 4.31Å; I171-I346 HydrophobicContact CG2-CG1 4.37Å; I171-I346 PolarHBondContact O-N 3.32Å; I171-I454 HydrophobicContact CD1-CD1 4.01Å; I171-I454 HydrophobicContact CD1-CG2 4.07Å
172	L	98.2	Very high	97.7	Very high	23 Å²	23	49.9 Å²	49.9	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.3	177.5	-53.1	177.3	0	0	0	109	L212 K213 V215 A342 T344 E345	L172-L212 CarbonylContact O-C 2.96Å; L172-L212 WeakPolarHBondContact O-CA 3.13Å; L172-K213 HydrophobicContact CB-CB 4.25Å; L172-K213 HydrophobicContact CD1-CD 4.29Å; L172-K213 PolarHBondContact N-O 2.68Å; L172-K213 PolarHBondContact O-N 2.94Å; L172-V215 HydrophobicContact CD1-CG1 4.47Å; L172-V215 HydrophobicContact CD1-CG2 4.38Å; L172-A342 HydrophobicContact CB-CB 4.01Å; L172-T344 CarbonylContact C-O 3.11Å; L172-T344 WeakPolarHBondContact CA-O 3.33Å; L172-E345 HydrophobicContact CD2-CB 3.98Å; L172-E345 HydrophobicContact CD2-CG 4.09Å
173	K	98.3	Very high	97.6	Very high	13 Å²	13	52 Å²	52	6%	0.057	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.6	177	179.1	174.5	175.6	-89.9	0	110.7	E175 I210 L211 L212 T344 I346 E498	K173-E175 IonicContact NZ-OE2 3.14Å; K173-E175 PolarHBondContact NZ-OE2 3Å; K173-I210 HydrophobicContact CG-CG2 4.5Å; K173-L211 WeakPolarHBondContact CA-O 3.14Å; K173-L212 HydrophobicContact CB-CD2 3.97Å; K173-L212 HydrophobicContact CD-CD2 4.49Å; K173-L212 HydrophobicContact CG-CD2 4.15Å; K173-T344 PolarHBondContact N-O 3.13Å; K173-I346 HydrophobicContact CB-CD1 3.75Å; K173-I346 HydrophobicContact CB-CG1 3.89Å; K173-I346 HydrophobicContact CD-CD1 3.96Å; K173-I346 HydrophobicContact CG-CD1 4.49Å; K173-E498 VanDerWaalsContact CE-OE2 3.25Å; K173-E498 WeakPolarHBondContact CE-OE2 3.34Å; K173-E498 IonicContact NZ-OE2 3.04Å; K173-E498 PolarHBondContact NZ-OE2 2.92Å
174	A	98.5	Very high	97.7	Very high	15 Å²	15	49.2 Å²	49.2	12%	0.124	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.6	164.3	0	0	0	0	0	109.3	L211 L338 A342	A174-L211 PolarHBondContact N-O 2.87Å; A174-L211 PolarHBondContact O-N 3.45Å; A174-L338 HydrophobicContact CB-CB 3.88Å; A174-L338 HydrophobicContact CB-CD2 4.22Å; A174-L338 VanDerWaalsContact CB-O 3.29Å; A174-L338 WeakPolarHBondContact CB-O 3.27Å; A174-A342 HydrophobicContact CB-CB 3.79Å
175	E	98.2	Very high	97.8	Very high	92 Å²	92	45.8 Å²	45.8	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.9	174.9	63	-175.7	-151.2	0	0	111.4	K173 M209 I210 L338	K173-E175 IonicContact NZ-OE2 3.14Å; K173-E175 PolarHBondContact NZ-OE2 3Å; E175-M209 CarbonylContact C-O 3.49Å; E175-M209 WeakPolarHBondContact CA-O 3.44Å; E175-I210 HydrophobicContact CB-CG1 4.26Å; E175-L338 VanDerWaalsContact O-CD2 3.28Å; E175-L338 WeakPolarHBondContact O-CD2 3.25Å
176	G	98.1	Very high	97.9	Very high	17 Å²	17	42 Å²	42	18%	0.175	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.2	163.1	170.9	0	0	0	0	0	113.9	M209 K334	G176-M209 PolarHBondContact N-O 3.42Å; G176-M209 PolarHBondContact O-N 3.34Å; G176-K334 VanDerWaalsContact C-CE 3.42Å; G176-K334 VanDerWaalsContact O-CE 3.27Å; G176-K334 WeakPolarHBondContact O-CE 3.5Å
177	D	98.1	Very high	97.9	Very high	77 Å²	77	41.3 Å²	41.3	41%	0.412	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.6	-167.8	-62.6	-29.2	0	0	0	113.8	K207 N208 K334	D177-K207 CarbonylContact C-O 3.59Å; D177-K207 WeakPolarHBondContact CA-O 3.39Å; D177-K207 HydrophobicContact CB-CB 4.06Å; D177-N208 WeakPolarHBondContact OD1-CA 3.46Å; D177-N208 PolarHBondContact OD1-N 2.88Å; D177-K334 WeakPolarHBondContact O-CE 3.44Å; D177-K334 PolarHBondContact O-NZ 3.44Å
178	L	98.3	Very high	98	Very high	14 Å²	14	36 Å²	36	7%	0.073	19%	0.186	C	C	.	.			trans	-100.9	101.8	173.6	177.2	53.1	0	0	0	111	A181 K207 M209 F228 K330 Q331 K334	L178-A181 HydrophobicContact CD1-CB 4.3Å; L178-A181 HydrophobicContact CD2-CB 3.77Å; L178-A181 HydrophobicContact CG-CB 3.74Å; L178-K207 PolarHBondContact N-O 3.43Å; L178-K207 WeakPolarHBondContact O-CD 3.13Å; L178-M209 HydrophobicContact CD2-CE 3.59Å; L178-F228 HydrophobicContact CB-CD2 4.41Å; L178-F228 HydrophobicContact CB-CE2 3.86Å; L178-F228 HydrophobicContact CB-CZ 4.03Å; L178-F228 HydrophobicContact CD2-CD1 4.1Å; L178-F228 HydrophobicContact CD2-CE1 3.77Å; L178-F228 HydrophobicContact CD2-CE2 4.34Å; L178-F228 HydrophobicContact CD2-CZ 3.9Å; L178-F228 HydrophobicContact CG-CE1 4.4Å; L178-F228 HydrophobicContact CG-CE2 4.38Å; L178-F228 HydrophobicContact CG-CZ 4.04Å; L178-K330 HydrophobicContact CD1-CB 4.33Å; L178-Q331 HydrophobicContact CD2-CB 4.39Å; L178-Q331 HydrophobicContact CD2-CG 3.85Å; L178-K334 HydrophobicContact CB-CG 4.17Å; L178-K334 HydrophobicContact CD1-CB 4.04Å; L178-K334 HydrophobicContact CD1-CG 4.46Å; L178-K334 HydrophobicContact CD2-CB 4.41Å
179	H	96.7	Very high	98.1	Very high	94 Å²	94	29.9 Å²	29.9	44%	0.435	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	162.5	176.3	-54.6	-81.2	0	0	0	112.5	A181 E203	H179-A181 PolarHBondContact O-N 3.32Å; H179-A181 VanDerWaalsContact O-N 3.07Å; H179-E203 IonicContact CE1-OE1 2.73Å; H179-E203 IonicContact ND1-OE1 3.53Å; H179-E203 PolarHBondContact ND1-OE1 2.75Å
180	N	95.9	Very high	98.1	Very high	120 Å²	120	30.3 Å²	30.3	64%	0.642	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	19.8	174.3	-55	-39.3	0	0	0	115.8	K330	N180-K330 WeakPolarHBondContact O-CD 3.26Å; N180-K330 PolarHBondContact O-NZ 3.46Å
181	A	98	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-108.5	-7.3	174.7	0	0	0	0	0	113.2	L178 H179 F228 K330	L178-A181 HydrophobicContact CD1-CB 4.3Å; L178-A181 HydrophobicContact CD2-CB 3.77Å; L178-A181 HydrophobicContact CG-CB 3.74Å; H179-A181 PolarHBondContact O-N 3.32Å; H179-A181 VanDerWaalsContact O-N 3.07Å; A181-F228 HydrophobicContact CB-CE1 4.07Å; A181-F228 HydrophobicContact CB-CZ 4.22Å; A181-K330 HydrophobicContact CB-CB 4.41Å; A181-K330 HydrophobicContact CB-CD 4.44Å
182	S	98.2	Very high	98.2	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	20%	0.195	C	C	.	.			trans	-155.1	151.8	-175	57.7	0	0	0	0	112.9	K207 V281 S282	S182-K207 PolarHBondContact O-NZ 3.08Å; S182-K207 PolarHBondContact OG-NZ 2.94Å; S182-K207 VanDerWaalsContact OG-NZ 3.1Å; S182-V281 VanDerWaalsContact CB-CG1 3.44Å; S182-S282 CarbonylContact C-O 3.58Å; S182-S282 VanDerWaalsContact CA-O 3.24Å; S182-S282 WeakPolarHBondContact CA-O 3.4Å
183	I	98.5	Very high	98.2	Very high	44 Å²	44	36.1 Å²	36.1	23%	0.226	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.8	168.8	60.4	167.7	0	0	0	110	V281 S282 N284 T285	I183-V281 CarbonylContact O-C 3.47Å; I183-V281 WeakPolarHBondContact O-CA 3.49Å; I183-S282 PolarHBondContact N-O 3.04Å; I183-S282 PolarHBondContact O-N 3.26Å; I183-N284 WeakPolarHBondContact CD1-O 3.31Å; I183-T285 HydrophobicContact CG2-CG2 4.36Å
184	N	98.7	Very high	98.1	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.059	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.6	170.4	-165.6	-55.3	0	0	0	109.3	S186 N204 V205 D280	N184-S186 WeakPolarHBondContact OD1-CA 3.36Å; N184-S186 PolarHBondContact OD1-N 2.9Å; N184-S186 PolarHBondContact OD1-O 3.18Å; N184-N204 HydrophobicContact CB-CB 4.4Å; N184-N204 PolarHBondContact ND2-O 2.89Å; N184-V205 HydrophobicContact CB-CG1 3.72Å; N184-V205 VanDerWaalsContact N-CG1 3.33Å; N184-D280 CarbonylContact C-O 3.5Å; N184-D280 VanDerWaalsContact CA-O 3.26Å; N184-D280 WeakPolarHBondContact CA-O 3.38Å; N184-D280 PolarHBondContact ND2-OD2 2.73Å; N184-D280 PolarHBondContact OD1-O 3.45Å
185	R	98.5	Very high	98.1	Very high	11 Å²	11	42.1 Å²	42.1	4%	0.042	23%	0.227	C	C	.	.	S	Bend	trans	-89.8	-7.7	179.7	75.7	-172.6	-177.8	-175.5	-4.5	113.9	P187 H231 G279 D280 D388 Y511 R522 E524	R185-P187 VanDerWaalsContact C-CD 3.4Å; R185-H231 PolarHBondContact NH1-NE2 2.84Å; R185-H231 PolarHBondContact NH2-CE1 3.37Å; R185-H231 PolarHBondContact NH2-NE2 2.93Å; R185-G279 PolarHBondContact NE-O 3.41Å; R185-G279 PolarHBondContact NH2-O 3.2Å; R185-D280 PolarHBondContact N-O 3.45Å; R185-D388 VanDerWaalsContact CD-OD2 3.23Å; R185-D388 WeakPolarHBondContact CD-OD2 3.31Å; R185-D388 IonicContact NH1-OD2 2.73Å; R185-D388 PolarHBondContact NH1-OD2 3.3Å; R185-Y511 VanDerWaalsContact NH2-CZ 3.32Å; R185-Y511 PolarHBondContact NH2-OH 3.44Å; R185-R522 PolarHBondContact O-NH2 3.43Å; R185-E524 IonicContact CZ-OE1 2.92Å; R185-E524 IonicContact NE-OE1 3.76Å; R185-E524 PolarHBondContact NE-OE1 2.95Å; R185-E524 IonicContact NH2-OE1 3.94Å; R185-E524 PolarHBondContact NH2-OE1 3.32Å
186	S	98.6	Very high	98.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.24	C	C	.	.			trans	-131.3	51.9	175.7	-75.3	0	0	0	0	111.7	N184 A188 A189 Y190 R522 E524	N184-S186 WeakPolarHBondContact OD1-CA 3.36Å; N184-S186 PolarHBondContact OD1-N 2.9Å; N184-S186 PolarHBondContact OD1-O 3.18Å; S186-A188 PolarHBondContact O-N 3Å; S186-A188 VanDerWaalsContact O-N 3.16Å; S186-A189 WeakPolarHBondContact O-CB 3.39Å; S186-A189 PolarHBondContact O-N 3.43Å; S186-Y190 PolarHBondContact O-N 3.31Å; S186-R522 PolarHBondContact OG-NE 3.31Å; S186-R522 PolarHBondContact OG-NH2 3.45Å; S186-E524 WeakPolarHBondContact CB-OE2 3.34Å; S186-E524 VanDerWaalsContact OG-CD 3.31Å; S186-E524 PolarHBondContact OG-OE1 3.02Å; S186-E524 PolarHBondContact OG-OE2 2.95Å
187	P	98.2	Very high	98.1	Very high	30 Å²	30	44.8 Å²	44.8	20%	0.195	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-31.4	-173.2	26.2	-35.5	0	0	0	112.7	R185 A189 Y190 L191 F299	R185-P187 VanDerWaalsContact C-CD 3.4Å; P187-A189 VanDerWaalsContact C-N 3.32Å; P187-A189 PolarHBondContact O-N 3.49Å; P187-Y190 PolarHBondContact O-N 2.9Å; P187-L191 VanDerWaalsContact O-CG 3.31Å; P187-L191 WeakPolarHBondContact O-CG 3.32Å; P187-L191 PolarHBondContact O-N 3.1Å; P187-L191 VanDerWaalsContact O-N 3.15Å; P187-F299 HydrophobicContact CB-CE2 3.98Å; P187-F299 HydrophobicContact CB-CZ 4.06Å; P187-F299 HydrophobicContact CG-CD2 4.29Å; P187-F299 HydrophobicContact CG-CE2 3.56Å; P187-F299 HydrophobicContact CG-CZ 4.04Å
188	A	98.3	Very high	98.1	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-40.4	173.7	0	0	0	0	0	112.4	S186 L191 F299 V300 L520	S186-A188 PolarHBondContact O-N 3Å; S186-A188 VanDerWaalsContact O-N 3.16Å; A188-L191 PolarHBondContact O-N 3.4Å; A188-F299 HydrophobicContact CB-CD1 3.8Å; A188-F299 HydrophobicContact CB-CE1 3.52Å; A188-F299 HydrophobicContact CB-CZ 4.14Å; A188-V300 HydrophobicContact CB-CG2 4.17Å; A188-L520 HydrophobicContact CB-CD2 3.77Å
189	A	98.7	Very high	98	Very high	6 Å²	6	46 Å²	46	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-70.7	-40.6	177.9	0	0	0	0	0	111.3	S186 P187 L191 E192 E517 L520	S186-A189 WeakPolarHBondContact O-CB 3.39Å; S186-A189 PolarHBondContact O-N 3.43Å; P187-A189 VanDerWaalsContact C-N 3.32Å; P187-A189 PolarHBondContact O-N 3.49Å; A189-L191 PolarHBondContact O-N 3.3Å; A189-E192 WeakPolarHBondContact O-CB 3.39Å; A189-E192 PolarHBondContact O-N 3.26Å; A189-E517 HydrophobicContact CB-CB 4.19Å; A189-E517 HydrophobicContact CB-CG 4.15Å; A189-E517 VanDerWaalsContact O-CG 3.22Å; A189-E517 WeakPolarHBondContact O-CG 3.4Å; A189-L520 HydrophobicContact CB-CD2 4.02Å
190	Y	98.8	Very high	98.1	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.035	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-38.9	175.6	177.1	-85.8	0	0	0	112	S186 P187 E192 N193 Q198 N204 T468 M469 R472	S186-Y190 PolarHBondContact O-N 3.31Å; P187-Y190 PolarHBondContact O-N 2.9Å; Y190-E192 PolarHBondContact O-N 3.35Å; Y190-N193 WeakPolarHBondContact O-CB 3.44Å; Y190-N193 PolarHBondContact O-N 3.13Å; Y190-N193 PolarHBondContact O-ND2 3.48Å; Y190-Q198 HydrophobicContact CE1-CB 4.47Å; Y190-Q198 HydrophobicContact CE1-CG 4.02Å; Y190-N204 HydrophobicContact CD1-CB 3.55Å; Y190-N204 HydrophobicContact CD2-CB 3.92Å; Y190-N204 HydrophobicContact CE1-CB 3.55Å; Y190-N204 HydrophobicContact CE2-CB 3.9Å; Y190-N204 HydrophobicContact CG-CB 3.75Å; Y190-T468 HydrophobicContact CE2-CG2 4.27Å; Y190-M469 HydrophobicContact CE2-CE 3.75Å; Y190-R472 PolarHBondContact OH-NH1 2.97Å
191	L	98.4	Very high	98.1	Very high	93 Å²	93	45 Å²	45	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.5	-180	-69.1	175.6	0	0	0	114.1	P187 A188 A189 N193 Q198 F299	P187-L191 VanDerWaalsContact O-CG 3.31Å; P187-L191 WeakPolarHBondContact O-CG 3.32Å; P187-L191 PolarHBondContact O-N 3.1Å; P187-L191 VanDerWaalsContact O-N 3.15Å; A188-L191 PolarHBondContact O-N 3.4Å; A189-L191 PolarHBondContact O-N 3.3Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-Q198 VanDerWaalsContact CD2-OE1 3.32Å; L191-Q198 PolarHBondContact O-NE2 2.77Å; L191-F299 HydrophobicContact CD1-CE1 4.14Å; L191-F299 HydrophobicContact CD1-CZ 3.92Å
192	E	98.1	Very high	97.9	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-19	174.4	-62	-62.4	146.8	0	0	112.6	A189 Y190 E516 L520	A189-E192 WeakPolarHBondContact O-CB 3.39Å; A189-E192 PolarHBondContact O-N 3.26Å; Y190-E192 PolarHBondContact O-N 3.35Å; E192-E516 HydrophobicContact CB-CB 4.22Å; E192-E516 WeakPolarHBondContact O-CB 3.41Å; E192-L520 HydrophobicContact CG-CB 4.34Å; E192-L520 HydrophobicContact CG-CD2 4.47Å
193	N	98.5	Very high	97.7	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	30%	0.295	C	S	.	.	S	Bend	trans	-61.3	156.4	173.7	-66.5	-64.4	0	0	0	110.8	Y190 L191 V195 Q198 M469 T514 E517	Y190-N193 WeakPolarHBondContact O-CB 3.44Å; Y190-N193 PolarHBondContact O-N 3.13Å; Y190-N193 PolarHBondContact O-ND2 3.48Å; L191-N193 VanDerWaalsContact C-N 3.32Å; N193-V195 PolarHBondContact O-N 3.22Å; N193-Q198 HydrophobicContact CB-CG 4.21Å; N193-Q198 PolarHBondContact O-NE2 3Å; N193-M469 HydrophobicContact CB-CE 4.49Å; N193-M469 HydrophobicContact CB-CG 4.34Å; N193-M469 WeakPolarHBondContact ND2-CB 3.37Å; N193-T514 WeakPolarHBondContact OD1-CB 3.4Å; N193-T514 WeakPolarHBondContact OD1-CG2 3.2Å; N193-T514 PolarHBondContact OD1-OG1 3.39Å; N193-E517 PolarHBondContact ND2-OE1 3.42Å
194	P	97.7	Very high	97.7	Very high	46 Å²	46	53.2 Å²	53.2	30%	0.299	30%	0.298	S	S	.	.			trans	-55.8	135.8	179.9	-26.7	35.6	0	0	0	113	E196 E197 Q198	P194-E196 PolarHBondContact O-N 3.07Å; P194-E197 HydrophobicContact CB-CB 4.21Å; P194-E197 WeakPolarHBondContact O-CA 3.38Å; P194-E197 WeakPolarHBondContact O-CB 3.31Å; P194-E197 PolarHBondContact O-N 2.8Å; P194-Q198 WeakPolarHBondContact O-CG 3.35Å; P194-Q198 PolarHBondContact O-N 2.83Å
195	V	97.6	Very high	97.7	Very high	108 Å²	108	52.9 Å²	52.9	66%	0.655	30%	0.296	S	S	*	.	H	α-helix	trans	-59.5	-36.7	-175.9	177	0	0	0	0	111.4	N193 E197 Q198 A199	N193-V195 PolarHBondContact O-N 3.22Å; V195-E197 VanDerWaalsContact C-N 3.3Å; V195-E197 PolarHBondContact O-N 2.94Å; V195-Q198 PolarHBondContact O-N 3.36Å; V195-A199 WeakPolarHBondContact O-CB 3.26Å; V195-A199 PolarHBondContact O-N 2.86Å
196	E	97.5	Very high	97.6	Very high	148 Å²	148	53.2 Å²	53.2	69%	0.692	30%	0.299	S	S	*	.	H	α-helix	trans	-66.9	-32.5	177	-53.8	81.4	-174	0	0	112.1	P194 R200	P194-E196 PolarHBondContact O-N 3.07Å; E196-R200 WeakPolarHBondContact O-CG 3.24Å
197	E	97.9	Very high	97.6	Very high	17 Å²	17	54 Å²	54	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-74.6	-43.1	175.9	-170.5	179.5	-124.2	0	0	110.6	P194 V195 A199 R200 Y201 K367 M469 R473	P194-E197 HydrophobicContact CB-CB 4.21Å; P194-E197 WeakPolarHBondContact O-CA 3.38Å; P194-E197 WeakPolarHBondContact O-CB 3.31Å; P194-E197 PolarHBondContact O-N 2.8Å; V195-E197 VanDerWaalsContact C-N 3.3Å; V195-E197 PolarHBondContact O-N 2.94Å; E197-A199 VanDerWaalsContact C-N 3.3Å; E197-A199 PolarHBondContact O-N 2.7Å; E197-R200 WeakPolarHBondContact O-CB 3.42Å; E197-R200 PolarHBondContact O-N 2.94Å; E197-Y201 HydrophobicContact CG-CE2 4.34Å; E197-Y201 VanDerWaalsContact O-CD2 3.25Å; E197-Y201 WeakPolarHBondContact O-CD2 3.31Å; E197-Y201 VanDerWaalsContact O-CE2 3.23Å; E197-Y201 WeakPolarHBondContact O-CE2 3.38Å; E197-K367 IonicContact OE1-NZ 3.49Å; E197-K367 PolarHBondContact OE1-NZ 2.81Å; E197-M469 HydrophobicContact CG-CE 4.26Å; E197-M469 HydrophobicContact CG-SD 3.9Å; E197-R473 IonicContact OE1-CZ 3.47Å; E197-R473 IonicContact OE1-NE 2.77Å; E197-R473 PolarHBondContact OE1-NE 3.49Å; E197-R473 IonicContact OE1-NH2 3.34Å; E197-R473 IonicContact OE2-CZ 3.65Å; E197-R473 VanDerWaalsContact OE2-CZ 3.31Å; E197-R473 IonicContact OE2-NE 3.63Å; E197-R473 PolarHBondContact OE2-NE 2.72Å; E197-R473 VanDerWaalsContact OE2-NE 3.14Å; E197-R473 IonicContact OE2-NH2 3.61Å; E197-R473 PolarHBondContact OE2-NH2 2.83Å
198	Q	98	Very high	97.6	Very high	31 Å²	31	55.4 Å²	55.4	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-43.4	174.9	-65.7	-178.5	52.5	0	0	111.7	Y190 L191 N193 P194 V195 R200 Y201	Y190-Q198 HydrophobicContact CE1-CB 4.47Å; Y190-Q198 HydrophobicContact CE1-CG 4.02Å; L191-Q198 VanDerWaalsContact CD2-OE1 3.32Å; L191-Q198 PolarHBondContact O-NE2 2.77Å; N193-Q198 HydrophobicContact CB-CG 4.21Å; N193-Q198 PolarHBondContact O-NE2 3Å; P194-Q198 WeakPolarHBondContact O-CG 3.35Å; P194-Q198 PolarHBondContact O-N 2.83Å; V195-Q198 PolarHBondContact O-N 3.36Å; Q198-R200 PolarHBondContact O-N 3.28Å; Q198-R200 VanDerWaalsContact O-N 3.08Å; Q198-Y201 PolarHBondContact O-N 2.87Å; Q198-Y201 VanDerWaalsContact O-N 3.08Å
199	A	97.8	Very high	97.6	Very high	84 Å²	84	55.1 Å²	55.1	69%	0.694	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.8	-178.1	0	0	0	0	0	114.5	V195 E197 Y201	V195-A199 WeakPolarHBondContact O-CB 3.26Å; V195-A199 PolarHBondContact O-N 2.86Å; E197-A199 VanDerWaalsContact C-N 3.3Å; E197-A199 PolarHBondContact O-N 2.7Å; A199-Y201 VanDerWaalsContact C-N 3.26Å
200	R	97.7	Very high	97.6	Very high	142 Å²	142	56 Å²	56	54%	0.536	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.2	174.7	-63	166.4	64.7	-157.6	-1.8	113	E196 E197 Q198 E476	E196-R200 WeakPolarHBondContact O-CG 3.24Å; E197-R200 WeakPolarHBondContact O-CB 3.42Å; E197-R200 PolarHBondContact O-N 2.94Å; Q198-R200 PolarHBondContact O-N 3.28Å; Q198-R200 VanDerWaalsContact O-N 3.08Å; R200-E476 IonicContact CZ-OE1 2.64Å; R200-E476 IonicContact CZ-OE2 2.89Å; R200-E476 VanDerWaalsContact CZ-OE2 3.28Å; R200-E476 IonicContact NH1-OE1 3.28Å; R200-E476 IonicContact NH1-OE2 2.94Å; R200-E476 PolarHBondContact NH1-OE2 2.85Å; R200-E476 IonicContact NH2-OE1 3.72Å; R200-E476 PolarHBondContact NH2-OE1 3.36Å; R200-E476 IonicContact NH2-OE2 3.46Å; R200-E476 PolarHBondContact NH2-OE2 2.86Å
201	Y	96.6	Very high	97.6	Very high	52 Å²	52	55.6 Å²	55.6	20%	0.204	31%	0.308	C	S	.	.	S	Bend	trans	-123.8	137.6	-175.7	-46.6	-80	0	0	0	110.4	E197 Q198 A199 E203 M469 R472 E476	E197-Y201 HydrophobicContact CG-CE2 4.34Å; E197-Y201 VanDerWaalsContact O-CD2 3.25Å; E197-Y201 WeakPolarHBondContact O-CD2 3.31Å; E197-Y201 VanDerWaalsContact O-CE2 3.23Å; E197-Y201 WeakPolarHBondContact O-CE2 3.38Å; Q198-Y201 PolarHBondContact O-N 2.87Å; Q198-Y201 VanDerWaalsContact O-N 3.08Å; A199-Y201 VanDerWaalsContact C-N 3.26Å; Y201-E203 VanDerWaalsContact C-N 3.3Å; Y201-E203 PolarHBondContact O-N 2.96Å; Y201-M469 HydrophobicContact CD2-CE 3.92Å; Y201-M469 HydrophobicContact CD2-SD 4.45Å; Y201-M469 HydrophobicContact CE2-CE 3.81Å; Y201-M469 HydrophobicContact CE2-SD 3.78Å; Y201-R472 VanDerWaalsContact CD2-NH1 3.29Å; Y201-R472 HydrophobicContact CE1-CB 4.42Å; Y201-R472 HydrophobicContact CE1-CG 4.04Å; Y201-E476 PolarHBondContact OH-OE1 3.16Å
202	G	92.7	Very high	97.6	Very high	87 Å²	87	51.1 Å²	51.1	90%	0.897	29%	0.285	S	S	*	.	S	Bend	trans	-73.4	-18.9	-179.2	0	0	0	0	0	114.6
203	E	95	Very high	97.7	Very high	79 Å²	79	47.6 Å²	47.6	37%	0.369	27%	0.268	S	S	.	.	S	Bend	trans	-143.6	158.5	-176	-63.1	-164.5	-135.9	0	0	111.8	H179 Y201 V205 K207 R472	H179-E203 IonicContact CE1-OE1 2.73Å; H179-E203 IonicContact ND1-OE1 3.53Å; H179-E203 PolarHBondContact ND1-OE1 2.75Å; Y201-E203 VanDerWaalsContact C-N 3.3Å; Y201-E203 PolarHBondContact O-N 2.96Å; E203-V205 VanDerWaalsContact C-N 3.27Å; E203-V205 PolarHBondContact O-N 2.76Å; E203-K207 VanDerWaalsContact CD-CE 3.43Å; E203-K207 WeakPolarHBondContact OE2-CE 3.42Å; E203-K207 IonicContact OE2-NZ 2.8Å; E203-R472 PolarHBondContact O-NH1 3.4Å; E203-R472 PolarHBondContact O-NH2 3.02Å
204	N	98.1	Very high	97.7	Very high	55 Å²	55	47.5 Å²	47.5	29%	0.294	27%	0.267	S	S	.	.	S	Bend	trans	-88.2	15.9	178.7	66	-1.6	0	0	0	114.2	N184 Y190 T468	N184-N204 HydrophobicContact CB-CB 4.4Å; N184-N204 PolarHBondContact ND2-O 2.89Å; Y190-N204 HydrophobicContact CD1-CB 3.55Å; Y190-N204 HydrophobicContact CD2-CB 3.92Å; Y190-N204 HydrophobicContact CE1-CB 3.55Å; Y190-N204 HydrophobicContact CE2-CB 3.9Å; Y190-N204 HydrophobicContact CG-CB 3.75Å; N204-T468 PolarHBondContact O-OG1 2.02Å
205	V	98.5	Very high	97.7	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	25%	0.253	C	S	.	.	S	Bend	trans	-137.4	154.4	169.4	-60.4	0	0	0	0	109.2	N184 E203 K207 V281 R472	N184-V205 HydrophobicContact CB-CG1 3.72Å; N184-V205 VanDerWaalsContact N-CG1 3.33Å; E203-V205 VanDerWaalsContact C-N 3.27Å; E203-V205 PolarHBondContact O-N 2.76Å; V205-K207 HydrophobicContact CG2-CD 3.8Å; V205-K207 HydrophobicContact CG2-CG 4.37Å; V205-K207 PolarHBondContact O-N 3Å; V205-V281 HydrophobicContact CB-CG1 4.24Å; V205-V281 HydrophobicContact CB-CG2 4.35Å; V205-V281 HydrophobicContact CG1-CG1 4.03Å; V205-V281 HydrophobicContact CG1-CG2 4.13Å; V205-R472 PolarHBondContact O-NH2 3.31Å
206	D	97.9	Very high	97.7	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.102	23%	0.228	C	C	.	.			trans	-79.3	109.9	174.6	-80.8	-3.1	0	0	0	110.5	A229 N277 R472 R475	D206-A229 HydrophobicContact CB-CB 4.45Å; D206-N277 PolarHBondContact OD2-ND2 2.87Å; D206-N277 PolarHBondContact OD2-OD1 2.89Å; D206-R472 IonicContact OD1-CZ 2.69Å; D206-R472 VanDerWaalsContact OD1-CZ 3.3Å; D206-R472 IonicContact OD1-NE 3.7Å; D206-R472 PolarHBondContact OD1-NE 3.09Å; D206-R472 IonicContact OD1-NH2 3.68Å; D206-R472 PolarHBondContact OD1-NH2 3.29Å; D206-R475 IonicContact OD2-CZ 2.74Å; D206-R475 IonicContact OD2-NH1 2.65Å; D206-R475 PolarHBondContact OD2-NH1 3.38Å; D206-R475 VanDerWaalsContact OD2-NH1 3.14Å; D206-R475 IonicContact OD2-NH2 2.75Å; D206-R475 PolarHBondContact OD2-NH2 2.87Å
207	K	97.9	Very high	97.6	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.078	21%	0.212	C	C	.	.			trans	-85.3	-20.7	179.7	-63.5	-59.9	-174.5	-168.7	0	113.9	D177 L178 S182 E203 V205 M209 F228	D177-K207 CarbonylContact C-O 3.59Å; D177-K207 WeakPolarHBondContact CA-O 3.39Å; D177-K207 HydrophobicContact CB-CB 4.06Å; L178-K207 PolarHBondContact N-O 3.43Å; L178-K207 WeakPolarHBondContact O-CD 3.13Å; S182-K207 PolarHBondContact O-NZ 3.08Å; S182-K207 PolarHBondContact OG-NZ 2.94Å; S182-K207 VanDerWaalsContact OG-NZ 3.1Å; E203-K207 VanDerWaalsContact CD-CE 3.43Å; E203-K207 WeakPolarHBondContact OE2-CE 3.42Å; E203-K207 IonicContact OE2-NZ 2.8Å; V205-K207 HydrophobicContact CG2-CD 3.8Å; V205-K207 HydrophobicContact CG2-CG 4.37Å; V205-K207 PolarHBondContact O-N 3Å; K207-M209 PolarHBondContact O-N 3.37Å; K207-F228 WeakPolarHBondContact O-CE2 3.4Å
208	N	97.8	Very high	97.4	Very high	58 Å²	58	43.7 Å²	43.7	31%	0.31	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	119.8	-175.4	-171.8	-60.6	0	0	0	110.6	D177 I210	D177-N208 WeakPolarHBondContact OD1-CA 3.46Å; D177-N208 PolarHBondContact OD1-N 2.88Å; N208-I210 WeakPolarHBondContact OD1-CG1 3.49Å
209	M	98.7	Very high	97.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.4	167.9	177.2	179.9	-70.1	0	0	108.8	E175 G176 L178 K207 N226 W227 F228 Q331 K334 A335 L338	E175-M209 CarbonylContact C-O 3.49Å; E175-M209 WeakPolarHBondContact CA-O 3.44Å; G176-M209 PolarHBondContact N-O 3.42Å; G176-M209 PolarHBondContact O-N 3.34Å; L178-M209 HydrophobicContact CD2-CE 3.59Å; K207-M209 PolarHBondContact O-N 3.37Å; M209-N226 HydrophobicContact CG-CB 4.37Å; M209-N226 HydrophobicContact SD-CB 4.46Å; M209-W227 WeakPolarHBondContact CA-O 3.41Å; M209-F228 HydrophobicContact CB-CB 4.37Å; M209-F228 HydrophobicContact CB-CD2 4.2Å; M209-F228 HydrophobicContact CE-CB 3.87Å; M209-F228 HydrophobicContact CE-CD1 4.34Å; M209-F228 HydrophobicContact CE-CD2 4.49Å; M209-F228 HydrophobicContact CE-CG 3.99Å; M209-F228 HydrophobicContact CG-CB 4.28Å; M209-Q331 HydrophobicContact CE-CB 4.29Å; M209-Q331 HydrophobicContact CE-CG 4.39Å; M209-K334 HydrophobicContact CB-CG 4.47Å; M209-K334 HydrophobicContact CE-CB 4.27Å; M209-K334 HydrophobicContact CE-CG 4.33Å; M209-K334 HydrophobicContact SD-CB 4.04Å; M209-K334 HydrophobicContact SD-CG 3.78Å; M209-A335 HydrophobicContact SD-CB 4.01Å; M209-L338 HydrophobicContact CB-CD1 4.11Å; M209-L338 HydrophobicContact CG-CD1 3.89Å; M209-L338 WeakPolarHBondContact O-CD1 3.42Å; M209-L338 HydrophobicContact SD-CD1 4.06Å
210	I	98.6	Very high	97.3	Very high	24 Å²	24	47.3 Å²	47.3	12%	0.123	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.6	176.9	-54.8	173.7	0	0	0	108.7	K173 E175 N208 N226 W227 I500	K173-I210 HydrophobicContact CG-CG2 4.5Å; E175-I210 HydrophobicContact CB-CG1 4.26Å; N208-I210 WeakPolarHBondContact OD1-CG1 3.49Å; I210-N226 CarbonylContact O-C 3.47Å; I210-N226 WeakPolarHBondContact O-CA 3.42Å; I210-W227 PolarHBondContact N-O 3.33Å; I210-W227 VanDerWaalsContact N-O 3.1Å; I210-W227 PolarHBondContact O-N 2.95Å; I210-I500 HydrophobicContact CB-CG1 4.49Å; I210-I500 HydrophobicContact CD1-CG1 3.96Å; I210-I500 HydrophobicContact CG2-CD1 3.73Å; I210-I500 HydrophobicContact CG2-CG1 3.97Å
211	L	98.8	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.4	-179.7	-177.8	146.7	0	0	0	110.9	K173 A174 K213 M224 I225 N226 A335 L338 F339	K173-L211 WeakPolarHBondContact CA-O 3.14Å; A174-L211 PolarHBondContact N-O 2.87Å; A174-L211 PolarHBondContact O-N 3.45Å; L211-K213 HydrophobicContact CD2-CB 3.82Å; L211-M224 HydrophobicContact CD1-CE 4.44Å; L211-M224 HydrophobicContact CD1-SD 4.32Å; L211-M224 HydrophobicContact CG-CB 4.5Å; L211-I225 WeakPolarHBondContact CA-O 3.36Å; L211-N226 HydrophobicContact CB-CB 4.28Å; L211-N226 HydrophobicContact CD1-CB 4.29Å; L211-N226 HydrophobicContact CG-CB 4.4Å; L211-A335 HydrophobicContact CD1-CB 4.11Å; L211-A335 WeakPolarHBondContact CD1-O 3.23Å; L211-L338 HydrophobicContact CB-CB 4.18Å; L211-L338 HydrophobicContact CB-CD1 4.29Å; L211-L338 HydrophobicContact CD1-CB 4.24Å; L211-F339 HydrophobicContact CD1-CB 4.03Å; L211-F339 HydrophobicContact CD2-CB 4.29Å; L211-F339 HydrophobicContact CD2-CD2 4.4Å
212	L	98.8	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.8	164.8	-60.5	-176.6	0	0	0	109.3	I171 L172 K173 F214 M224 I225 W227 I346 L457 I459 I500	I171-L212 HydrophobicContact CG2-CB 4.33Å; I171-L212 HydrophobicContact CG2-CD2 4.31Å; L172-L212 CarbonylContact O-C 2.96Å; L172-L212 WeakPolarHBondContact O-CA 3.13Å; K173-L212 HydrophobicContact CB-CD2 3.97Å; K173-L212 HydrophobicContact CD-CD2 4.49Å; K173-L212 HydrophobicContact CG-CD2 4.15Å; L212-F214 HydrophobicContact CB-CE2 4.29Å; L212-F214 HydrophobicContact CB-CZ 4.15Å; L212-M224 CarbonylContact O-C 3.58Å; L212-M224 WeakPolarHBondContact O-CA 3.29Å; L212-M224 VanDerWaalsContact O-CB 3.29Å; L212-M224 WeakPolarHBondContact O-CB 3.5Å; L212-I225 PolarHBondContact N-O 3.45Å; L212-I225 PolarHBondContact O-N 2.89Å; L212-W227 HydrophobicContact CB-CZ3 4.27Å; L212-W227 HydrophobicContact CD1-CH2 3.92Å; L212-W227 HydrophobicContact CD1-CZ3 3.82Å; L212-W227 HydrophobicContact CG-CH2 4.42Å; L212-W227 HydrophobicContact CG-CZ3 3.82Å; L212-I346 HydrophobicContact CD2-CG1 4.49Å; L212-L457 HydrophobicContact CD1-CD2 3.9Å; L212-L457 HydrophobicContact CD2-CD2 3.73Å; L212-L457 HydrophobicContact CG-CD2 4.41Å; L212-I459 HydrophobicContact CD1-CD1 4.44Å; L212-I500 HydrophobicContact CD1-CD1 4.28Å; L212-I500 HydrophobicContact CG-CD1 4.35Å
213	K	98.7	Very high	97.7	Very high	26 Å²	26	36.7 Å²	36.7	11%	0.113	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.5	177.7	168.7	177.1	-174.7	179.5	0	109.1	I171 L172 L211 V215 F339 A342	I171-K213 WeakPolarHBondContact CA-O 3.14Å; L172-K213 HydrophobicContact CB-CB 4.25Å; L172-K213 HydrophobicContact CD1-CD 4.29Å; L172-K213 PolarHBondContact N-O 2.68Å; L172-K213 PolarHBondContact O-N 2.94Å; L211-K213 HydrophobicContact CD2-CB 3.82Å; K213-V215 HydrophobicContact CD-CG1 4.29Å; K213-V215 HydrophobicContact CG-CG1 3.99Å; K213-F339 HydrophobicContact CB-CD2 4.04Å; K213-F339 HydrophobicContact CB-CE2 4.27Å; K213-F339 HydrophobicContact CD-CD2 3.74Å; K213-F339 HydrophobicContact CD-CE2 3.77Å; K213-F339 HydrophobicContact CD-CG 4.2Å; K213-F339 HydrophobicContact CD-CZ 4.25Å; K213-F339 WeakPolarHBondContact CD-O 3.34Å; K213-F339 HydrophobicContact CG-CD2 3.79Å; K213-F339 HydrophobicContact CG-CE2 3.61Å; K213-F339 HydrophobicContact CG-CZ 4.4Å; K213-F339 PolarHBondContact NZ-O 2.61Å; K213-A342 HydrophobicContact CB-CB 4.31Å; K213-A342 HydrophobicContact CD-CB 4.07Å
214	F	98.6	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.7	178.3	-56.8	-82.2	0	0	0	109.4	I31 F69 I71 I171 L212 P221 I222 G223 I225	I31-F214 HydrophobicContact CD1-CD1 4.26Å; I31-F214 HydrophobicContact CG2-CB 4.03Å; I31-F214 HydrophobicContact CG2-CD1 3.58Å; I31-F214 HydrophobicContact CG2-CE1 4.41Å; I31-F214 HydrophobicContact CG2-CG 4.05Å; F69-F214 AromaticContact CD1-CD2 3.82Å; F69-F214 HydrophobicContact CD1-CD2 3.82Å; F69-F214 AromaticContact CD1-CE2 3.54Å; F69-F214 HydrophobicContact CD1-CE2 3.54Å; F69-F214 HydrophobicContact CD1-CZ 4.16Å; F69-F214 HydrophobicContact CE1-CD2 4.06Å; F69-F214 AromaticContact CE1-CE2 3.93Å; F69-F214 HydrophobicContact CE1-CE2 3.93Å; F69-F214 HydrophobicContact CG-CE2 4.36Å; I71-F214 HydrophobicContact CD1-CE1 3.73Å; I71-F214 HydrophobicContact CD1-CZ 4.25Å; I71-F214 HydrophobicContact CG1-CE1 4.11Å; I171-F214 HydrophobicContact CD1-CD1 4.22Å; I171-F214 HydrophobicContact CD1-CE1 3.87Å; I171-F214 HydrophobicContact CG1-CD1 3.83Å; I171-F214 HydrophobicContact CG1-CE1 3.92Å; I171-F214 HydrophobicContact CG2-CD1 4.46Å; I171-F214 HydrophobicContact CG2-CE1 4.17Å; L212-F214 HydrophobicContact CB-CE2 4.29Å; L212-F214 HydrophobicContact CB-CZ 4.15Å; F214-P221 WeakPolarHBondContact O-CA 3.33Å; F214-I222 HydrophobicContact CB-CD1 4.27Å; F214-I222 HydrophobicContact CB-CG1 3.75Å; F214-I222 WeakPolarHBondContact O-CG1 3.42Å; F214-I222 PolarHBondContact O-N 2.94Å; F214-G223 PolarHBondContact N-O 3.38Å; F214-G223 PolarHBondContact O-N 3.21Å; F214-I225 HydrophobicContact CE2-CD1 4.01Å; F214-I225 HydrophobicContact CE2-CG1 3.96Å; F214-I225 HydrophobicContact CZ-CD1 4Å; F214-I225 HydrophobicContact CZ-CG1 4.45Å
215	V	98.2	Very high	97.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.5	178	-62	0	0	0	0	110.5	G169 K170 L172 K213 T220 P221	G169-V215 CarbonylContact C-O 3.58Å; G169-V215 WeakPolarHBondContact CA-O 3.36Å; K170-V215 HydrophobicContact CB-CG2 3.85Å; K170-V215 PolarHBondContact N-O 3.46Å; K170-V215 PolarHBondContact O-N 3.36Å; L172-V215 HydrophobicContact CD1-CG1 4.47Å; L172-V215 HydrophobicContact CD1-CG2 4.38Å; K213-V215 HydrophobicContact CD-CG1 4.29Å; K213-V215 HydrophobicContact CG-CG1 3.99Å; V215-T220 CarbonylContact C-O 3.56Å; V215-T220 VanDerWaalsContact CA-O 3.3Å; V215-T220 WeakPolarHBondContact CA-O 3.48Å; V215-P221 HydrophobicContact CG1-CB 4.42Å
216	T	97.5	Very high	97.9	Very high	20 Å²	20	30.2 Å²	30.2	12%	0.123	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	170.6	166.6	67.5	0	0	0	0	111.1	K167 E168 N218 N219 T220 I222	K167-T216 HydrophobicContact CD-CG2 4.21Å; E168-T216 WeakPolarHBondContact O-CA 3.42Å; T216-N218 PolarHBondContact O-N 3.31Å; T216-N218 VanDerWaalsContact O-N 3.08Å; T216-N218 PolarHBondContact OG1-N 3.01Å; T216-N219 WeakPolarHBondContact O-CA 3.28Å; T216-N219 PolarHBondContact O-N 3.35Å; T216-T220 PolarHBondContact N-O 3.42Å; T216-T220 WeakPolarHBondContact OG1-CB 3.36Å; T216-T220 PolarHBondContact OG1-N 3.28Å; T216-I222 HydrophobicContact CG2-CG2 3.69Å
217	M	95.5	Very high	97.9	Very high	74 Å²	74	29.5 Å²	29.5	37%	0.365	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.5	172.4	-66.7	-53.7	-71	0	0	114.1	N27 E168 K170 N219	N27-M217 VanDerWaalsContact O-CE 3.27Å; N27-M217 WeakPolarHBondContact O-CE 2.95Å; E168-M217 HydrophobicContact CB-CG 3.74Å; E168-M217 PolarHBondContact O-N 2.83Å; E168-M217 VanDerWaalsContact O-N 3.08Å; K170-M217 HydrophobicContact CG-SD 4.28Å; M217-N219 VanDerWaalsContact C-N 3.28Å; M217-N219 PolarHBondContact O-N 3.41Å
218	N	95.3	Very high	98	Very high	143 Å²	143	28.7 Å²	28.7	77%	0.765	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	16.8	175	-67	-14	0	0	0	113	T216 T220	T216-N218 PolarHBondContact O-N 3.31Å; T216-N218 VanDerWaalsContact O-N 3.08Å; T216-N218 PolarHBondContact OG1-N 3.01Å; N218-T220 PolarHBondContact O-N 3.44Å; N218-T220 VanDerWaalsContact O-N 3.16Å
219	N	95.1	Very high	98	Very high	109 Å²	109	26 Å²	26	58%	0.583	14%	0.142	S	C	*	.			trans	59.5	19.8	-176.8	-61.2	-48.4	0	0	0	114.8	T216 M217 P221	T216-N219 WeakPolarHBondContact O-CA 3.28Å; T216-N219 PolarHBondContact O-N 3.35Å; M217-N219 VanDerWaalsContact C-N 3.28Å; M217-N219 PolarHBondContact O-N 3.41Å; N219-P221 WeakPolarHBondContact O-CD 3.48Å
220	T	97.1	Very high	98	Very high	82 Å²	82	26 Å²	26	50%	0.503	14%	0.142	S	C	.	.			trans	-75.8	120	172.8	-51.6	0	0	0	0	109	V215 T216 N218	V215-T220 CarbonylContact C-O 3.56Å; V215-T220 VanDerWaalsContact CA-O 3.3Å; V215-T220 WeakPolarHBondContact CA-O 3.48Å; T216-T220 PolarHBondContact N-O 3.42Å; T216-T220 WeakPolarHBondContact OG1-CB 3.36Å; T216-T220 PolarHBondContact OG1-N 3.28Å; N218-T220 PolarHBondContact O-N 3.44Å; N218-T220 VanDerWaalsContact O-N 3.16Å
221	P	98	Very high	98	Very high	43 Å²	43	24.8 Å²	24.8	28%	0.279	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.2	178.7	-15.4	29.7	0	0	0	111.9	F214 V215 N219 M258 F269 F339	F214-P221 WeakPolarHBondContact O-CA 3.33Å; V215-P221 HydrophobicContact CG1-CB 4.42Å; N219-P221 WeakPolarHBondContact O-CD 3.48Å; P221-M258 HydrophobicContact CB-CE 3.93Å; P221-M258 HydrophobicContact CG-CE 4.23Å; P221-F269 HydrophobicContact CB-CD2 4.29Å; P221-F269 HydrophobicContact CB-CE2 3.82Å; P221-F339 HydrophobicContact CB-CE1 4.41Å; P221-F339 HydrophobicContact CB-CE2 4.2Å; P221-F339 HydrophobicContact CB-CZ 3.48Å; P221-F339 VanDerWaalsContact CB-CZ 3.48Å; P221-F339 HydrophobicContact CG-CE1 4.37Å; P221-F339 HydrophobicContact CG-CZ 3.88Å
222	I	98.3	Very high	98	Very high	16 Å²	16	24.8 Å²	24.8	8%	0.082	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-23.8	179	60	172.5	0	0	0	112.4	I31 V33 F214 T216 F269 V270	I31-I222 HydrophobicContact CB-CD1 4.11Å; I31-I222 HydrophobicContact CG2-CD1 3.84Å; V33-I222 HydrophobicContact CG1-CD1 4.43Å; V33-I222 HydrophobicContact CG1-CG1 4.36Å; V33-I222 HydrophobicContact CG2-CB 4.26Å; V33-I222 WeakPolarHBondContact CG2-O 3.27Å; F214-I222 HydrophobicContact CB-CD1 4.27Å; F214-I222 HydrophobicContact CB-CG1 3.75Å; F214-I222 WeakPolarHBondContact O-CG1 3.42Å; F214-I222 PolarHBondContact O-N 2.94Å; T216-I222 HydrophobicContact CG2-CG2 3.69Å; I222-F269 VanDerWaalsContact C-CD2 3.43Å; I222-F269 WeakPolarHBondContact O-CA 3.47Å; I222-V270 PolarHBondContact O-N 2.79Å
223	G	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	179.2	173	0	0	0	0	0	113.3	F214 F269 V270	F214-G223 PolarHBondContact N-O 3.38Å; F214-G223 PolarHBondContact O-N 3.21Å; G223-F269 VanDerWaalsContact C-CZ 3.46Å; G223-F269 VanDerWaalsContact N-CE2 3.31Å; G223-V270 CarbonylContact C-O 3.56Å; G223-V270 WeakPolarHBondContact CA-O 3.39Å
224	M	98.8	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.9	167.9	65.3	78.4	152.1	0	0	111.8	F69 L211 L212 F254 F269 V270 A271 A272 F273 A335 F339	F69-M224 WeakPolarHBondContact CE1-O 3.44Å; F69-M224 VanDerWaalsContact CZ-O 3.24Å; F69-M224 WeakPolarHBondContact CZ-O 3.27Å; L211-M224 HydrophobicContact CD1-CE 4.44Å; L211-M224 HydrophobicContact CD1-SD 4.32Å; L211-M224 HydrophobicContact CG-CB 4.5Å; L212-M224 CarbonylContact O-C 3.58Å; L212-M224 WeakPolarHBondContact O-CA 3.29Å; L212-M224 VanDerWaalsContact O-CB 3.29Å; L212-M224 WeakPolarHBondContact O-CB 3.5Å; M224-F254 HydrophobicContact CE-CB 4.26Å; M224-F254 HydrophobicContact CE-CD1 4.01Å; M224-F254 HydrophobicContact CE-CD2 3.21Å; M224-F254 HydrophobicContact CE-CE1 4.12Å; M224-F254 HydrophobicContact CE-CE2 3.33Å; M224-F254 HydrophobicContact CE-CG 3.56Å; M224-F254 HydrophobicContact CE-CZ 3.81Å; M224-F254 HydrophobicContact CG-CD1 4.46Å; M224-F254 HydrophobicContact CG-CE1 4.03Å; M224-F254 HydrophobicContact CG-CZ 4.05Å; M224-F269 HydrophobicContact CB-CZ 4.3Å; M224-F269 HydrophobicContact CG-CE1 4.15Å; M224-F269 HydrophobicContact CG-CZ 3.95Å; M224-V270 PolarHBondContact N-O 2.84Å; M224-A271 HydrophobicContact CE-CB 3.97Å; M224-A271 HydrophobicContact CG-CB 4.25Å; M224-A271 WeakPolarHBondContact O-CA 3.27Å; M224-A271 HydrophobicContact SD-CB 4.12Å; M224-A272 PolarHBondContact O-N 3.48Å; M224-F273 HydrophobicContact CE-CD2 4.41Å; M224-F273 HydrophobicContact CE-CE2 3.57Å; M224-F273 HydrophobicContact CE-CZ 3.8Å; M224-A335 HydrophobicContact CE-CB 4.02Å; M224-F339 HydrophobicContact CB-CD2 4.07Å; M224-F339 HydrophobicContact CB-CE2 4.27Å; M224-F339 HydrophobicContact CG-CD2 4.26Å
225	I	98.8	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.8	163	-52.1	158.8	0	0	0	107.4	F69 I82 I84 L211 L212 F214 W227 A272 A274	F69-I225 HydrophobicContact CB-CD1 4.02Å; F69-I225 HydrophobicContact CD1-CD1 4.02Å; F69-I225 HydrophobicContact CD1-CG1 3.84Å; F69-I225 HydrophobicContact CD2-CD1 3.54Å; F69-I225 HydrophobicContact CD2-CG1 3.53Å; F69-I225 HydrophobicContact CE1-CD1 4.4Å; F69-I225 HydrophobicContact CE1-CG1 3.71Å; F69-I225 HydrophobicContact CE2-CD1 3.98Å; F69-I225 HydrophobicContact CE2-CG1 3.41Å; F69-I225 VanDerWaalsContact CE2-CG1 3.41Å; F69-I225 HydrophobicContact CG-CD1 3.58Å; F69-I225 HydrophobicContact CG-CG1 3.77Å; F69-I225 HydrophobicContact CZ-CD1 4.39Å; F69-I225 HydrophobicContact CZ-CG1 3.5Å; F69-I225 VanDerWaalsContact CZ-CG1 3.5Å; I82-I225 HydrophobicContact CB-CD1 4.34Å; I82-I225 HydrophobicContact CD1-CD1 4.4Å; I82-I225 HydrophobicContact CG2-CD1 4.01Å; I84-I225 HydrophobicContact CG1-CG2 4.3Å; L211-I225 WeakPolarHBondContact CA-O 3.36Å; L212-I225 PolarHBondContact N-O 3.45Å; L212-I225 PolarHBondContact O-N 2.89Å; F214-I225 HydrophobicContact CE2-CD1 4.01Å; F214-I225 HydrophobicContact CE2-CG1 3.96Å; F214-I225 HydrophobicContact CZ-CD1 4Å; F214-I225 HydrophobicContact CZ-CG1 4.45Å; I225-W227 HydrophobicContact CB-CE3 4.29Å; I225-W227 HydrophobicContact CB-CH2 3.53Å; I225-W227 HydrophobicContact CB-CZ2 4.26Å; I225-W227 HydrophobicContact CB-CZ3 3.53Å; I225-W227 HydrophobicContact CD1-CH2 3.73Å; I225-W227 HydrophobicContact CD1-CZ2 4.31Å; I225-W227 HydrophobicContact CG1-CH2 4.25Å; I225-W227 HydrophobicContact CG2-CD2 4.03Å; I225-W227 HydrophobicContact CG2-CE3 3.8Å; I225-W227 HydrophobicContact CG2-CH2 3.28Å; I225-W227 HydrophobicContact CG2-CZ2 3.52Å; I225-W227 HydrophobicContact CG2-CZ3 3.42Å; I225-W227 VanDerWaalsContact CG2-CZ3 3.42Å; I225-A272 CarbonylContact C-O 3.58Å; I225-A272 WeakPolarHBondContact CA-O 3.35Å; I225-A272 HydrophobicContact CG1-CB 4.32Å; I225-A272 HydrophobicContact CG2-CB 4.26Å; I225-A274 HydrophobicContact CG2-CB 4.22Å
226	N	97.9	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.5	169	75.5	-73.9	0	0	0	111.7	M209 I210 L211 A272 F273 A274	M209-N226 HydrophobicContact CG-CB 4.37Å; M209-N226 HydrophobicContact SD-CB 4.46Å; I210-N226 CarbonylContact O-C 3.47Å; I210-N226 WeakPolarHBondContact O-CA 3.42Å; L211-N226 HydrophobicContact CB-CB 4.28Å; L211-N226 HydrophobicContact CD1-CB 4.29Å; L211-N226 HydrophobicContact CG-CB 4.4Å; N226-A272 PolarHBondContact N-O 3.1Å; N226-A272 PolarHBondContact OD1-O 3.07Å; N226-F273 VanDerWaalsContact CG-CD1 3.5Å; N226-F273 WeakPolarHBondContact ND2-CD1 3.47Å; N226-F273 WeakPolarHBondContact ND2-CE1 3.35Å; N226-F273 CarbonylContact O-C 3.51Å; N226-F273 VanDerWaalsContact OD1-CA 3.28Å; N226-F273 WeakPolarHBondContact OD1-CA 3.49Å; N226-F273 WeakPolarHBondContact OD1-CD1 3.23Å; N226-F273 VanDerWaalsContact OD1-CD2 3.25Å; N226-F273 WeakPolarHBondContact OD1-CD2 3.47Å; N226-F273 VanDerWaalsContact OD1-CE1 3.32Å; N226-F273 WeakPolarHBondContact OD1-CE1 3.48Å; N226-F273 WeakPolarHBondContact OD1-CG 3.21Å; N226-A274 PolarHBondContact O-N 3.23Å
227	W	98.9	Very high	97.8	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129	176.6	-71.2	-101.4	0	0	0	109.6	M209 I210 L212 I225 A274 Q275 I459 I500 S502	M209-W227 WeakPolarHBondContact CA-O 3.41Å; I210-W227 PolarHBondContact N-O 3.33Å; I210-W227 VanDerWaalsContact N-O 3.1Å; I210-W227 PolarHBondContact O-N 2.95Å; L212-W227 HydrophobicContact CB-CZ3 4.27Å; L212-W227 HydrophobicContact CD1-CH2 3.92Å; L212-W227 HydrophobicContact CD1-CZ3 3.82Å; L212-W227 HydrophobicContact CG-CH2 4.42Å; L212-W227 HydrophobicContact CG-CZ3 3.82Å; I225-W227 HydrophobicContact CB-CE3 4.29Å; I225-W227 HydrophobicContact CB-CH2 3.53Å; I225-W227 HydrophobicContact CB-CZ2 4.26Å; I225-W227 HydrophobicContact CB-CZ3 3.53Å; I225-W227 HydrophobicContact CD1-CH2 3.73Å; I225-W227 HydrophobicContact CD1-CZ2 4.31Å; I225-W227 HydrophobicContact CG1-CH2 4.25Å; I225-W227 HydrophobicContact CG2-CD2 4.03Å; I225-W227 HydrophobicContact CG2-CE3 3.8Å; I225-W227 HydrophobicContact CG2-CH2 3.28Å; I225-W227 HydrophobicContact CG2-CZ2 3.52Å; I225-W227 HydrophobicContact CG2-CZ3 3.42Å; I225-W227 VanDerWaalsContact CG2-CZ3 3.42Å; W227-A274 HydrophobicContact CD2-CB 4.19Å; W227-A274 HydrophobicContact CG-CB 3.93Å; W227-Q275 VanDerWaalsContact CD1-O 3.28Å; W227-I459 HydrophobicContact CH2-CD1 4.26Å; W227-I459 HydrophobicContact CZ2-CD1 4.33Å; W227-I459 HydrophobicContact CZ2-CG2 4.39Å; W227-I500 HydrophobicContact CB-CG2 4.05Å; W227-I500 HydrophobicContact CD2-CG2 3.41Å; W227-I500 VanDerWaalsContact CD2-CG2 3.41Å; W227-I500 HydrophobicContact CE3-CD1 4.15Å; W227-I500 HydrophobicContact CE3-CG2 3.95Å; W227-I500 HydrophobicContact CG-CG2 3.43Å; W227-I500 VanDerWaalsContact CG-CG2 3.43Å; W227-I500 HydrophobicContact CZ2-CG2 4.27Å; W227-I500 HydrophobicContact CZ3-CD1 4.15Å; W227-S502 PolarHBondContact NE1-OG 2.88Å
228	F	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.			trans	-155.7	129.5	176.7	178.1	-113.8	0	0	0	110	L178 A181 K207 M209 V230 K247 A274 Q331	L178-F228 HydrophobicContact CB-CD2 4.41Å; L178-F228 HydrophobicContact CB-CE2 3.86Å; L178-F228 HydrophobicContact CB-CZ 4.03Å; L178-F228 HydrophobicContact CD2-CD1 4.1Å; L178-F228 HydrophobicContact CD2-CE1 3.77Å; L178-F228 HydrophobicContact CD2-CE2 4.34Å; L178-F228 HydrophobicContact CD2-CZ 3.9Å; L178-F228 HydrophobicContact CG-CE1 4.4Å; L178-F228 HydrophobicContact CG-CE2 4.38Å; L178-F228 HydrophobicContact CG-CZ 4.04Å; A181-F228 HydrophobicContact CB-CE1 4.07Å; A181-F228 HydrophobicContact CB-CZ 4.22Å; K207-F228 WeakPolarHBondContact O-CE2 3.4Å; M209-F228 HydrophobicContact CB-CB 4.37Å; M209-F228 HydrophobicContact CB-CD2 4.2Å; M209-F228 HydrophobicContact CE-CB 3.87Å; M209-F228 HydrophobicContact CE-CD1 4.34Å; M209-F228 HydrophobicContact CE-CD2 4.49Å; M209-F228 HydrophobicContact CE-CG 3.99Å; M209-F228 HydrophobicContact CG-CB 4.28Å; F228-V230 HydrophobicContact CD1-CB 4.2Å; F228-V230 HydrophobicContact CD1-CG1 3.58Å; F228-V230 HydrophobicContact CE1-CB 3.9Å; F228-V230 HydrophobicContact CE1-CG1 3.64Å; F228-V230 PolarHBondContact O-N 2.94Å; F228-K247 PolarHBondContact O-NZ 3.48Å; F228-A274 PolarHBondContact N-O 2.83Å; F228-Q331 HydrophobicContact CD1-CG 4.2Å; F228-Q331 HydrophobicContact CE1-CG 4.49Å
229	A	98.8	Very high	98	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	12%	0.123	C	C	.	.			trans	-77.7	105.9	-177.3	0	0	0	0	0	111.2	D206 A276 E278 V281	D206-A229 HydrophobicContact CB-CB 4.45Å; A229-A276 HydrophobicContact CB-CB 4.14Å; A229-E278 HydrophobicContact CB-CB 4.33Å; A229-V281 HydrophobicContact CB-CG2 4.5Å; A229-V281 VanDerWaalsContact O-CG1 3.26Å; A229-V281 WeakPolarHBondContact O-CG1 3.42Å
230	V	98.8	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.			trans	-165.7	129.1	168.9	63.1	0	0	0	0	110.2	F228 K247 Q275 V281 P283	F228-V230 HydrophobicContact CD1-CB 4.2Å; F228-V230 HydrophobicContact CD1-CG1 3.58Å; F228-V230 HydrophobicContact CE1-CB 3.9Å; F228-V230 HydrophobicContact CE1-CG1 3.64Å; F228-V230 PolarHBondContact O-N 2.94Å; V230-K247 WeakPolarHBondContact O-CE 3.35Å; V230-Q275 PolarHBondContact O-NE2 3.04Å; V230-Q275 PolarHBondContact O-OE1 2.8Å; V230-Q275 VanDerWaalsContact O-OE1 3.1Å; V230-V281 HydrophobicContact CB-CG1 4.42Å; V230-P283 HydrophobicContact CG2-CB 3.71Å; V230-P283 HydrophobicContact CG2-CG 4.48Å
231	H	98.8	Very high	98.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.			trans	-54.9	143.2	174.6	-85.7	72.4	0	0	0	112.3	H122 R185 V233 N246 E278 V281 P283 E465	H122-H231 AromaticContact CD2-CD2 3.25Å; H122-H231 PolarHBondContact CD2-CD2 3.32Å; H122-H231 AromaticContact CD2-NE2 3.36Å; H122-H231 PolarHBondContact CD2-NE2 2.84Å; H122-H231 AromaticContact NE2-CD2 3.28Å; H122-H231 PolarHBondContact NE2-CD2 3.02Å; H122-H231 VanDerWaalsContact NE2-CD2 3.28Å; H122-H231 AromaticContact NE2-NE2 3.1Å; H122-H231 PolarHBondContact NE2-NE2 3.32Å; R185-H231 PolarHBondContact NH1-NE2 2.84Å; R185-H231 PolarHBondContact NH2-CE1 3.37Å; R185-H231 PolarHBondContact NH2-NE2 2.93Å; H231-V233 VanDerWaalsContact C-N 3.28Å; H231-V233 HydrophobicContact CB-CB 4.32Å; H231-V233 HydrophobicContact CB-CG1 4Å; H231-V233 HydrophobicContact CB-CG2 3.52Å; H231-V233 PolarHBondContact O-N 3.14Å; H231-N246 PolarHBondContact O-ND2 3.44Å; H231-N246 VanDerWaalsContact O-ND2 3.1Å; H231-E278 PolarHBondContact CE1-O 2.99Å; H231-E278 PolarHBondContact ND1-O 3.44Å; H231-V281 WeakPolarHBondContact CB-O 3.14Å; H231-V281 PolarHBondContact N-O 2.67Å; H231-V281 PolarHBondContact ND1-O 3.23Å; H231-V281 VanDerWaalsContact ND1-O 3.17Å; H231-P283 WeakPolarHBondContact O-CD 3.46Å; H231-P283 VanDerWaalsContact O-CG 3.29Å; H231-P283 WeakPolarHBondContact O-CG 3.13Å; H231-E465 IonicContact CD2-OE2 4Å; H231-E465 IonicContact CE1-OE2 3.3Å; H231-E465 PolarHBondContact CE1-OE2 3.41Å; H231-E465 IonicContact NE2-OE2 3.75Å; H231-E465 PolarHBondContact NE2-OE2 3.16Å
232	A	98.8	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-92.4	64.6	171.5	0	0	0	0	0	109.9	T121 H122 H124 D245	T121-A232 WeakPolarHBondContact O-CB 3.37Å; H122-A232 WeakPolarHBondContact O-CB 3.4Å; H124-A232 PolarHBondContact N-O 3.32Å; H124-A232 VanDerWaalsContact N-O 3.14Å; A232-D245 WeakPolarHBondContact CA-OD1 3.46Å; A232-D245 HydrophobicContact CB-CB 3.94Å; A232-D245 VanDerWaalsContact O-CG 3.32Å
233	V	98.8	Very high	98.3	Very high	1 Å²	1	14 Å²	14	1%	0.006	8%	0.077	C	C	.	.			trans	-127	26.3	-176.1	-62.6	0	0	0	0	112.1	Y50 H124 H231 M235 D245 P283 D388	Y50-V233 HydrophobicContact CE1-CB 4.45Å; Y50-V233 HydrophobicContact CE1-CG1 4.36Å; Y50-V233 WeakPolarHBondContact OH-CA 3.27Å; Y50-V233 VanDerWaalsContact OH-CB 3.32Å; Y50-V233 WeakPolarHBondContact OH-CB 3.41Å; Y50-V233 PolarHBondContact OH-O 3.22Å; H124-V233 HydrophobicContact CB-CG1 4.09Å; H231-V233 VanDerWaalsContact C-N 3.28Å; H231-V233 HydrophobicContact CB-CB 4.32Å; H231-V233 HydrophobicContact CB-CG1 4Å; H231-V233 HydrophobicContact CB-CG2 3.52Å; H231-V233 PolarHBondContact O-N 3.14Å; V233-M235 VanDerWaalsContact C-N 3.28Å; V233-D245 PolarHBondContact N-OD1 2.9Å; V233-P283 HydrophobicContact CG2-CG 3.59Å; V233-D388 HydrophobicContact CB-CB 4.37Å; V233-D388 HydrophobicContact CG2-CB 3.81Å
234	S	98.8	Very high	98.3	Very high	3 Å²	3	14 Å²	14	2%	0.021	8%	0.077	C	C	.	.	S	Bend	trans	-68.9	-32.9	173.5	-65.5	0	0	0	0	111.2	N236 D245 N246 P283 T324	S234-N236 PolarHBondContact O-N 3.22Å; S234-D245 WeakPolarHBondContact CB-OD1 3.4Å; S234-D245 PolarHBondContact N-OD1 3.04Å; S234-D245 PolarHBondContact N-OD2 3Å; S234-N246 PolarHBondContact OG-ND2 2.87Å; S234-P283 WeakPolarHBondContact OG-CB 3.47Å; S234-T324 WeakPolarHBondContact CB-OG1 3.34Å
235	M	98.6	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-80	100.7	164.9	-59.5	-64.8	-70.4	0	0	108.9	Y50 S125 V233 N239 D245 M320 F321 T324	Y50-M235 WeakPolarHBondContact CE2-O 3.38Å; Y50-M235 PolarHBondContact OH-O 2.86Å; S125-M235 WeakPolarHBondContact OG-CB 3.23Å; V233-M235 VanDerWaalsContact C-N 3.28Å; M235-N239 HydrophobicContact CB-CB 4.37Å; M235-N239 HydrophobicContact CE-CB 4.37Å; M235-N239 WeakPolarHBondContact CE-OD1 3.35Å; M235-D245 WeakPolarHBondContact CA-OD2 3.22Å; M235-D245 WeakPolarHBondContact CB-OD2 3.35Å; M235-D245 VanDerWaalsContact CG-OD2 3.26Å; M235-D245 WeakPolarHBondContact CG-OD2 3.26Å; M235-D245 PolarHBondContact N-OD2 2.82Å; M235-M320 HydrophobicContact CB-CE 3.88Å; M235-M320 HydrophobicContact CE-CE 3.51Å; M235-M320 HydrophobicContact CE-CG 4.5Å; M235-M320 HydrophobicContact SD-CE 3.92Å; M235-M320 HydrophobicContact SD-CG 4.32Å; M235-F321 HydrophobicContact CE-CD1 3.79Å; M235-F321 HydrophobicContact CE-CE1 3.45Å; M235-F321 VanDerWaalsContact CE-CE1 3.45Å; M235-F321 HydrophobicContact CE-CZ 3.97Å; M235-F321 HydrophobicContact SD-CD1 4.08Å; M235-F321 HydrophobicContact SD-CE1 4.36Å; M235-T324 HydrophobicContact CG-CG2 4.38Å; M235-T324 WeakPolarHBondContact CG-OG1 3.49Å; M235-T324 PolarHBondContact N-OG1 3.47Å; M235-T324 PolarHBondContact SD-OG1 2.9Å; M235-T324 VanDerWaalsContact SD-OG1 3.32Å
236	N	97.1	Very high	98.3	Very high	50 Å²	50	14 Å²	14	27%	0.267	8%	0.077	S	C	.	.			trans	-65.8	174.6	-177	73.7	24.8	0	0	0	113.7	Y50 S234 T238 N239	Y50-N236 VanDerWaalsContact CE2-C 3.48Å; Y50-N236 VanDerWaalsContact OH-CA 3.28Å; Y50-N236 WeakPolarHBondContact OH-CA 3.26Å; S234-N236 PolarHBondContact O-N 3.22Å; N236-T238 PolarHBondContact O-N 3.32Å; N236-T238 WeakPolarHBondContact OD1-CA 3.33Å; N236-T238 WeakPolarHBondContact OD1-CB 3.32Å; N236-T238 PolarHBondContact OD1-N 3.41Å; N236-T238 PolarHBondContact OD1-OG1 2.92Å; N236-N239 WeakPolarHBondContact O-CB 3.4Å; N236-N239 PolarHBondContact O-N 2.91Å
237	F	94.7	Very high	98.3	Very high	52 Å²	52	14 Å²	14	23%	0.228	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.9	-178.4	72	-92.9	0	0	0	115.8	Y50 N52 Q55 N239 P390	Y50-F237 HydrophobicContact CD1-CB 3.8Å; Y50-F237 HydrophobicContact CD2-CB 3.71Å; Y50-F237 HydrophobicContact CE1-CB 4.28Å; Y50-F237 HydrophobicContact CE2-CB 4.18Å; Y50-F237 HydrophobicContact CG-CB 3.49Å; Y50-F237 VanDerWaalsContact CG-CB 3.49Å; N52-F237 WeakPolarHBondContact ND2-CD2 3.48Å; Q55-F237 WeakPolarHBondContact CG-O 3.23Å; F237-N239 VanDerWaalsContact C-N 3.32Å; F237-P390 HydrophobicContact CE1-CG 4.14Å
238	T	96.1	Very high	98.3	Very high	89 Å²	89	13.8 Å²	13.8	55%	0.546	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.1	173.3	71.7	0	0	0	0	112.6	N236	N236-T238 PolarHBondContact O-N 3.32Å; N236-T238 WeakPolarHBondContact OD1-CA 3.33Å; N236-T238 WeakPolarHBondContact OD1-CB 3.32Å; N236-T238 PolarHBondContact OD1-N 3.41Å; N236-T238 PolarHBondContact OD1-OG1 2.92Å
239	N	97.9	Very high	98.3	Very high	6 Å²	6	15 Å²	15	3%	0.032	8%	0.083	C	C	.	.			trans	-60.5	140.5	171.3	-171.9	31.1	0	0	0	111.7	M47 Q55 S125 M235 N236 F237 L241 M320	M47-N239 VanDerWaalsContact SD-O 3.41Å; Q55-N239 VanDerWaalsContact CG-O 3.23Å; Q55-N239 WeakPolarHBondContact CG-O 3.34Å; Q55-N239 PolarHBondContact NE2-O 3.4Å; S125-N239 WeakPolarHBondContact CB-ND2 3.38Å; S125-N239 PolarHBondContact OG-ND2 3.42Å; M235-N239 HydrophobicContact CB-CB 4.37Å; M235-N239 HydrophobicContact CE-CB 4.37Å; M235-N239 WeakPolarHBondContact CE-OD1 3.35Å; N236-N239 WeakPolarHBondContact O-CB 3.4Å; N236-N239 PolarHBondContact O-N 2.91Å; F237-N239 VanDerWaalsContact C-N 3.32Å; N239-L241 PolarHBondContact ND2-O 2.86Å; N239-L241 PolarHBondContact OD1-N 3.13Å; N239-M320 HydrophobicContact CB-CE 3.39Å
240	T	98.1	Very high	98.3	Very high	42 Å²	42	14.9 Å²	14.9	26%	0.258	8%	0.082	S	C	.	.			trans	-125.3	8.2	169.3	59.8	0	0	0	0	112.4	N56 D57 N58	N56-T240 WeakPolarHBondContact O-CB 3.34Å; N56-T240 WeakPolarHBondContact O-CG2 3.44Å; D57-T240 CarbonylContact C-O 3.58Å; D57-T240 WeakPolarHBondContact CA-O 3.26Å; N58-T240 PolarHBondContact N-O 2.9Å; N58-T240 PolarHBondContact ND2-OG1 3.47Å; N58-T240 VanDerWaalsContact OD1-CB 3.32Å; N58-T240 WeakPolarHBondContact OD1-CB 3.48Å; N58-T240 PolarHBondContact OD1-O 2.55Å; N58-T240 PolarHBondContact OD1-OG1 2.95Å
241	L	98.7	Very high	98.3	Very high	46 Å²	46	15 Å²	15	24%	0.241	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.8	-179.8	-58	179.7	0	0	0	110.7	M47 G59 H61 N239 S243 F321	M47-L241 WeakPolarHBondContact CE-O 3.45Å; G59-L241 WeakPolarHBondContact O-CA 3.39Å; H61-L241 HydrophobicContact CB-CB 3.8Å; H61-L241 HydrophobicContact CB-CD1 4.16Å; N239-L241 PolarHBondContact ND2-O 2.86Å; N239-L241 PolarHBondContact OD1-N 3.13Å; L241-S243 PolarHBondContact O-N 2.75Å; L241-F321 HydrophobicContact CD1-CE1 4.01Å; L241-F321 HydrophobicContact CD1-CZ 4Å
242	V	98.7	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	128.2	173.4	174.1	0	0	0	0	110.1	T39 I42 D57 G59 L60 H61 L62 L64 S125	T39-V242 HydrophobicContact CG2-CG1 4.15Å; I42-V242 HydrophobicContact CB-CG2 4.21Å; I42-V242 HydrophobicContact CG2-CB 4.17Å; I42-V242 HydrophobicContact CG2-CG2 4.02Å; D57-V242 HydrophobicContact CB-CG2 3.94Å; G59-V242 PolarHBondContact O-N 3.34Å; L60-V242 HydrophobicContact CD1-CB 3.95Å; L60-V242 HydrophobicContact CD1-CG1 4.02Å; H61-V242 WeakPolarHBondContact CA-O 3.38Å; H61-V242 PolarHBondContact N-O 3.35Å; L62-V242 PolarHBondContact N-O 2.77Å; L64-V242 HydrophobicContact CD1-CG1 3.93Å; L64-V242 HydrophobicContact CD2-CG1 4.21Å; L64-V242 HydrophobicContact CG-CG1 3.95Å; S125-V242 CarbonylContact O-C 3.56Å; S125-V242 VanDerWaalsContact O-CA 3.26Å; S125-V242 WeakPolarHBondContact O-CA 3.48Å
243	S	98.8	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.			trans	-153.5	144	-173.7	-167.4	0	0	0	0	112.1	H61 T123 S125 L241 D245	H61-S243 PolarHBondContact ND1-OG 3.08Å; H61-S243 VanDerWaalsContact ND1-OG 3.14Å; T123-S243 PolarHBondContact OG1-O 3.29Å; S125-S243 CarbonylContact C-O 3.55Å; S125-S243 WeakPolarHBondContact CB-O 3.34Å; S125-S243 PolarHBondContact O-N 3.09Å; L241-S243 PolarHBondContact O-N 2.75Å; S243-D245 PolarHBondContact O-N 2.85Å; S243-D245 PolarHBondContact OG-N 3.48Å
244	S	98.8	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.			trans	-86.3	9.5	170.9	54.8	0	0	0	0	113.5	R63 G248	R63-S244 PolarHBondContact O-OG 3.38Å; S244-G248 WeakPolarHBondContact O-CA 3.5Å; S244-G248 PolarHBondContact O-N 2.92Å; S244-G248 WeakPolarHBondContact OG-CA 3.27Å
245	D	98.9	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	53.4	-153.1	172.8	-155.4	-84.6	0	0	0	112.9	A232 V233 S234 M235 S243 K247 L249	A232-D245 WeakPolarHBondContact CA-OD1 3.46Å; A232-D245 HydrophobicContact CB-CB 3.94Å; A232-D245 VanDerWaalsContact O-CG 3.32Å; V233-D245 PolarHBondContact N-OD1 2.9Å; S234-D245 WeakPolarHBondContact CB-OD1 3.4Å; S234-D245 PolarHBondContact N-OD1 3.04Å; S234-D245 PolarHBondContact N-OD2 3Å; M235-D245 WeakPolarHBondContact CA-OD2 3.22Å; M235-D245 WeakPolarHBondContact CB-OD2 3.35Å; M235-D245 VanDerWaalsContact CG-OD2 3.26Å; M235-D245 WeakPolarHBondContact CG-OD2 3.26Å; M235-D245 PolarHBondContact N-OD2 2.82Å; S243-D245 PolarHBondContact O-N 2.85Å; S243-D245 PolarHBondContact OG-N 3.48Å; D245-K247 PolarHBondContact O-N 2.92Å; D245-L249 WeakPolarHBondContact O-CB 3.42Å; D245-L249 PolarHBondContact O-N 3.44Å
246	N	98.8	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67	-36	-170.2	61.1	39.8	0	0	0	113	H231 S234 A250 P283 T324 I327 A328 Q331	H231-N246 PolarHBondContact O-ND2 3.44Å; H231-N246 VanDerWaalsContact O-ND2 3.1Å; S234-N246 PolarHBondContact OG-ND2 2.87Å; N246-A250 WeakPolarHBondContact O-CB 3.45Å; N246-A250 PolarHBondContact O-N 3.22Å; N246-P283 WeakPolarHBondContact ND2-CB 3.22Å; N246-T324 HydrophobicContact CB-CG2 4.36Å; N246-I327 HydrophobicContact CB-CB 4.06Å; N246-I327 HydrophobicContact CB-CG2 3.81Å; N246-A328 WeakPolarHBondContact O-CA 3.25Å; N246-A328 WeakPolarHBondContact O-CB 3.19Å; N246-Q331 PolarHBondContact OD1-NE2 3.13Å
247	K	98.9	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-74.2	-45.8	178.3	-79	-177.6	177.9	-64.5	0	112.1	T121 F228 V230 D245 A250 A251 F273 A274 Q275	T121-K247 HydrophobicContact CG2-CB 4.4Å; F228-K247 PolarHBondContact O-NZ 3.48Å; V230-K247 WeakPolarHBondContact O-CE 3.35Å; D245-K247 PolarHBondContact O-N 2.92Å; K247-A250 WeakPolarHBondContact O-CB 3.36Å; K247-A250 PolarHBondContact O-N 3.24Å; K247-A251 PolarHBondContact O-N 3.33Å; K247-F273 HydrophobicContact CB-CB 3.96Å; K247-F273 HydrophobicContact CG-CB 4.16Å; K247-A274 PolarHBondContact NZ-O 3.37Å; K247-Q275 HydrophobicContact CD-CG 4.31Å
248	G	98.7	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.9	-37.2	177.3	0	0	0	0	0	112.8	S244 A251 I252	S244-G248 WeakPolarHBondContact O-CA 3.5Å; S244-G248 PolarHBondContact O-N 2.92Å; S244-G248 WeakPolarHBondContact OG-CA 3.27Å; G248-A251 WeakPolarHBondContact O-CB 3.2Å; G248-A251 PolarHBondContact O-N 2.91Å; G248-I252 WeakPolarHBondContact O-CB 3.39Å; G248-I252 VanDerWaalsContact O-CG1 3.29Å; G248-I252 WeakPolarHBondContact O-CG1 3.31Å; G248-I252 PolarHBondContact O-N 2.72Å
249	L	98.8	Very high	98.5	Very high	24 Å²	24	18.4 Å²	18.4	13%	0.126	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-39.4	171.7	-177.6	56.4	0	0	0	111.8	L62 D245 A251 I252 L253 T324 K325 A328	L62-L249 HydrophobicContact CD1-CB 3.82Å; L62-L249 HydrophobicContact CD1-CD1 4.12Å; L62-L249 HydrophobicContact CD1-CG 4.42Å; L62-L249 HydrophobicContact CD2-CD1 4.45Å; D245-L249 WeakPolarHBondContact O-CB 3.42Å; D245-L249 PolarHBondContact O-N 3.44Å; L249-A251 VanDerWaalsContact C-N 3.33Å; L249-A251 PolarHBondContact O-N 3.26Å; L249-I252 PolarHBondContact O-N 3.04Å; L249-L253 HydrophobicContact CD1-CG 4.33Å; L249-L253 HydrophobicContact CG-CD1 4.34Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 2.89Å; L249-T324 HydrophobicContact CD2-CG2 4.28Å; L249-K325 HydrophobicContact CD2-CB 4.28Å; L249-A328 HydrophobicContact CB-CB 3.72Å; L249-A328 HydrophobicContact CD2-CB 3.77Å; L249-A328 HydrophobicContact CG-CB 3.7Å
250	A	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-41	174.7	0	0	0	0	0	111.9	N246 K247 L253 F254 F273 A328 Q331 F332	N246-A250 WeakPolarHBondContact O-CB 3.45Å; N246-A250 PolarHBondContact O-N 3.22Å; K247-A250 WeakPolarHBondContact O-CB 3.36Å; K247-A250 PolarHBondContact O-N 3.24Å; A250-L253 PolarHBondContact O-N 3.27Å; A250-F254 PolarHBondContact O-N 3.05Å; A250-F254 VanDerWaalsContact O-N 3.1Å; A250-F273 HydrophobicContact CB-CD1 3.65Å; A250-F273 HydrophobicContact CB-CD2 4.07Å; A250-F273 HydrophobicContact CB-CE1 3.54Å; A250-F273 HydrophobicContact CB-CE2 3.92Å; A250-F273 HydrophobicContact CB-CG 3.96Å; A250-F273 HydrophobicContact CB-CZ 3.67Å; A250-F273 WeakPolarHBondContact O-CE2 2.97Å; A250-A328 HydrophobicContact CB-CB 4.29Å; A250-A328 WeakPolarHBondContact CB-O 3.35Å; A250-Q331 HydrophobicContact CB-CB 4.05Å; A250-F332 HydrophobicContact CB-CB 4.35Å
251	A	98.9	Very high	98.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-50.2	172.9	0	0	0	0	0	111.7	K247 G248 L249 L253 F254 E255 A271 F273	K247-A251 PolarHBondContact O-N 3.33Å; G248-A251 WeakPolarHBondContact O-CB 3.2Å; G248-A251 PolarHBondContact O-N 2.91Å; L249-A251 VanDerWaalsContact C-N 3.33Å; L249-A251 PolarHBondContact O-N 3.26Å; A251-L253 PolarHBondContact O-N 3.02Å; A251-F254 PolarHBondContact O-N 2.98Å; A251-F254 VanDerWaalsContact O-N 3.16Å; A251-E255 WeakPolarHBondContact O-CB 3.49Å; A251-E255 WeakPolarHBondContact O-CG 3.45Å; A251-E255 PolarHBondContact O-N 3.16Å; A251-A271 VanDerWaalsContact CB-O 3.28Å; A251-A271 WeakPolarHBondContact CB-O 3.48Å; A251-F273 HydrophobicContact CB-CD2 3.77Å; A251-F273 HydrophobicContact CB-CE2 4.32Å; A251-F273 VanDerWaalsContact N-CD2 3.35Å
252	I	98.5	Very high	97.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-46.3	177.9	-74.5	165.3	0	0	0	111.3	L62 G248 L249 F254 E255 Q256 L264	L62-I252 HydrophobicContact CB-CD1 4.34Å; L62-I252 HydrophobicContact CD1-CD1 4.39Å; L62-I252 HydrophobicContact CD2-CD1 4.05Å; L62-I252 HydrophobicContact CG-CD1 4.5Å; G248-I252 WeakPolarHBondContact O-CB 3.39Å; G248-I252 VanDerWaalsContact O-CG1 3.29Å; G248-I252 WeakPolarHBondContact O-CG1 3.31Å; G248-I252 PolarHBondContact O-N 2.72Å; L249-I252 PolarHBondContact O-N 3.04Å; I252-F254 VanDerWaalsContact C-N 3.3Å; I252-F254 PolarHBondContact O-N 2.75Å; I252-E255 PolarHBondContact O-N 2.85Å; I252-Q256 HydrophobicContact CG2-CG 4.27Å; I252-Q256 WeakPolarHBondContact O-CB 3.19Å; I252-Q256 VanDerWaalsContact O-CG 3.27Å; I252-Q256 WeakPolarHBondContact O-CG 3.35Å; I252-Q256 PolarHBondContact O-N 3.35Å; I252-L264 HydrophobicContact CD1-CD1 4.4Å; I252-L264 HydrophobicContact CG1-CD2 4.46Å; I252-L264 HydrophobicContact CG2-CD1 4.5Å; I252-L264 HydrophobicContact CG2-CD2 3.54Å
253	L	98.3	Very high	97.7	Very high	46 Å²	46	39.7 Å²	39.7	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-40.4	178.2	-71.3	171.2	0	0	0	111.8	L249 A250 A251 K257 Y329 F332	L249-L253 HydrophobicContact CD1-CG 4.33Å; L249-L253 HydrophobicContact CG-CD1 4.34Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 2.89Å; A250-L253 PolarHBondContact O-N 3.27Å; A251-L253 PolarHBondContact O-N 3.02Å; L253-K257 WeakPolarHBondContact O-CB 3.48Å; L253-K257 PolarHBondContact O-N 2.82Å; L253-K257 VanDerWaalsContact O-N 3.15Å; L253-Y329 HydrophobicContact CD1-CD2 4.42Å; L253-F332 HydrophobicContact CB-CB 4.45Å; L253-F332 HydrophobicContact CB-CD2 3.95Å; L253-F332 HydrophobicContact CB-CE2 4.43Å; L253-F332 HydrophobicContact CB-CG 4.05Å; L253-F332 HydrophobicContact CD1-CB 4.4Å
254	F	98.6	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-46.8	177.5	-153.1	-68.6	0	0	0	111.9	M224 A250 A251 I252 K257 M258 F269 A271 F273 F332 A335 W336 F339	M224-F254 HydrophobicContact CE-CB 4.26Å; M224-F254 HydrophobicContact CE-CD1 4.01Å; M224-F254 HydrophobicContact CE-CD2 3.21Å; M224-F254 HydrophobicContact CE-CE1 4.12Å; M224-F254 HydrophobicContact CE-CE2 3.33Å; M224-F254 HydrophobicContact CE-CG 3.56Å; M224-F254 HydrophobicContact CE-CZ 3.81Å; M224-F254 HydrophobicContact CG-CD1 4.46Å; M224-F254 HydrophobicContact CG-CE1 4.03Å; M224-F254 HydrophobicContact CG-CZ 4.05Å; A250-F254 PolarHBondContact O-N 3.05Å; A250-F254 VanDerWaalsContact O-N 3.1Å; A251-F254 PolarHBondContact O-N 2.98Å; A251-F254 VanDerWaalsContact O-N 3.16Å; I252-F254 VanDerWaalsContact C-N 3.3Å; I252-F254 PolarHBondContact O-N 2.75Å; F254-K257 PolarHBondContact O-N 3.14Å; F254-M258 HydrophobicContact CD1-CG 3.72Å; F254-M258 HydrophobicContact CE1-CG 3.64Å; F254-M258 HydrophobicContact CE1-SD 4.29Å; F254-M258 WeakPolarHBondContact O-CG 3.45Å; F254-M258 PolarHBondContact O-N 3.38Å; F254-F269 HydrophobicContact CD1-CD1 4.31Å; F254-F269 AromaticContact CD1-CE1 3.52Å; F254-F269 HydrophobicContact CD1-CE1 3.52Å; F254-F269 HydrophobicContact CD1-CZ 4.16Å; F254-F269 AromaticContact CE1-CE1 3.48Å; F254-F269 HydrophobicContact CE1-CE1 3.48Å; F254-F269 VanDerWaalsContact CE1-CE1 3.48Å; F254-F269 AromaticContact CE1-CZ 3.62Å; F254-F269 HydrophobicContact CE1-CZ 3.62Å; F254-A271 HydrophobicContact CB-CB 3.79Å; F254-A271 HydrophobicContact CD1-CB 3.89Å; F254-A271 HydrophobicContact CG-CB 4.01Å; F254-F273 HydrophobicContact CB-CE2 4.34Å; F254-F273 HydrophobicContact CD2-CZ 4.47Å; F254-F332 HydrophobicContact CB-CD2 3.95Å; F254-F332 HydrophobicContact CB-CE2 4.18Å; F254-F332 AromaticContact CD2-CD2 3.85Å; F254-F332 HydrophobicContact CD2-CD2 3.85Å; F254-F332 HydrophobicContact CD2-CE2 4.01Å; F254-F332 HydrophobicContact CG-CD2 4.26Å; F254-F332 HydrophobicContact CG-CE2 4.27Å; F254-A335 HydrophobicContact CD2-CB 4.39Å; F254-A335 HydrophobicContact CE2-CB 4.19Å; F254-W336 HydrophobicContact CD1-CE3 4.49Å; F254-W336 HydrophobicContact CD1-CZ3 4.39Å; F254-W336 HydrophobicContact CD2-CE3 4.12Å; F254-W336 HydrophobicContact CE1-CE3 4.06Å; F254-W336 AromaticContact CE1-CZ3 3.94Å; F254-W336 HydrophobicContact CE1-CZ3 3.94Å; F254-W336 HydrophobicContact CE2-CB 4.36Å; F254-W336 AromaticContact CE2-CE3 3.67Å; F254-W336 HydrophobicContact CE2-CE3 3.67Å; F254-W336 HydrophobicContact CE2-CZ3 4.38Å; F254-W336 AromaticContact CZ-CE3 3.64Å; F254-W336 HydrophobicContact CZ-CE3 3.64Å; F254-W336 AromaticContact CZ-CZ3 3.94Å; F254-W336 HydrophobicContact CZ-CZ3 3.94Å; F254-F339 HydrophobicContact CE1-CD2 4.37Å; F254-F339 HydrophobicContact CE1-CE2 4.41Å; F254-F339 HydrophobicContact CE1-CG 4.45Å; F254-F339 HydrophobicContact CE2-CB 4.34Å; F254-F339 HydrophobicContact CZ-CB 3.85Å; F254-F339 HydrophobicContact CZ-CD1 4.01Å; F254-F339 AromaticContact CZ-CD2 3.86Å; F254-F339 HydrophobicContact CZ-CD2 3.86Å; F254-F339 HydrophobicContact CZ-CE1 4.46Å; F254-F339 HydrophobicContact CZ-CE2 4.33Å; F254-F339 AromaticContact CZ-CG 3.66Å; F254-F339 HydrophobicContact CZ-CG 3.66Å
255	E	98.7	Very high	97.3	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-45.4	178.1	-72.5	169.9	161.6	0	0	111.4	I35 R67 A251 I252 K257 M258 N259 A271	I35-E255 WeakPolarHBondContact CD1-OE1 3.42Å; R67-E255 IonicContact CZ-OE1 2.81Å; R67-E255 IonicContact CZ-OE2 3.28Å; R67-E255 IonicContact NE-OE1 3.29Å; R67-E255 PolarHBondContact NE-OE1 3.15Å; R67-E255 IonicContact NE-OE2 3.56Å; R67-E255 IonicContact NH2-OE1 3.85Å; R67-E255 IonicContact NH2-OE2 2.98Å; R67-E255 PolarHBondContact NH2-OE2 3.17Å; A251-E255 WeakPolarHBondContact O-CB 3.49Å; A251-E255 WeakPolarHBondContact O-CG 3.45Å; A251-E255 PolarHBondContact O-N 3.16Å; I252-E255 PolarHBondContact O-N 2.85Å; E255-K257 VanDerWaalsContact C-N 3.3Å; E255-K257 PolarHBondContact O-N 3.44Å; E255-M258 PolarHBondContact O-N 3.2Å; E255-N259 WeakPolarHBondContact O-CA 3.49Å; E255-N259 WeakPolarHBondContact O-CB 3.34Å; E255-N259 PolarHBondContact O-N 3.16Å; E255-N259 PolarHBondContact O-ND2 3.47Å; E255-A271 HydrophobicContact CG-CB 3.73Å; E255-A271 PolarHBondContact OE1-N 2.85Å
256	Q	97.3	Very high	97.1	Very high	64 Å²	64	50.3 Å²	50.3	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-42.8	176.1	-76.5	-179.1	-42	0	0	111.7	I252 H260 N261 L264	I252-Q256 HydrophobicContact CG2-CG 4.27Å; I252-Q256 WeakPolarHBondContact O-CB 3.19Å; I252-Q256 VanDerWaalsContact O-CG 3.27Å; I252-Q256 WeakPolarHBondContact O-CG 3.35Å; I252-Q256 PolarHBondContact O-N 3.35Å; Q256-H260 PolarHBondContact O-N 2.89Å; Q256-N261 PolarHBondContact O-N 2.77Å; Q256-L264 HydrophobicContact CG-CD2 3.97Å
257	K	97.6	Very high	96.9	Very high	96 Å²	96	51.6 Å²	51.6	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-44.2	177.6	-171.5	166.3	-174.6	178.1	0	112.4	L253 F254 E255 F332 W336	L253-K257 WeakPolarHBondContact O-CB 3.48Å; L253-K257 PolarHBondContact O-N 2.82Å; L253-K257 VanDerWaalsContact O-N 3.15Å; F254-K257 PolarHBondContact O-N 3.14Å; E255-K257 VanDerWaalsContact C-N 3.3Å; E255-K257 PolarHBondContact O-N 3.44Å; K257-F332 HydrophobicContact CD-CE2 4.25Å; K257-F332 HydrophobicContact CD-CZ 3.73Å; K257-W336 HydrophobicContact CB-CZ3 4.36Å; K257-W336 HydrophobicContact CD-CD2 4.06Å; K257-W336 HydrophobicContact CD-CE3 3.87Å; K257-W336 HydrophobicContact CD-CH2 3.59Å; K257-W336 HydrophobicContact CD-CZ2 3.79Å; K257-W336 HydrophobicContact CD-CZ3 3.62Å; K257-W336 VanDerWaalsContact CE-CE2 3.46Å; K257-W336 HydrophobicContact CG-CH2 3.77Å; K257-W336 HydrophobicContact CG-CZ2 4.35Å; K257-W336 HydrophobicContact CG-CZ3 3.91Å
258	M	98.1	Very high	96.8	Very high	40 Å²	40	56.5 Å²	56.5	20%	0.197	29%	0.292	C	S	.	.	H	α-helix	trans	-76	-33.3	-178.6	-68.9	-60.9	-67.8	0	0	113.4	P221 F254 E255 F269 W336 F339	P221-M258 HydrophobicContact CB-CE 3.93Å; P221-M258 HydrophobicContact CG-CE 4.23Å; F254-M258 HydrophobicContact CD1-CG 3.72Å; F254-M258 HydrophobicContact CE1-CG 3.64Å; F254-M258 HydrophobicContact CE1-SD 4.29Å; F254-M258 WeakPolarHBondContact O-CG 3.45Å; F254-M258 PolarHBondContact O-N 3.38Å; E255-M258 PolarHBondContact O-N 3.2Å; M258-F269 HydrophobicContact CB-CB 3.73Å; M258-F269 HydrophobicContact CB-CD1 3.58Å; M258-F269 HydrophobicContact CB-CD2 4.17Å; M258-F269 HydrophobicContact CB-CE1 4.23Å; M258-F269 HydrophobicContact CB-CG 3.54Å; M258-F269 HydrophobicContact CE-CD2 3.59Å; M258-F269 HydrophobicContact CE-CE2 3.61Å; M258-F269 HydrophobicContact CE-CG 4.18Å; M258-F269 HydrophobicContact CE-CZ 4.21Å; M258-F269 HydrophobicContact CG-CD1 3.66Å; M258-F269 HydrophobicContact CG-CD2 4.2Å; M258-F269 HydrophobicContact CG-CE1 3.77Å; M258-F269 HydrophobicContact CG-CE2 4.3Å; M258-F269 HydrophobicContact CG-CG 3.89Å; M258-F269 HydrophobicContact CG-CZ 4.09Å; M258-W336 HydrophobicContact CG-CZ3 4.09Å; M258-W336 HydrophobicContact SD-CH2 3.66Å; M258-W336 HydrophobicContact SD-CZ3 3.63Å; M258-F339 HydrophobicContact CE-CE1 4.12Å; M258-F339 HydrophobicContact CE-CZ 3.85Å; M258-F339 HydrophobicContact SD-CE1 4.24Å; M258-F339 HydrophobicContact SD-CZ 4.4Å
259	N	98	Very high	96.8	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.032	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	17.8	-178	-63.5	-38.5	0	0	0	112.9	E255 N261 Q262 K266 P268 F269	E255-N259 WeakPolarHBondContact O-CA 3.49Å; E255-N259 WeakPolarHBondContact O-CB 3.34Å; E255-N259 PolarHBondContact O-N 3.16Å; E255-N259 PolarHBondContact O-ND2 3.47Å; N259-N261 PolarHBondContact O-N 2.99Å; N259-Q262 HydrophobicContact CB-CB 4.32Å; N259-Q262 WeakPolarHBondContact O-CB 3.35Å; N259-Q262 WeakPolarHBondContact O-CG 3.45Å; N259-Q262 PolarHBondContact O-N 3.45Å; N259-Q262 PolarHBondContact O-NE2 2.94Å; N259-K266 PolarHBondContact ND2-O 2.58Å; N259-P268 VanDerWaalsContact OD1-CD 3.26Å; N259-P268 WeakPolarHBondContact OD1-CD 3.31Å; N259-F269 PolarHBondContact ND2-O 2.78Å; N259-F269 WeakPolarHBondContact OD1-CB 3.3Å; N259-F269 PolarHBondContact OD1-N 2.91Å
260	H	96.1	Very high	96.8	Very high	166 Å²	166	55.8 Å²	55.8	77%	0.769	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	45.9	177.1	-55.7	-69.5	0	0	0	114.1	Q256 Q262	Q256-H260 PolarHBondContact O-N 2.89Å; H260-Q262 PolarHBondContact O-N 3.33Å
261	N	92.5	Very high	96.8	Very high	128 Å²	128	55.8 Å²	55.8	68%	0.684	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	29.4	179.9	-57.4	-45.5	0	0	0	114.5	Q256 N259	Q256-N261 PolarHBondContact O-N 2.77Å; N259-N261 PolarHBondContact O-N 2.99Å
262	Q	94.1	Very high	96.8	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.421	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-56.9	160.8	165.3	-78.6	177.6	59.7	0	0	111.5	N259 H260	N259-Q262 HydrophobicContact CB-CB 4.32Å; N259-Q262 WeakPolarHBondContact O-CB 3.35Å; N259-Q262 WeakPolarHBondContact O-CG 3.45Å; N259-Q262 PolarHBondContact O-N 3.45Å; N259-Q262 PolarHBondContact O-NE2 2.94Å; H260-Q262 PolarHBondContact O-N 3.33Å
263	M	94.4	Very high	96.8	Very high	157 Å²	157	55.6 Å²	55.6	77%	0.773	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-53.2	145.5	176	-68.4	-176.8	70.3	0	0	111.1	G265 K266	M263-G265 PolarHBondContact O-N 2.87Å; M263-K266 HydrophobicContact CB-CB 4.47Å; M263-K266 HydrophobicContact CB-CG 4.02Å; M263-K266 WeakPolarHBondContact O-CA 3.41Å; M263-K266 VanDerWaalsContact O-CB 3.23Å; M263-K266 WeakPolarHBondContact O-CB 3.49Å; M263-K266 PolarHBondContact O-N 2.87Å
264	L	95.4	Very high	96.8	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.366	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	138.8	-180	-57.6	-175.6	0	0	0	111.4	F65 I252 Q256 K266	F65-L264 HydrophobicContact CE2-CB 4.4Å; F65-L264 HydrophobicContact CZ-CB 3.98Å; I252-L264 HydrophobicContact CD1-CD1 4.4Å; I252-L264 HydrophobicContact CG1-CD2 4.46Å; I252-L264 HydrophobicContact CG2-CD1 4.5Å; I252-L264 HydrophobicContact CG2-CD2 3.54Å; Q256-L264 HydrophobicContact CG-CD2 3.97Å; L264-K266 PolarHBondContact O-N 2.96Å
265	G	94.6	Very high	96.8	Very high	18 Å²	18	53.4 Å²	53.4	19%	0.186	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	9.2	-174.5	0	0	0	0	0	114.6	M263	M263-G265 PolarHBondContact O-N 2.87Å
266	K	94.7	Very high	96.8	Very high	136 Å²	136	53.3 Å²	53.3	59%	0.591	28%	0.276	S	S	*	.			trans	-116.8	159.7	172.6	-52.4	-62.3	176.8	-170.6	0	110.8	N259 M263 L264	N259-K266 PolarHBondContact ND2-O 2.58Å; M263-K266 HydrophobicContact CB-CB 4.47Å; M263-K266 HydrophobicContact CB-CG 4.02Å; M263-K266 WeakPolarHBondContact O-CA 3.41Å; M263-K266 VanDerWaalsContact O-CB 3.23Å; M263-K266 WeakPolarHBondContact O-CB 3.49Å; M263-K266 PolarHBondContact O-N 2.87Å; L264-K266 PolarHBondContact O-N 2.96Å
267	G	94.2	Very high	96.9	Very high	27 Å²	27	50.3 Å²	50.3	28%	0.278	26%	0.262	S	S	.	.	S	Bend	trans	103.2	162.6	-176.9	0	0	0	0	0	112.8
268	P	96.3	Very high	97	Very high	102 Å²	102	45.8 Å²	45.8	66%	0.662	24%	0.243	S	C	*	.	S	Bend	trans	-80	-22.4	-174.3	31.3	-37.1	0	0	0	114.2	N259	N259-P268 VanDerWaalsContact OD1-CD 3.26Å; N259-P268 WeakPolarHBondContact OD1-CD 3.31Å
269	F	98.6	Very high	97	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.026	23%	0.233	C	C	.	.			trans	-89.7	134.1	-177.5	-168.6	-86.8	0	0	0	111.4	P221 I222 G223 M224 F254 M258 N259 A271 F339	P221-F269 HydrophobicContact CB-CD2 4.29Å; P221-F269 HydrophobicContact CB-CE2 3.82Å; I222-F269 VanDerWaalsContact C-CD2 3.43Å; I222-F269 WeakPolarHBondContact O-CA 3.47Å; G223-F269 VanDerWaalsContact C-CZ 3.46Å; G223-F269 VanDerWaalsContact N-CE2 3.31Å; M224-F269 HydrophobicContact CB-CZ 4.3Å; M224-F269 HydrophobicContact CG-CE1 4.15Å; M224-F269 HydrophobicContact CG-CZ 3.95Å; F254-F269 HydrophobicContact CD1-CD1 4.31Å; F254-F269 AromaticContact CD1-CE1 3.52Å; F254-F269 HydrophobicContact CD1-CE1 3.52Å; F254-F269 HydrophobicContact CD1-CZ 4.16Å; F254-F269 AromaticContact CE1-CE1 3.48Å; F254-F269 HydrophobicContact CE1-CE1 3.48Å; F254-F269 VanDerWaalsContact CE1-CE1 3.48Å; F254-F269 AromaticContact CE1-CZ 3.62Å; F254-F269 HydrophobicContact CE1-CZ 3.62Å; M258-F269 HydrophobicContact CB-CB 3.73Å; M258-F269 HydrophobicContact CB-CD1 3.58Å; M258-F269 HydrophobicContact CB-CD2 4.17Å; M258-F269 HydrophobicContact CB-CE1 4.23Å; M258-F269 HydrophobicContact CB-CG 3.54Å; M258-F269 HydrophobicContact CE-CD2 3.59Å; M258-F269 HydrophobicContact CE-CE2 3.61Å; M258-F269 HydrophobicContact CE-CG 4.18Å; M258-F269 HydrophobicContact CE-CZ 4.21Å; M258-F269 HydrophobicContact CG-CD1 3.66Å; M258-F269 HydrophobicContact CG-CD2 4.2Å; M258-F269 HydrophobicContact CG-CE1 3.77Å; M258-F269 HydrophobicContact CG-CE2 4.3Å; M258-F269 HydrophobicContact CG-CG 3.89Å; M258-F269 HydrophobicContact CG-CZ 4.09Å; N259-F269 PolarHBondContact ND2-O 2.78Å; N259-F269 WeakPolarHBondContact OD1-CB 3.3Å; N259-F269 PolarHBondContact OD1-N 2.91Å; F269-A271 HydrophobicContact CD1-CB 4.36Å; F269-A271 HydrophobicContact CE1-CB 3.87Å; F269-F339 AromaticContact CE2-CE2 3.89Å; F269-F339 HydrophobicContact CE2-CE2 3.89Å; F269-F339 AromaticContact CE2-CZ 3.84Å; F269-F339 HydrophobicContact CE2-CZ 3.84Å; F269-F339 AromaticContact CZ-CE2 3.67Å; F269-F339 HydrophobicContact CZ-CE2 3.67Å; F269-F339 AromaticContact CZ-CZ 3.92Å; F269-F339 HydrophobicContact CZ-CZ 3.92Å
270	V	98.8	Very high	97	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.9	177	-177.2	0	0	0	0	110.2	V33 I35 R67 F69 I222 G223 M224	V33-V270 HydrophobicContact CB-CB 4.16Å; V33-V270 HydrophobicContact CB-CG2 4Å; V33-V270 HydrophobicContact CG2-CG2 4.17Å; I35-V270 HydrophobicContact CB-CG1 4.21Å; I35-V270 HydrophobicContact CB-CG2 4.01Å; I35-V270 HydrophobicContact CG2-CG2 4.03Å; R67-V270 HydrophobicContact CB-CG1 3.74Å; R67-V270 HydrophobicContact CG-CG1 3.8Å; F69-V270 HydrophobicContact CE1-CG1 4.49Å; F69-V270 HydrophobicContact CE2-CG1 4.44Å; F69-V270 HydrophobicContact CZ-CB 4.44Å; F69-V270 HydrophobicContact CZ-CG1 3.9Å; I222-V270 PolarHBondContact O-N 2.79Å; G223-V270 CarbonylContact C-O 3.56Å; G223-V270 WeakPolarHBondContact CA-O 3.39Å; M224-V270 PolarHBondContact N-O 2.84Å
271	A	98.9	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.3	-178.5	0	0	0	0	0	111.2	R67 M224 A251 F254 E255 F269	R67-A271 WeakPolarHBondContact CD-O 3.29Å; R67-A271 PolarHBondContact NE-O 2.79Å; M224-A271 HydrophobicContact CE-CB 3.97Å; M224-A271 HydrophobicContact CG-CB 4.25Å; M224-A271 WeakPolarHBondContact O-CA 3.27Å; M224-A271 HydrophobicContact SD-CB 4.12Å; A251-A271 VanDerWaalsContact CB-O 3.28Å; A251-A271 WeakPolarHBondContact CB-O 3.48Å; F254-A271 HydrophobicContact CB-CB 3.79Å; F254-A271 HydrophobicContact CD1-CB 3.89Å; F254-A271 HydrophobicContact CG-CB 4.01Å; E255-A271 HydrophobicContact CG-CB 3.73Å; E255-A271 PolarHBondContact OE1-N 2.85Å; F269-A271 HydrophobicContact CD1-CB 4.36Å; F269-A271 HydrophobicContact CE1-CB 3.87Å
272	A	98.9	Very high	97.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.1	-179	0	0	0	0	0	113	R67 F69 I84 M224 I225 N226	R67-A272 HydrophobicContact CB-CB 4.06Å; F69-A272 HydrophobicContact CE2-CB 3.59Å; F69-A272 HydrophobicContact CZ-CB 3.79Å; I84-A272 HydrophobicContact CB-CB 3.84Å; I84-A272 HydrophobicContact CG1-CB 3.78Å; I84-A272 HydrophobicContact CG2-CB 4.31Å; M224-A272 PolarHBondContact O-N 3.48Å; I225-A272 CarbonylContact C-O 3.58Å; I225-A272 WeakPolarHBondContact CA-O 3.35Å; I225-A272 HydrophobicContact CG1-CB 4.32Å; I225-A272 HydrophobicContact CG2-CB 4.26Å; N226-A272 PolarHBondContact N-O 3.1Å; N226-A272 PolarHBondContact OD1-O 3.07Å
273	F	98.9	Very high	97.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	95.2	174.9	-75.4	-109.5	0	0	0	109.3	T121 M224 N226 K247 A250 A251 F254 Q331 A335	T121-F273 WeakPolarHBondContact CG2-O 3.39Å; M224-F273 HydrophobicContact CE-CD2 4.41Å; M224-F273 HydrophobicContact CE-CE2 3.57Å; M224-F273 HydrophobicContact CE-CZ 3.8Å; N226-F273 VanDerWaalsContact CG-CD1 3.5Å; N226-F273 WeakPolarHBondContact ND2-CD1 3.47Å; N226-F273 WeakPolarHBondContact ND2-CE1 3.35Å; N226-F273 CarbonylContact O-C 3.51Å; N226-F273 VanDerWaalsContact OD1-CA 3.28Å; N226-F273 WeakPolarHBondContact OD1-CA 3.49Å; N226-F273 WeakPolarHBondContact OD1-CD1 3.23Å; N226-F273 VanDerWaalsContact OD1-CD2 3.25Å; N226-F273 WeakPolarHBondContact OD1-CD2 3.47Å; N226-F273 VanDerWaalsContact OD1-CE1 3.32Å; N226-F273 WeakPolarHBondContact OD1-CE1 3.48Å; N226-F273 WeakPolarHBondContact OD1-CG 3.21Å; K247-F273 HydrophobicContact CB-CB 3.96Å; K247-F273 HydrophobicContact CG-CB 4.16Å; A250-F273 HydrophobicContact CB-CD1 3.65Å; A250-F273 HydrophobicContact CB-CD2 4.07Å; A250-F273 HydrophobicContact CB-CE1 3.54Å; A250-F273 HydrophobicContact CB-CE2 3.92Å; A250-F273 HydrophobicContact CB-CG 3.96Å; A250-F273 HydrophobicContact CB-CZ 3.67Å; A250-F273 WeakPolarHBondContact O-CE2 2.97Å; A251-F273 HydrophobicContact CB-CD2 3.77Å; A251-F273 HydrophobicContact CB-CE2 4.32Å; A251-F273 VanDerWaalsContact N-CD2 3.35Å; F254-F273 HydrophobicContact CB-CE2 4.34Å; F254-F273 HydrophobicContact CD2-CZ 4.47Å; F273-Q331 HydrophobicContact CD1-CB 4.07Å; F273-Q331 HydrophobicContact CE1-CB 3.83Å; F273-A335 HydrophobicContact CE1-CB 3.92Å; F273-A335 HydrophobicContact CZ-CB 3.75Å
274	A	98.9	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	159.7	-178.7	0	0	0	0	0	112.8	I84 I225 N226 W227 F228 K247	I84-A274 HydrophobicContact CD1-CB 3.67Å; I84-A274 HydrophobicContact CG1-CB 4.13Å; I84-A274 HydrophobicContact CG2-CB 4.43Å; I225-A274 HydrophobicContact CG2-CB 4.22Å; N226-A274 PolarHBondContact O-N 3.23Å; W227-A274 HydrophobicContact CD2-CB 4.19Å; W227-A274 HydrophobicContact CG-CB 3.93Å; F228-A274 PolarHBondContact N-O 2.83Å; K247-A274 PolarHBondContact NZ-O 3.37Å
275	Q	98.8	Very high	98	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.102	C	C	.	.			trans	-84.2	162.5	169.6	-77.6	-63.6	12.6	0	0	111.9	A120 T121 H122 W227 V230 K247 E278 G503 L504	A120-Q275 WeakPolarHBondContact O-CG 3.45Å; T121-Q275 WeakPolarHBondContact O-CG 3.48Å; T121-Q275 PolarHBondContact O-NE2 2.77Å; H122-Q275 HydrophobicContact CB-CG 4.02Å; W227-Q275 VanDerWaalsContact CD1-O 3.28Å; V230-Q275 PolarHBondContact O-NE2 3.04Å; V230-Q275 PolarHBondContact O-OE1 2.8Å; V230-Q275 VanDerWaalsContact O-OE1 3.1Å; K247-Q275 HydrophobicContact CD-CG 4.31Å; Q275-E278 WeakPolarHBondContact CB-OE2 3.3Å; Q275-E278 HydrophobicContact CG-CG 4.37Å; Q275-E278 PolarHBondContact OE1-OE2 2.94Å; Q275-G503 PolarHBondContact O-N 3.11Å; Q275-L504 HydrophobicContact CB-CD1 3.86Å; Q275-L504 HydrophobicContact CG-CD1 3.83Å
276	A	98.7	Very high	98.1	Very high	9 Å²	9	18.7 Å²	18.7	7%	0.074	12%	0.116	C	C	.	.			trans	-127.3	-102.7	177.2	0	0	0	0	0	110.1	A229 E278 L501 G503	A229-A276 HydrophobicContact CB-CB 4.14Å; A276-E278 VanDerWaalsContact C-OE2 3.23Å; A276-E278 PolarHBondContact N-OE2 3.22Å; A276-L501 WeakPolarHBondContact CA-O 3.41Å; A276-L501 HydrophobicContact CB-CB 4.49Å; A276-G503 WeakPolarHBondContact O-CA 3.46Å; A276-G503 PolarHBondContact O-N 2.86Å
277	N	98.8	Very high	98.3	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	-121.5	64.2	176.2	52.7	-50.4	0	0	0	109.4	D206 F466 T468 R475 L501	D206-N277 PolarHBondContact OD2-ND2 2.87Å; D206-N277 PolarHBondContact OD2-OD1 2.89Å; N277-F466 CarbonylContact C-O 3.49Å; N277-F466 VanDerWaalsContact CA-O 3.27Å; N277-F466 WeakPolarHBondContact CA-O 3.49Å; N277-F466 HydrophobicContact CB-CB 4.14Å; N277-T468 PolarHBondContact ND2-O 2.96Å; N277-R475 PolarHBondContact OD1-NH2 2.96Å; N277-L501 HydrophobicContact CB-CD1 4.11Å
278	E	98.7	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.098	C	C	.	.			trans	-83.2	-1.2	-173.2	70.3	-66.3	148.7	0	0	114.9	A229 H231 Q275 A276 D280 V281 F466 L504	A229-E278 HydrophobicContact CB-CB 4.33Å; H231-E278 PolarHBondContact CE1-O 2.99Å; H231-E278 PolarHBondContact ND1-O 3.44Å; Q275-E278 WeakPolarHBondContact CB-OE2 3.3Å; Q275-E278 HydrophobicContact CG-CG 4.37Å; Q275-E278 PolarHBondContact OE1-OE2 2.94Å; A276-E278 VanDerWaalsContact C-OE2 3.23Å; A276-E278 PolarHBondContact N-OE2 3.22Å; E278-D280 PolarHBondContact O-N 3.44Å; E278-V281 HydrophobicContact CB-CB 4.47Å; E278-V281 WeakPolarHBondContact O-CB 3.49Å; E278-V281 PolarHBondContact O-N 3.17Å; E278-F466 PolarHBondContact N-O 3.23Å; E278-L504 WeakPolarHBondContact OE1-CD1 3.4Å
279	G	98.7	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-28.6	-164.6	0	0	0	0	0	116.1	R185 F466 Y511 E524	R185-G279 PolarHBondContact NE-O 3.41Å; R185-G279 PolarHBondContact NH2-O 3.2Å; G279-F466 WeakPolarHBondContact CA-O 3.14Å; G279-F466 PolarHBondContact N-O 3.22Å; G279-Y511 WeakPolarHBondContact O-CE1 3.44Å; G279-E524 VanDerWaalsContact O-CG 3.25Å; G279-E524 WeakPolarHBondContact O-CG 3.46Å
280	D	98.8	Very high	98.5	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	21.8	176.4	62.6	-17	0	0	0	113.4	N184 R185 E278 T467 T468 E524	N184-D280 CarbonylContact C-O 3.5Å; N184-D280 VanDerWaalsContact CA-O 3.26Å; N184-D280 WeakPolarHBondContact CA-O 3.38Å; N184-D280 PolarHBondContact ND2-OD2 2.73Å; N184-D280 PolarHBondContact OD1-O 3.45Å; R185-D280 PolarHBondContact N-O 3.45Å; E278-D280 PolarHBondContact O-N 3.44Å; D280-T467 HydrophobicContact CB-CG2 4.21Å; D280-T468 WeakPolarHBondContact OD1-CB 3.48Å; D280-T468 PolarHBondContact OD1-N 3.16Å; D280-T468 PolarHBondContact OD1-OG1 2.85Å; D280-E524 HydrophobicContact CB-CG 4.49Å
281	V	98.9	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	104.5	-167.8	-169.2	0	0	0	0	112.3	S182 I183 V205 A229 V230 H231 E278 T468	S182-V281 VanDerWaalsContact CB-CG1 3.44Å; I183-V281 CarbonylContact O-C 3.47Å; I183-V281 WeakPolarHBondContact O-CA 3.49Å; V205-V281 HydrophobicContact CB-CG1 4.24Å; V205-V281 HydrophobicContact CB-CG2 4.35Å; V205-V281 HydrophobicContact CG1-CG1 4.03Å; V205-V281 HydrophobicContact CG1-CG2 4.13Å; A229-V281 HydrophobicContact CB-CG2 4.5Å; A229-V281 VanDerWaalsContact O-CG1 3.26Å; A229-V281 WeakPolarHBondContact O-CG1 3.42Å; V230-V281 HydrophobicContact CB-CG1 4.42Å; H231-V281 WeakPolarHBondContact CB-O 3.14Å; H231-V281 PolarHBondContact N-O 2.67Å; H231-V281 PolarHBondContact ND1-O 3.23Å; H231-V281 VanDerWaalsContact ND1-O 3.17Å; E278-V281 HydrophobicContact CB-CB 4.47Å; E278-V281 WeakPolarHBondContact O-CB 3.49Å; E278-V281 PolarHBondContact O-N 3.17Å; V281-T468 WeakPolarHBondContact CG2-OG1 3.48Å
282	S	98.8	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.7	-178.6	171	0	0	0	0	113.1	S182 I183 N284 D388	S182-S282 CarbonylContact C-O 3.58Å; S182-S282 VanDerWaalsContact CA-O 3.24Å; S182-S282 WeakPolarHBondContact CA-O 3.4Å; I183-S282 PolarHBondContact N-O 3.04Å; I183-S282 PolarHBondContact O-N 3.26Å; S282-N284 VanDerWaalsContact C-N 3.26Å; S282-N284 VanDerWaalsContact OG-CB 3.31Å; S282-N284 WeakPolarHBondContact OG-CB 3.46Å; S282-N284 PolarHBondContact OG-N 3.46Å; S282-D388 VanDerWaalsContact CB-OD1 3.31Å; S282-D388 WeakPolarHBondContact CB-OD1 3.44Å; S282-D388 WeakPolarHBondContact CB-OD2 3.46Å; S282-D388 VanDerWaalsContact OG-CG 3.31Å; S282-D388 PolarHBondContact OG-OD1 3.27Å; S282-D388 PolarHBondContact OG-OD2 3.42Å
283	P	98.8	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-78.6	-8.6	168.8	35.7	-37.6	0	0	0	113	V230 H231 V233 S234 N246 T285 I327	V230-P283 HydrophobicContact CG2-CB 3.71Å; V230-P283 HydrophobicContact CG2-CG 4.48Å; H231-P283 WeakPolarHBondContact O-CD 3.46Å; H231-P283 VanDerWaalsContact O-CG 3.29Å; H231-P283 WeakPolarHBondContact O-CG 3.13Å; V233-P283 HydrophobicContact CG2-CG 3.59Å; S234-P283 WeakPolarHBondContact OG-CB 3.47Å; N246-P283 WeakPolarHBondContact ND2-CB 3.22Å; P283-T285 PolarHBondContact O-N 2.86Å; P283-I327 HydrophobicContact CB-CG1 4.27Å; P283-I327 HydrophobicContact CB-CG2 4.03Å; P283-I327 WeakPolarHBondContact O-CD1 3.35Å
284	N	98.6	Very high	97.8	Very high	9 Å²	9	28.6 Å²	28.6	5%	0.048	18%	0.178	C	C	.	.			trans	-81.6	66.4	-173.6	-65.5	-43.1	0	0	0	111.2	I183 S282 A286 G287 A313 Y314 G315 D388	I183-N284 WeakPolarHBondContact CD1-O 3.31Å; S282-N284 VanDerWaalsContact C-N 3.26Å; S282-N284 VanDerWaalsContact OG-CB 3.31Å; S282-N284 WeakPolarHBondContact OG-CB 3.46Å; S282-N284 PolarHBondContact OG-N 3.46Å; N284-A286 PolarHBondContact O-N 3.15Å; N284-A286 VanDerWaalsContact O-N 3.08Å; N284-G287 PolarHBondContact O-N 2.76Å; N284-A313 HydrophobicContact CB-CB 3.74Å; N284-Y314 CarbonylContact C-O 3.56Å; N284-Y314 VanDerWaalsContact CA-O 3.3Å; N284-Y314 WeakPolarHBondContact CA-O 3.36Å; N284-Y314 WeakPolarHBondContact CB-O 3.22Å; N284-Y314 VanDerWaalsContact O-O 3.08Å; N284-G315 PolarHBondContact OD1-N 3.49Å; N284-D388 PolarHBondContact ND2-OD1 2.02Å
285	T	98.3	Very high	97.7	Very high	36 Å²	36	33.8 Å²	33.8	22%	0.221	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.9	-168.5	55.2	0	0	0	0	116.4	I183 P283 G287 Y314 I327	I183-T285 HydrophobicContact CG2-CG2 4.36Å; P283-T285 PolarHBondContact O-N 2.86Å; T285-G287 PolarHBondContact O-N 2.8Å; T285-Y314 PolarHBondContact N-O 3.07Å; T285-I327 HydrophobicContact CG2-CD1 4.19Å
286	A	97.1	Very high	97.6	Very high	58 Å²	58	38.9 Å²	38.9	48%	0.479	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.5	172.5	0	0	0	0	0	112.8	N284 Y314	N284-A286 PolarHBondContact O-N 3.15Å; N284-A286 VanDerWaalsContact O-N 3.08Å; A286-Y314 VanDerWaalsContact CB-O 3.22Å; A286-Y314 WeakPolarHBondContact CB-O 3.48Å; A286-Y314 PolarHBondContact N-O 3.1Å
287	G	97.2	Very high	97.6	Very high	15 Å²	15	39.3 Å²	39.3	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.3	167.2	173.3	0	0	0	0	0	114.6	N284 T285 A313 Y314	N284-G287 PolarHBondContact O-N 2.76Å; T285-G287 PolarHBondContact O-N 2.8Å; G287-A313 WeakPolarHBondContact O-CA 3.39Å; G287-Y314 PolarHBondContact O-N 2.83Å
288	P	97.7	Very high	97.5	Very high	53 Å²	53	42.6 Å²	42.6	34%	0.344	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.3	-176.8	32.5	-35.5	0	0	0	112.8	C297 I312 A313 T387	P288-C297 HydrophobicContact CB-CB 4.37Å; P288-I312 WeakPolarHBondContact CA-O 3.48Å; P288-A313 HydrophobicContact CB-CB 4.25Å; P288-T387 HydrophobicContact CB-CG2 3.64Å; P288-T387 HydrophobicContact CG-CG2 4.32Å
289	R	97.7	Very high	97.4	Very high	94 Å²	94	48 Å²	48	36%	0.355	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.8	174.6	62.9	-178	179.2	-104.3	1.9	111.6	I291 L295 C297 I312 Y314	R289-I291 PolarHBondContact O-N 2.82Å; R289-L295 CarbonylContact C-O 3.48Å; R289-L295 WeakPolarHBondContact CA-O 3.22Å; R289-C297 VanDerWaalsContact C-SG 3.51Å; R289-I312 PolarHBondContact N-O 3.08Å; R289-I312 PolarHBondContact O-N 3.41Å; R289-I312 VanDerWaalsContact O-N 3.09Å; R289-Y314 HydrophobicContact CG-CD2 3.95Å; R289-Y314 HydrophobicContact CG-CE2 3.76Å; R289-Y314 VanDerWaalsContact CZ-CE2 3.48Å
290	C	97.7	Very high	97.3	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.4	172.6	-61.2	0	0	0	0	110.1	D292 T293 G294 L295 C304 N310	C290-D292 VanDerWaalsContact CB-OD1 3.31Å; C290-D292 WeakPolarHBondContact CB-OD1 3.29Å; C290-D292 PolarHBondContact O-N 2.84Å; C290-T293 VanDerWaalsContact CB-OG1 3.23Å; C290-T293 WeakPolarHBondContact CB-OG1 3.43Å; C290-T293 PolarHBondContact O-N 3.17Å; C290-G294 VanDerWaalsContact O-CA 3.29Å; C290-G294 WeakPolarHBondContact O-CA 3.44Å; C290-G294 PolarHBondContact O-N 2.87Å; C290-L295 PolarHBondContact N-O 3.34Å; C290-C304 WeakPolarHBondContact CA-SG 3.39Å; C290-C304 HydrophobicContact CB-CB 3.7Å; C290-C304 WeakPolarHBondContact CB-SG 3.44Å; C290-C304 WeakPolarHBondContact SG-CB 3.32Å; C290-C304 CovalentContact SG-SG 2.02Å; C290-C304 PolarHBondContact SG-SG 3.34Å; C290-N310 CarbonylContact C-O 3.47Å; C290-N310 VanDerWaalsContact CA-O 3.27Å; C290-N310 WeakPolarHBondContact CA-O 3.31Å
291	I	95.9	Very high	97.2	Very high	83 Å²	83	53 Å²	53	43%	0.426	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.4	-174.6	67.7	-178.8	0	0	0	113.5	R289 N310 I312 Y314	R289-I291 PolarHBondContact O-N 2.82Å; I291-N310 HydrophobicContact CG1-CB 4.1Å; I291-N310 WeakPolarHBondContact CG2-O 3.26Å; I291-N310 PolarHBondContact N-O 3.14Å; I291-I312 HydrophobicContact CD1-CD1 4.42Å; I291-I312 HydrophobicContact CG2-CB 4.02Å; I291-I312 HydrophobicContact CG2-CD1 3.94Å; I291-I312 HydrophobicContact CG2-CG1 4.02Å; I291-Y314 HydrophobicContact CG2-CE2 4.31Å; I291-Y314 WeakPolarHBondContact CG2-OH 3.29Å
292	D	94.9	Very high	97.2	Very high	94 Å²	94	53.4 Å²	53.4	50%	0.503	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-34.4	-179.3	52.5	3.9	0	0	0	113.2	C290 N310	C290-D292 VanDerWaalsContact CB-OD1 3.31Å; C290-D292 WeakPolarHBondContact CB-OD1 3.29Å; C290-D292 PolarHBondContact O-N 2.84Å; D292-N310 PolarHBondContact OD2-ND2 3.1Å
293	T	96.1	Very high	97.1	Very high	86 Å²	86	54 Å²	54	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-18.8	-172.1	55.9	0	0	0	0	114	C290 L295	C290-T293 VanDerWaalsContact CB-OG1 3.23Å; C290-T293 WeakPolarHBondContact CB-OG1 3.43Å; C290-T293 PolarHBondContact O-N 3.17Å; T293-L295 PolarHBondContact O-N 2.75Å; T293-L295 PolarHBondContact OG1-N 2.87Å
294	G	95.5	Very high	96.9	Very high	53 Å²	53	54.4 Å²	54.4	55%	0.546	32%	0.318	S	S	.	.			trans	75.4	-1	-172.6	0	0	0	0	0	114.9	C290	C290-G294 VanDerWaalsContact O-CA 3.29Å; C290-G294 WeakPolarHBondContact O-CA 3.44Å; C290-G294 PolarHBondContact O-N 2.87Å
295	L	96.6	Very high	96.7	Very high	108 Å²	108	58.4 Å²	58.4	57%	0.565	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-74.6	156.8	179.9	-64.2	176.5	0	0	0	111.8	R289 C290 T293	R289-L295 CarbonylContact C-O 3.48Å; R289-L295 WeakPolarHBondContact CA-O 3.22Å; C290-L295 PolarHBondContact N-O 3.34Å; T293-L295 PolarHBondContact O-N 2.75Å; T293-L295 PolarHBondContact OG1-N 2.87Å
296	P	96.6	Very high	96.4	Very high	107 Å²	107	58.6 Å²	58.6	70%	0.695	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-56.8	142.2	169.1	-22.9	33.9	0	0	0	111.5
297	C	97.7	Very high	96.2	Very high	18 Å²	18	61.8 Å²	61.8	12%	0.122	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-66.2	162.7	173.1	-59.4	0	0	0	0	112.6	P288 R289 F299 C311	P288-C297 HydrophobicContact CB-CB 4.37Å; R289-C297 VanDerWaalsContact C-SG 3.51Å; C297-F299 PolarHBondContact O-N 3.03Å; C297-C311 HydrophobicContact CB-CB 3.96Å; C297-C311 WeakPolarHBondContact CB-SG 3.42Å; C297-C311 WeakPolarHBondContact SG-CA 3.31Å; C297-C311 WeakPolarHBondContact SG-CB 3.48Å; C297-C311 CovalentContact SG-SG 2.02Å; C297-C311 PolarHBondContact SG-SG 2.82Å
298	D	97.3	Very high	96.1	Very high	70 Å²	70	61.2 Å²	61.2	37%	0.374	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-56.6	128.7	167.7	-177.4	-94.7	0	0	0	111.7	V300 H301 S302 S303	D298-V300 PolarHBondContact O-N 2.95Å; D298-V300 PolarHBondContact OD1-N 2.54Å; D298-V300 VanDerWaalsContact OD1-N 3.13Å; D298-H301 WeakPolarHBondContact OD1-CB 3.42Å; D298-H301 IonicContact OD1-CE1 2.8Å; D298-H301 IonicContact OD1-CG 2.82Å; D298-H301 PolarHBondContact OD1-N 3.43Å; D298-H301 IonicContact OD1-ND1 3.43Å; D298-H301 PolarHBondContact OD1-ND1 2.9Å; D298-S302 VanDerWaalsContact O-CA 3.31Å; D298-S302 WeakPolarHBondContact O-CA 3.26Å; D298-S302 PolarHBondContact O-N 2.84Å; D298-S303 WeakPolarHBondContact CB-O 3.29Å; D298-S303 PolarHBondContact N-O 2.82Å
299	F	96.8	Very high	95.9	Very high	113 Å²	113	61.2 Å²	61.2	50%	0.496	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-36.5	-170.8	-177.4	-108.8	0	0	0	113.6	P187 A188 L191 C297 R522	P187-F299 HydrophobicContact CB-CE2 3.98Å; P187-F299 HydrophobicContact CB-CZ 4.06Å; P187-F299 HydrophobicContact CG-CD2 4.29Å; P187-F299 HydrophobicContact CG-CE2 3.56Å; P187-F299 HydrophobicContact CG-CZ 4.04Å; A188-F299 HydrophobicContact CB-CD1 3.8Å; A188-F299 HydrophobicContact CB-CE1 3.52Å; A188-F299 HydrophobicContact CB-CZ 4.14Å; L191-F299 HydrophobicContact CD1-CE1 4.14Å; L191-F299 HydrophobicContact CD1-CZ 3.92Å; C297-F299 PolarHBondContact O-N 3.03Å; F299-R522 PolarHBondContact O-NH1 3.39Å
300	V	96.7	Very high	95.8	Very high	47 Å²	47	59.2 Å²	59.2	29%	0.285	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-37.1	-174.5	176	0	0	0	0	111.8	A188 D298 L520 R522	A188-V300 HydrophobicContact CB-CG2 4.17Å; D298-V300 PolarHBondContact O-N 2.95Å; D298-V300 PolarHBondContact OD1-N 2.54Å; D298-V300 VanDerWaalsContact OD1-N 3.13Å; V300-L520 HydrophobicContact CG1-CD1 4.08Å; V300-L520 HydrophobicContact CG1-CD2 4.47Å; V300-L520 HydrophobicContact CG1-CG 4.47Å; V300-R522 VanDerWaalsContact C-NH1 3.25Å; V300-R522 PolarHBondContact O-NH1 3.1Å
301	H	97	Very high	95.8	Very high	62 Å²	62	58.9 Å²	58.9	29%	0.287	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-9.6	-170.5	-51.2	90.3	0	0	0	113.9	D298 S303 I396 Q397	D298-H301 WeakPolarHBondContact OD1-CB 3.42Å; D298-H301 IonicContact OD1-CE1 2.8Å; D298-H301 IonicContact OD1-CG 2.82Å; D298-H301 PolarHBondContact OD1-N 3.43Å; D298-H301 IonicContact OD1-ND1 3.43Å; D298-H301 PolarHBondContact OD1-ND1 2.9Å; H301-S303 VanDerWaalsContact C-N 3.32Å; H301-S303 PolarHBondContact O-N 2.99Å; H301-I396 HydrophobicContact CB-CB 4.35Å; H301-I396 HydrophobicContact CB-CD1 4.24Å; H301-Q397 WeakPolarHBondContact CA-O 3.37Å; H301-Q397 WeakPolarHBondContact CB-O 3.07Å; H301-Q397 PolarHBondContact CD2-O 3.23Å; H301-Q397 PolarHBondContact O-N 3.42Å
302	S	97.4	Very high	95.9	Very high	8 Å²	8	56.3 Å²	56.3	6%	0.056	34%	0.34	C	S	.	.			trans	50.2	51.4	-175	-49.8	0	0	0	0	112.2	D298 C311 Q397 R522	D298-S302 VanDerWaalsContact O-CA 3.31Å; D298-S302 WeakPolarHBondContact O-CA 3.26Å; D298-S302 PolarHBondContact O-N 2.84Å; S302-C311 WeakPolarHBondContact O-CB 3.46Å; S302-Q397 PolarHBondContact OG-NE2 2.88Å; S302-R522 VanDerWaalsContact OG-CZ 3.23Å; S302-R522 PolarHBondContact OG-NH1 3Å; S302-R522 PolarHBondContact OG-NH2 2.7Å
303	S	96.7	Very high	96	Very high	13 Å²	13	52.1 Å²	52.1	9%	0.091	32%	0.318	C	S	.	.			trans	-131.7	158.7	-175.6	75.8	0	0	0	0	111.7	D298 H301 R307	D298-S303 WeakPolarHBondContact CB-O 3.29Å; D298-S303 PolarHBondContact N-O 2.82Å; H301-S303 VanDerWaalsContact C-N 3.32Å; H301-S303 PolarHBondContact O-N 2.99Å; S303-R307 CarbonylContact C-O 3.4Å; S303-R307 VanDerWaalsContact CA-O 3.28Å; S303-R307 WeakPolarHBondContact CA-O 3.2Å; S303-R307 WeakPolarHBondContact CB-O 3.49Å
304	C	96.2	Very high	96.1	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.061	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-126.7	114.1	175.7	-60.8	0	0	0	0	107.1	C290 G306 R307 N310	C290-C304 WeakPolarHBondContact CA-SG 3.39Å; C290-C304 HydrophobicContact CB-CB 3.7Å; C290-C304 WeakPolarHBondContact CB-SG 3.44Å; C290-C304 WeakPolarHBondContact SG-CB 3.32Å; C290-C304 CovalentContact SG-SG 2.02Å; C290-C304 PolarHBondContact SG-SG 3.34Å; C304-G306 PolarHBondContact O-N 2.82Å; C304-R307 PolarHBondContact N-O 2.73Å; C304-R307 PolarHBondContact O-N 2.87Å; C304-N310 HydrophobicContact CB-CB 3.78Å
305	G	93	Very high	96.2	Very high	92 Å²	92	49.7 Å²	49.7	95%	0.948	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	29.3	-171.8	0	0	0	0	0	113.9
306	G	92.6	Very high	96.3	Very high	41 Å²	41	46.9 Å²	46.9	42%	0.423	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	14.1	-178.7	0	0	0	0	0	115	C304 I396	C304-G306 PolarHBondContact O-N 2.82Å; G306-I396 WeakPolarHBondContact O-CG2 3.49Å
307	R	93.3	Very high	96.3	Very high	124 Å²	124	42.8 Å²	42.8	47%	0.468	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-122.7	135.9	176.6	-66	-66.7	-176.4	167.2	-4.4	110.9	S303 C304 F393 D394	S303-R307 CarbonylContact C-O 3.4Å; S303-R307 VanDerWaalsContact CA-O 3.28Å; S303-R307 WeakPolarHBondContact CA-O 3.2Å; S303-R307 WeakPolarHBondContact CB-O 3.49Å; C304-R307 PolarHBondContact N-O 2.73Å; C304-R307 PolarHBondContact O-N 2.87Å; R307-F393 PolarHBondContact NH1-O 3.45Å; R307-D394 VanDerWaalsContact NH1-CA 3.28Å
308	T	94.8	Very high	96.3	Very high	3 Å²	3	47 Å²	47	2%	0.018	28%	0.283	C	S	.	.	S	Bend	trans	-79.6	-28.2	-179.8	50.9	0	0	0	0	112.7	N310 C311 A384 P390 F395 I396	T308-N310 PolarHBondContact O-N 3.18Å; T308-N310 VanDerWaalsContact O-N 3.08Å; T308-C311 PolarHBondContact O-N 3.42Å; T308-A384 HydrophobicContact CG2-CB 4.24Å; T308-P390 WeakPolarHBondContact O-CB 3.33Å; T308-F395 VanDerWaalsContact CG2-O 3.25Å; T308-F395 WeakPolarHBondContact CG2-O 3.15Å; T308-F395 PolarHBondContact OG1-O 3.25Å; T308-I396 HydrophobicContact CG2-CB 4.37Å; T308-I396 HydrophobicContact CG2-CG2 4.22Å
309	Q	94	Very high	96.3	Very high	53 Å²	53	47.4 Å²	47.4	25%	0.248	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.4	-174.4	-63.3	86.6	-12.1	0	0	113.3	F393	Q309-F393 PolarHBondContact NE2-O 3.36Å
310	N	95	Very high	96.4	Very high	52 Å²	52	43.5 Å²	43.5	28%	0.278	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.7	179	-74.4	0.6	0	0	0	113.1	C290 I291 D292 C304 T308	C290-N310 CarbonylContact C-O 3.47Å; C290-N310 VanDerWaalsContact CA-O 3.27Å; C290-N310 WeakPolarHBondContact CA-O 3.31Å; I291-N310 HydrophobicContact CG1-CB 4.1Å; I291-N310 WeakPolarHBondContact CG2-O 3.26Å; I291-N310 PolarHBondContact N-O 3.14Å; D292-N310 PolarHBondContact OD2-ND2 3.1Å; C304-N310 HydrophobicContact CB-CB 3.78Å; T308-N310 PolarHBondContact O-N 3.18Å; T308-N310 VanDerWaalsContact O-N 3.08Å
311	C	97.5	Very high	96.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	103.1	179.4	179.2	0	0	0	0	111.2	C297 S302 T308	C297-C311 HydrophobicContact CB-CB 3.96Å; C297-C311 WeakPolarHBondContact CB-SG 3.42Å; C297-C311 WeakPolarHBondContact SG-CA 3.31Å; C297-C311 WeakPolarHBondContact SG-CB 3.48Å; C297-C311 CovalentContact SG-SG 2.02Å; C297-C311 PolarHBondContact SG-SG 2.82Å; S302-C311 WeakPolarHBondContact O-CB 3.46Å; T308-C311 PolarHBondContact O-N 3.42Å
312	I	97.6	Very high	96.6	Very high	29 Å²	29	46.1 Å²	46.1	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.8	-175.3	-58.8	-177	0	0	0	110.2	P288 R289 I291 Y314 P390	P288-I312 WeakPolarHBondContact CA-O 3.48Å; R289-I312 PolarHBondContact N-O 3.08Å; R289-I312 PolarHBondContact O-N 3.41Å; R289-I312 VanDerWaalsContact O-N 3.09Å; I291-I312 HydrophobicContact CD1-CD1 4.42Å; I291-I312 HydrophobicContact CG2-CB 4.02Å; I291-I312 HydrophobicContact CG2-CD1 3.94Å; I291-I312 HydrophobicContact CG2-CG1 4.02Å; I312-Y314 HydrophobicContact CB-CE2 4.05Å; I312-Y314 HydrophobicContact CG2-CD2 4.44Å; I312-Y314 HydrophobicContact CG2-CE2 4.07Å; I312-Y314 WeakPolarHBondContact O-CD2 3.32Å; I312-Y314 WeakPolarHBondContact O-CE2 3.44Å; I312-P390 HydrophobicContact CG1-CG 4.27Å
313	A	98.2	Very high	96.6	Very high	5 Å²	5	46 Å²	46	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.2	168.9	0	0	0	0	0	110.7	N284 G287 P288 T387	N284-A313 HydrophobicContact CB-CB 3.74Å; G287-A313 WeakPolarHBondContact O-CA 3.39Å; P288-A313 HydrophobicContact CB-CB 4.25Å; A313-T387 PolarHBondContact N-O 3.15Å
314	Y	97.4	Very high	96.7	Very high	77 Å²	77	45.4 Å²	45.4	30%	0.302	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.8	-176.4	-69.5	-93.8	0	0	0	112.4	N284 T285 A286 G287 R289 I291 I312	N284-Y314 CarbonylContact C-O 3.56Å; N284-Y314 VanDerWaalsContact CA-O 3.3Å; N284-Y314 WeakPolarHBondContact CA-O 3.36Å; N284-Y314 WeakPolarHBondContact CB-O 3.22Å; N284-Y314 VanDerWaalsContact O-O 3.08Å; T285-Y314 PolarHBondContact N-O 3.07Å; A286-Y314 VanDerWaalsContact CB-O 3.22Å; A286-Y314 WeakPolarHBondContact CB-O 3.48Å; A286-Y314 PolarHBondContact N-O 3.1Å; G287-Y314 PolarHBondContact O-N 2.83Å; R289-Y314 HydrophobicContact CG-CD2 3.95Å; R289-Y314 HydrophobicContact CG-CE2 3.76Å; R289-Y314 VanDerWaalsContact CZ-CE2 3.48Å; I291-Y314 HydrophobicContact CG2-CE2 4.31Å; I291-Y314 WeakPolarHBondContact CG2-OH 3.29Å; I312-Y314 HydrophobicContact CB-CE2 4.05Å; I312-Y314 HydrophobicContact CG2-CD2 4.44Å; I312-Y314 HydrophobicContact CG2-CE2 4.07Å; I312-Y314 WeakPolarHBondContact O-CD2 3.32Å; I312-Y314 WeakPolarHBondContact O-CE2 3.44Å
315	G	98	Very high	96.8	Very high	12 Å²	12	51.3 Å²	51.3	12%	0.124	30%	0.296	C	S	.	.			trans	-67.6	171.8	168.9	0	0	0	0	0	113.1	N284 G317 S323	N284-G315 PolarHBondContact OD1-N 3.49Å; G315-G317 VanDerWaalsContact C-N 3.32Å; G315-G317 PolarHBondContact O-N 3.37Å; G315-S323 WeakPolarHBondContact CA-OG 3.36Å
316	P	98	Very high	97.1	Very high	49 Å²	49	49.3 Å²	49.3	32%	0.318	26%	0.263	S	S	.	.	S	Bend	trans	-79.9	-7.5	-177.7	32.6	-37	0	0	0	114.7	I326 I327	P316-I326 HydrophobicContact CB-CD1 4.49Å; P316-I326 HydrophobicContact CB-CG2 4.2Å; P316-I326 HydrophobicContact CG-CB 3.96Å; P316-I326 HydrophobicContact CG-CD1 4.29Å; P316-I326 HydrophobicContact CG-CG2 3.54Å; P316-I327 HydrophobicContact CG-CD1 3.89Å; P316-I327 HydrophobicContact CG-CG1 4.15Å
317	G	97.9	Very high	97.4	Very high	21 Å²	21	47.3 Å²	47.3	22%	0.216	24%	0.243	C	C	.	.	S	Bend	trans	-91.5	175.1	-179.5	0	0	0	0	0	113.4	G315 D319 S323	G315-G317 VanDerWaalsContact C-N 3.32Å; G315-G317 PolarHBondContact O-N 3.37Å; G317-D319 VanDerWaalsContact C-N 3.28Å; G317-S323 WeakPolarHBondContact CA-OG 3.43Å; G317-S323 PolarHBondContact N-OG 3.05Å
318	S	97.2	Very high	97.7	Very high	107 Å²	107	41.4 Å²	41.4	75%	0.748	22%	0.221	S	C	*	.	S	Bend	trans	-70.1	-26.6	173.5	62.3	0	0	0	0	112.9	E322	S318-E322 WeakPolarHBondContact CB-OE2 3.45Å; S318-E322 PolarHBondContact N-OE2 2.94Å; S318-E322 PolarHBondContact OG-OE2 2.98Å
319	D	97.9	Very high	97.9	Very high	78 Å²	78	46.7 Å²	46.7	42%	0.417	24%	0.241	S	C	.	.	S	Bend	trans	-140.7	-177.1	172.6	67.6	30.4	0	0	0	111.4	G317 F321 E322 S323	G317-D319 VanDerWaalsContact C-N 3.28Å; D319-F321 WeakPolarHBondContact OD1-CA 3.4Å; D319-F321 WeakPolarHBondContact OD1-CB 3.05Å; D319-F321 PolarHBondContact OD1-N 2.81Å; D319-E322 PolarHBondContact OD1-N 3.02Å; D319-S323 WeakPolarHBondContact O-CB 3.24Å; D319-S323 PolarHBondContact O-N 2.95Å; D319-S323 PolarHBondContact O-OG 2.92Å
320	M	98	Very high	98.1	Very high	30 Å²	30	47 Å²	47	15%	0.148	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-31.1	178.7	61.6	-166.2	-73.3	0	0	113.9	M235 N239 T324	M235-M320 HydrophobicContact CB-CE 3.88Å; M235-M320 HydrophobicContact CE-CE 3.51Å; M235-M320 HydrophobicContact CE-CG 4.5Å; M235-M320 HydrophobicContact SD-CE 3.92Å; M235-M320 HydrophobicContact SD-CG 4.32Å; N239-M320 HydrophobicContact CB-CE 3.39Å; M320-T324 VanDerWaalsContact O-CB 3.31Å; M320-T324 WeakPolarHBondContact O-CB 3.39Å; M320-T324 PolarHBondContact O-N 2.78Å; M320-T324 PolarHBondContact O-OG1 3.45Å
321	F	98.6	Very high	98.3	Very high	81 Å²	81	44.6 Å²	44.6	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-72.5	-45.6	179.1	-62.8	-84	0	0	0	110.5	H61 M235 L241 D319 T324 K325	H61-F321 AromaticContact CE1-CD1 3.85Å; M235-F321 HydrophobicContact CE-CD1 3.79Å; M235-F321 HydrophobicContact CE-CE1 3.45Å; M235-F321 VanDerWaalsContact CE-CE1 3.45Å; M235-F321 HydrophobicContact CE-CZ 3.97Å; M235-F321 HydrophobicContact SD-CD1 4.08Å; M235-F321 HydrophobicContact SD-CE1 4.36Å; L241-F321 HydrophobicContact CD1-CE1 4.01Å; L241-F321 HydrophobicContact CD1-CZ 4Å; D319-F321 WeakPolarHBondContact OD1-CA 3.4Å; D319-F321 WeakPolarHBondContact OD1-CB 3.05Å; D319-F321 PolarHBondContact OD1-N 2.81Å; F321-T324 PolarHBondContact O-N 3.38Å; F321-K325 WeakPolarHBondContact O-CB 3.35Å; F321-K325 PolarHBondContact O-N 2.76Å
322	E	98.5	Very high	98.3	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-40.9	174.1	-172.6	175.8	-154	0	0	111	S318 D319 T324 K325 I326	S318-E322 WeakPolarHBondContact CB-OE2 3.45Å; S318-E322 PolarHBondContact N-OE2 2.94Å; S318-E322 PolarHBondContact OG-OE2 2.98Å; D319-E322 PolarHBondContact OD1-N 3.02Å; E322-T324 PolarHBondContact O-N 2.92Å; E322-K325 PolarHBondContact O-N 2.97Å; E322-I326 HydrophobicContact CG-CD1 3.84Å; E322-I326 HydrophobicContact CG-CG1 4.3Å; E322-I326 WeakPolarHBondContact O-CB 3.31Å; E322-I326 VanDerWaalsContact O-CG1 3.29Å; E322-I326 WeakPolarHBondContact O-CG1 3.45Å; E322-I326 PolarHBondContact O-N 2.86Å
323	S	98.7	Very high	98.4	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-47.5	173.8	-66.6	0	0	0	0	111.6	G315 G317 D319 K325 I326 I327	G315-S323 WeakPolarHBondContact CA-OG 3.36Å; G317-S323 WeakPolarHBondContact CA-OG 3.43Å; G317-S323 PolarHBondContact N-OG 3.05Å; D319-S323 WeakPolarHBondContact O-CB 3.24Å; D319-S323 PolarHBondContact O-N 2.95Å; D319-S323 PolarHBondContact O-OG 2.92Å; S323-K325 VanDerWaalsContact C-N 3.33Å; S323-K325 PolarHBondContact O-N 2.96Å; S323-I326 PolarHBondContact O-N 2.72Å; S323-I327 WeakPolarHBondContact O-CG1 3.41Å; S323-I327 PolarHBondContact O-N 3.26Å
324	T	98.8	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-46.5	175.2	-59.8	0	0	0	0	110.9	S234 M235 N246 L249 M320 F321 E322 A328	S234-T324 WeakPolarHBondContact CB-OG1 3.34Å; M235-T324 HydrophobicContact CG-CG2 4.38Å; M235-T324 WeakPolarHBondContact CG-OG1 3.49Å; M235-T324 PolarHBondContact N-OG1 3.47Å; M235-T324 PolarHBondContact SD-OG1 2.9Å; M235-T324 VanDerWaalsContact SD-OG1 3.32Å; N246-T324 HydrophobicContact CB-CG2 4.36Å; L249-T324 HydrophobicContact CD2-CG2 4.28Å; M320-T324 VanDerWaalsContact O-CB 3.31Å; M320-T324 WeakPolarHBondContact O-CB 3.39Å; M320-T324 PolarHBondContact O-N 2.78Å; M320-T324 PolarHBondContact O-OG1 3.45Å; F321-T324 PolarHBondContact O-N 3.38Å; E322-T324 PolarHBondContact O-N 2.92Å; T324-A328 WeakPolarHBondContact O-CB 2.94Å; T324-A328 PolarHBondContact O-N 3.34Å
325	K	98.7	Very high	98.5	Very high	134 Å²	134	46.8 Å²	46.8	58%	0.583	24%	0.239	S	C	*	.	H	α-helix	trans	-61.4	-45.2	177	-174.6	-175.8	176.9	-175.4	0	112.7	L249 F321 E322 S323 A328 Y329	L249-K325 HydrophobicContact CD2-CB 4.28Å; F321-K325 WeakPolarHBondContact O-CB 3.35Å; F321-K325 PolarHBondContact O-N 2.76Å; E322-K325 PolarHBondContact O-N 2.97Å; S323-K325 VanDerWaalsContact C-N 3.33Å; S323-K325 PolarHBondContact O-N 2.96Å; K325-A328 PolarHBondContact O-N 3.21Å; K325-Y329 VanDerWaalsContact O-CB 3.24Å; K325-Y329 WeakPolarHBondContact O-CB 3.42Å; K325-Y329 PolarHBondContact O-N 3.15Å
326	I	98.8	Very high	98.5	Very high	49 Å²	49	48.9 Å²	48.9	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-47.1	-179.3	-70.9	166.1	0	0	0	110.6	P316 E322 S323 Y329 K330	P316-I326 HydrophobicContact CB-CD1 4.49Å; P316-I326 HydrophobicContact CB-CG2 4.2Å; P316-I326 HydrophobicContact CG-CB 3.96Å; P316-I326 HydrophobicContact CG-CD1 4.29Å; P316-I326 HydrophobicContact CG-CG2 3.54Å; E322-I326 HydrophobicContact CG-CD1 3.84Å; E322-I326 HydrophobicContact CG-CG1 4.3Å; E322-I326 WeakPolarHBondContact O-CB 3.31Å; E322-I326 VanDerWaalsContact O-CG1 3.29Å; E322-I326 WeakPolarHBondContact O-CG1 3.45Å; E322-I326 PolarHBondContact O-N 2.86Å; S323-I326 PolarHBondContact O-N 2.72Å; I326-Y329 PolarHBondContact O-N 2.7Å; I326-K330 HydrophobicContact CG2-CD 4.31Å; I326-K330 WeakPolarHBondContact O-CG 3.44Å; I326-K330 PolarHBondContact O-N 3.32Å
327	I	98.8	Very high	98.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-41	179.6	-60.7	-62.8	0	0	0	110.7	N246 P283 T285 P316 S323 K330 Q331	N246-I327 HydrophobicContact CB-CB 4.06Å; N246-I327 HydrophobicContact CB-CG2 3.81Å; P283-I327 HydrophobicContact CB-CG1 4.27Å; P283-I327 HydrophobicContact CB-CG2 4.03Å; P283-I327 WeakPolarHBondContact O-CD1 3.35Å; T285-I327 HydrophobicContact CG2-CD1 4.19Å; P316-I327 HydrophobicContact CG-CD1 3.89Å; P316-I327 HydrophobicContact CG-CG1 4.15Å; S323-I327 WeakPolarHBondContact O-CG1 3.41Å; S323-I327 PolarHBondContact O-N 3.26Å; I327-K330 PolarHBondContact O-N 3.04Å; I327-Q331 PolarHBondContact O-N 3.23Å; I327-Q331 VanDerWaalsContact O-N 3.14Å
328	A	98.9	Very high	98.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-46.5	173.5	0	0	0	0	0	112.2	N246 L249 A250 T324 K325 K330 Q331 F332	N246-A328 WeakPolarHBondContact O-CA 3.25Å; N246-A328 WeakPolarHBondContact O-CB 3.19Å; L249-A328 HydrophobicContact CB-CB 3.72Å; L249-A328 HydrophobicContact CD2-CB 3.77Å; L249-A328 HydrophobicContact CG-CB 3.7Å; A250-A328 HydrophobicContact CB-CB 4.29Å; A250-A328 WeakPolarHBondContact CB-O 3.35Å; T324-A328 WeakPolarHBondContact O-CB 2.94Å; T324-A328 PolarHBondContact O-N 3.34Å; K325-A328 PolarHBondContact O-N 3.21Å; A328-K330 PolarHBondContact O-N 3.16Å; A328-Q331 PolarHBondContact O-N 3Å; A328-F332 WeakPolarHBondContact O-CB 3.18Å; A328-F332 PolarHBondContact O-N 2.81Å
329	Y	98.7	Very high	98.7	Very high	113 Å²	113	43.9 Å²	43.9	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-40	-178.9	-168	-97.8	0	0	0	111.8	L253 K325 I326 Q331 F332 E333	L253-Y329 HydrophobicContact CD1-CD2 4.42Å; K325-Y329 VanDerWaalsContact O-CB 3.24Å; K325-Y329 WeakPolarHBondContact O-CB 3.42Å; K325-Y329 PolarHBondContact O-N 3.15Å; I326-Y329 PolarHBondContact O-N 2.7Å; Y329-Q331 PolarHBondContact O-N 3.27Å; Y329-F332 HydrophobicContact CD2-CD1 4.08Å; Y329-F332 HydrophobicContact CE2-CD1 4.04Å; Y329-F332 HydrophobicContact CE2-CE1 4.16Å; Y329-F332 PolarHBondContact O-N 3.11Å; Y329-E333 HydrophobicContact CD1-CG 3.64Å; Y329-E333 HydrophobicContact CE1-CG 3.23Å; Y329-E333 HydrophobicContact CE2-CG 4.39Å; Y329-E333 HydrophobicContact CG-CG 4.34Å; Y329-E333 VanDerWaalsContact CZ-OE1 3.27Å; Y329-E333 WeakPolarHBondContact O-CB 3Å; Y329-E333 VanDerWaalsContact O-CG 3.27Å; Y329-E333 WeakPolarHBondContact O-CG 3.42Å; Y329-E333 PolarHBondContact O-N 2.88Å; Y329-E333 PolarHBondContact OH-OE1 2.95Å
330	K	98.8	Very high	98.7	Very high	61 Å²	61	44.2 Å²	44.2	27%	0.265	21%	0.206	S	C	.	.	H	α-helix	trans	-59.4	-45	173.3	-76.3	173.8	178.1	173.3	0	112.2	L178 N180 A181 I326 I327 A328 K334	L178-K330 HydrophobicContact CD1-CB 4.33Å; N180-K330 WeakPolarHBondContact O-CD 3.26Å; N180-K330 PolarHBondContact O-NZ 3.46Å; A181-K330 HydrophobicContact CB-CB 4.41Å; A181-K330 HydrophobicContact CB-CD 4.44Å; I326-K330 HydrophobicContact CG2-CD 4.31Å; I326-K330 WeakPolarHBondContact O-CG 3.44Å; I326-K330 PolarHBondContact O-N 3.32Å; I327-K330 PolarHBondContact O-N 3.04Å; A328-K330 PolarHBondContact O-N 3.16Å; K330-K334 PolarHBondContact O-N 3.05Å
331	Q	98.8	Very high	98.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-47.1	175.3	-71.3	-177.9	86.8	0	0	111.3	L178 M209 F228 N246 A250 F273 I327 A328 Y329 K334 A335	L178-Q331 HydrophobicContact CD2-CB 4.39Å; L178-Q331 HydrophobicContact CD2-CG 3.85Å; M209-Q331 HydrophobicContact CE-CB 4.29Å; M209-Q331 HydrophobicContact CE-CG 4.39Å; F228-Q331 HydrophobicContact CD1-CG 4.2Å; F228-Q331 HydrophobicContact CE1-CG 4.49Å; N246-Q331 PolarHBondContact OD1-NE2 3.13Å; A250-Q331 HydrophobicContact CB-CB 4.05Å; F273-Q331 HydrophobicContact CD1-CB 4.07Å; F273-Q331 HydrophobicContact CE1-CB 3.83Å; I327-Q331 PolarHBondContact O-N 3.23Å; I327-Q331 VanDerWaalsContact O-N 3.14Å; A328-Q331 PolarHBondContact O-N 3Å; Y329-Q331 PolarHBondContact O-N 3.27Å; Q331-K334 PolarHBondContact O-N 3.29Å; Q331-A335 WeakPolarHBondContact O-CB 2.86Å; Q331-A335 PolarHBondContact O-N 3.26Å
332	F	98.7	Very high	98.6	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-49.7	177.8	160.9	-100.2	0	0	0	112.6	A250 L253 F254 K257 A328 Y329 K334 A335 W336	A250-F332 HydrophobicContact CB-CB 4.35Å; L253-F332 HydrophobicContact CB-CB 4.45Å; L253-F332 HydrophobicContact CB-CD2 3.95Å; L253-F332 HydrophobicContact CB-CE2 4.43Å; L253-F332 HydrophobicContact CB-CG 4.05Å; L253-F332 HydrophobicContact CD1-CB 4.4Å; F254-F332 HydrophobicContact CB-CD2 3.95Å; F254-F332 HydrophobicContact CB-CE2 4.18Å; F254-F332 AromaticContact CD2-CD2 3.85Å; F254-F332 HydrophobicContact CD2-CD2 3.85Å; F254-F332 HydrophobicContact CD2-CE2 4.01Å; F254-F332 HydrophobicContact CG-CD2 4.26Å; F254-F332 HydrophobicContact CG-CE2 4.27Å; K257-F332 HydrophobicContact CD-CE2 4.25Å; K257-F332 HydrophobicContact CD-CZ 3.73Å; A328-F332 WeakPolarHBondContact O-CB 3.18Å; A328-F332 PolarHBondContact O-N 2.81Å; Y329-F332 HydrophobicContact CD2-CD1 4.08Å; Y329-F332 HydrophobicContact CE2-CD1 4.04Å; Y329-F332 HydrophobicContact CE2-CE1 4.16Å; Y329-F332 PolarHBondContact O-N 3.11Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.33Å; F332-A335 PolarHBondContact O-N 2.84Å; F332-W336 HydrophobicContact CE2-CB 4.46Å; F332-W336 HydrophobicContact CE2-CE3 4.09Å; F332-W336 HydrophobicContact CZ-CB 4.46Å; F332-W336 HydrophobicContact CZ-CD2 4.47Å; F332-W336 HydrophobicContact CZ-CE3 4.39Å; F332-W336 HydrophobicContact CZ-CG 4.48Å; F332-W336 VanDerWaalsContact O-CB 3.25Å; F332-W336 WeakPolarHBondContact O-CB 3.15Å; F332-W336 PolarHBondContact O-N 3.24Å
333	E	98.6	Very high	98.4	Very high	92 Å²	92	46.1 Å²	46.1	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-44.4	-179.8	-77	-103.9	124.1	0	0	111.7	Y329 W336 S337	Y329-E333 HydrophobicContact CD1-CG 3.64Å; Y329-E333 HydrophobicContact CE1-CG 3.23Å; Y329-E333 HydrophobicContact CE2-CG 4.39Å; Y329-E333 HydrophobicContact CG-CG 4.34Å; Y329-E333 VanDerWaalsContact CZ-OE1 3.27Å; Y329-E333 WeakPolarHBondContact O-CB 3Å; Y329-E333 VanDerWaalsContact O-CG 3.27Å; Y329-E333 WeakPolarHBondContact O-CG 3.42Å; Y329-E333 PolarHBondContact O-N 2.88Å; Y329-E333 PolarHBondContact OH-OE1 2.95Å; E333-W336 PolarHBondContact O-N 2.95Å; E333-S337 PolarHBondContact O-N 2.89Å
334	K	98.8	Very high	98.3	Very high	53 Å²	53	49.5 Å²	49.5	23%	0.23	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-49.3	177.3	-175.3	59.9	149.1	-171.2	0	111.3	G176 D177 L178 M209 K330 Q331 F332 W336 S337 L338	G176-K334 VanDerWaalsContact C-CE 3.42Å; G176-K334 VanDerWaalsContact O-CE 3.27Å; G176-K334 WeakPolarHBondContact O-CE 3.5Å; D177-K334 WeakPolarHBondContact O-CE 3.44Å; D177-K334 PolarHBondContact O-NZ 3.44Å; L178-K334 HydrophobicContact CB-CG 4.17Å; L178-K334 HydrophobicContact CD1-CB 4.04Å; L178-K334 HydrophobicContact CD1-CG 4.46Å; L178-K334 HydrophobicContact CD2-CB 4.41Å; M209-K334 HydrophobicContact CB-CG 4.47Å; M209-K334 HydrophobicContact CE-CB 4.27Å; M209-K334 HydrophobicContact CE-CG 4.33Å; M209-K334 HydrophobicContact SD-CB 4.04Å; M209-K334 HydrophobicContact SD-CG 3.78Å; K330-K334 PolarHBondContact O-N 3.05Å; Q331-K334 PolarHBondContact O-N 3.29Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.33Å; K334-W336 PolarHBondContact O-N 3.33Å; K334-S337 WeakPolarHBondContact O-CB 3.38Å; K334-S337 PolarHBondContact O-N 3.04Å; K334-S337 VanDerWaalsContact O-N 3.15Å; K334-L338 HydrophobicContact CD-CG 4.42Å; K334-L338 HydrophobicContact CG-CD1 4.28Å; K334-L338 HydrophobicContact CG-CG 4.47Å; K334-L338 WeakPolarHBondContact O-CG 3.41Å; K334-L338 PolarHBondContact O-N 3.05Å
335	A	98.8	Very high	98.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-39.2	176.5	0	0	0	0	0	111.2	M209 L211 M224 F254 F273 Q331 F332 L338 F339	M209-A335 HydrophobicContact SD-CB 4.01Å; L211-A335 HydrophobicContact CD1-CB 4.11Å; L211-A335 WeakPolarHBondContact CD1-O 3.23Å; M224-A335 HydrophobicContact CE-CB 4.02Å; F254-A335 HydrophobicContact CD2-CB 4.39Å; F254-A335 HydrophobicContact CE2-CB 4.19Å; F273-A335 HydrophobicContact CE1-CB 3.92Å; F273-A335 HydrophobicContact CZ-CB 3.75Å; Q331-A335 WeakPolarHBondContact O-CB 2.86Å; Q331-A335 PolarHBondContact O-N 3.26Å; F332-A335 PolarHBondContact O-N 2.84Å; A335-L338 PolarHBondContact O-N 2.87Å; A335-F339 WeakPolarHBondContact O-CB 3.14Å; A335-F339 PolarHBondContact O-N 3.12Å
336	W	98.7	Very high	98.1	Very high	56 Å²	56	46.8 Å²	46.8	21%	0.212	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-44	176.2	-171.4	-100.2	0	0	0	111.8	F254 K257 M258 F332 E333 K334 N340	F254-W336 HydrophobicContact CD1-CE3 4.49Å; F254-W336 HydrophobicContact CD1-CZ3 4.39Å; F254-W336 HydrophobicContact CD2-CE3 4.12Å; F254-W336 HydrophobicContact CE1-CE3 4.06Å; F254-W336 AromaticContact CE1-CZ3 3.94Å; F254-W336 HydrophobicContact CE1-CZ3 3.94Å; F254-W336 HydrophobicContact CE2-CB 4.36Å; F254-W336 AromaticContact CE2-CE3 3.67Å; F254-W336 HydrophobicContact CE2-CE3 3.67Å; F254-W336 HydrophobicContact CE2-CZ3 4.38Å; F254-W336 AromaticContact CZ-CE3 3.64Å; F254-W336 HydrophobicContact CZ-CE3 3.64Å; F254-W336 AromaticContact CZ-CZ3 3.94Å; F254-W336 HydrophobicContact CZ-CZ3 3.94Å; K257-W336 HydrophobicContact CB-CZ3 4.36Å; K257-W336 HydrophobicContact CD-CD2 4.06Å; K257-W336 HydrophobicContact CD-CE3 3.87Å; K257-W336 HydrophobicContact CD-CH2 3.59Å; K257-W336 HydrophobicContact CD-CZ2 3.79Å; K257-W336 HydrophobicContact CD-CZ3 3.62Å; K257-W336 VanDerWaalsContact CE-CE2 3.46Å; K257-W336 HydrophobicContact CG-CH2 3.77Å; K257-W336 HydrophobicContact CG-CZ2 4.35Å; K257-W336 HydrophobicContact CG-CZ3 3.91Å; M258-W336 HydrophobicContact CG-CZ3 4.09Å; M258-W336 HydrophobicContact SD-CH2 3.66Å; M258-W336 HydrophobicContact SD-CZ3 3.63Å; F332-W336 HydrophobicContact CE2-CB 4.46Å; F332-W336 HydrophobicContact CE2-CE3 4.09Å; F332-W336 HydrophobicContact CZ-CB 4.46Å; F332-W336 HydrophobicContact CZ-CD2 4.47Å; F332-W336 HydrophobicContact CZ-CE3 4.39Å; F332-W336 HydrophobicContact CZ-CG 4.48Å; F332-W336 VanDerWaalsContact O-CB 3.25Å; F332-W336 WeakPolarHBondContact O-CB 3.15Å; F332-W336 PolarHBondContact O-N 3.24Å; E333-W336 PolarHBondContact O-N 2.95Å; K334-W336 PolarHBondContact O-N 3.33Å; W336-N340 VanDerWaalsContact CD1-ND2 3.35Å; W336-N340 PolarHBondContact NE1-ND2 3.44Å; W336-N340 PolarHBondContact O-N 3.14Å; W336-N340 PolarHBondContact O-ND2 3.43Å
337	S	98.7	Very high	97.8	Very high	56 Å²	56	47.7 Å²	47.7	39%	0.392	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-50.1	174.2	-178.3	0	0	0	0	111.7	E333 K334 F339 N340 N341	E333-S337 PolarHBondContact O-N 2.89Å; K334-S337 WeakPolarHBondContact O-CB 3.38Å; K334-S337 PolarHBondContact O-N 3.04Å; K334-S337 VanDerWaalsContact O-N 3.15Å; S337-F339 PolarHBondContact O-N 2.86Å; S337-N340 PolarHBondContact O-N 2.91Å; S337-N341 WeakPolarHBondContact O-CB 3.14Å; S337-N341 PolarHBondContact O-N 2.7Å; S337-N341 VanDerWaalsContact O-N 3.15Å; S337-N341 PolarHBondContact O-ND2 3.15Å
338	L	98.7	Very high	97.5	Very high	12 Å²	12	49 Å²	49	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-44.2	178.5	-66.4	-179.4	0	0	0	112	A174 E175 M209 L211 K334 A335 N340 N341 A342	A174-L338 HydrophobicContact CB-CB 3.88Å; A174-L338 HydrophobicContact CB-CD2 4.22Å; A174-L338 VanDerWaalsContact CB-O 3.29Å; A174-L338 WeakPolarHBondContact CB-O 3.27Å; E175-L338 VanDerWaalsContact O-CD2 3.28Å; E175-L338 WeakPolarHBondContact O-CD2 3.25Å; M209-L338 HydrophobicContact CB-CD1 4.11Å; M209-L338 HydrophobicContact CG-CD1 3.89Å; M209-L338 WeakPolarHBondContact O-CD1 3.42Å; M209-L338 HydrophobicContact SD-CD1 4.06Å; L211-L338 HydrophobicContact CB-CB 4.18Å; L211-L338 HydrophobicContact CB-CD1 4.29Å; L211-L338 HydrophobicContact CD1-CB 4.24Å; K334-L338 HydrophobicContact CD-CG 4.42Å; K334-L338 HydrophobicContact CG-CD1 4.28Å; K334-L338 HydrophobicContact CG-CG 4.47Å; K334-L338 WeakPolarHBondContact O-CG 3.41Å; K334-L338 PolarHBondContact O-N 3.05Å; A335-L338 PolarHBondContact O-N 2.87Å; L338-N340 VanDerWaalsContact C-N 3.33Å; L338-N340 PolarHBondContact O-N 3.27Å; L338-N341 CarbonylContact O-C 3.59Å; L338-N341 PolarHBondContact O-N 3.16Å; L338-N341 VanDerWaalsContact O-N 3.15Å; L338-A342 WeakPolarHBondContact O-CB 3.37Å; L338-A342 PolarHBondContact O-N 3.13Å
339	F	98.7	Very high	97.3	Very high	5 Å²	5	52 Å²	52	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-37.9	179.3	177.3	-92.8	0	0	0	113.4	L211 K213 P221 M224 F254 M258 F269 A335 S337	L211-F339 HydrophobicContact CD1-CB 4.03Å; L211-F339 HydrophobicContact CD2-CB 4.29Å; L211-F339 HydrophobicContact CD2-CD2 4.4Å; K213-F339 HydrophobicContact CB-CD2 4.04Å; K213-F339 HydrophobicContact CB-CE2 4.27Å; K213-F339 HydrophobicContact CD-CD2 3.74Å; K213-F339 HydrophobicContact CD-CE2 3.77Å; K213-F339 HydrophobicContact CD-CG 4.2Å; K213-F339 HydrophobicContact CD-CZ 4.25Å; K213-F339 WeakPolarHBondContact CD-O 3.34Å; K213-F339 HydrophobicContact CG-CD2 3.79Å; K213-F339 HydrophobicContact CG-CE2 3.61Å; K213-F339 HydrophobicContact CG-CZ 4.4Å; K213-F339 PolarHBondContact NZ-O 2.61Å; P221-F339 HydrophobicContact CB-CE1 4.41Å; P221-F339 HydrophobicContact CB-CE2 4.2Å; P221-F339 HydrophobicContact CB-CZ 3.48Å; P221-F339 VanDerWaalsContact CB-CZ 3.48Å; P221-F339 HydrophobicContact CG-CE1 4.37Å; P221-F339 HydrophobicContact CG-CZ 3.88Å; M224-F339 HydrophobicContact CB-CD2 4.07Å; M224-F339 HydrophobicContact CB-CE2 4.27Å; M224-F339 HydrophobicContact CG-CD2 4.26Å; F254-F339 HydrophobicContact CE1-CD2 4.37Å; F254-F339 HydrophobicContact CE1-CE2 4.41Å; F254-F339 HydrophobicContact CE1-CG 4.45Å; F254-F339 HydrophobicContact CE2-CB 4.34Å; F254-F339 HydrophobicContact CZ-CB 3.85Å; F254-F339 HydrophobicContact CZ-CD1 4.01Å; F254-F339 AromaticContact CZ-CD2 3.86Å; F254-F339 HydrophobicContact CZ-CD2 3.86Å; F254-F339 HydrophobicContact CZ-CE1 4.46Å; F254-F339 HydrophobicContact CZ-CE2 4.33Å; F254-F339 AromaticContact CZ-CG 3.66Å; F254-F339 HydrophobicContact CZ-CG 3.66Å; M258-F339 HydrophobicContact CE-CE1 4.12Å; M258-F339 HydrophobicContact CE-CZ 3.85Å; M258-F339 HydrophobicContact SD-CE1 4.24Å; M258-F339 HydrophobicContact SD-CZ 4.4Å; F269-F339 AromaticContact CE2-CE2 3.89Å; F269-F339 HydrophobicContact CE2-CE2 3.89Å; F269-F339 AromaticContact CE2-CZ 3.84Å; F269-F339 HydrophobicContact CE2-CZ 3.84Å; F269-F339 AromaticContact CZ-CE2 3.67Å; F269-F339 HydrophobicContact CZ-CE2 3.67Å; F269-F339 AromaticContact CZ-CZ 3.92Å; F269-F339 HydrophobicContact CZ-CZ 3.92Å; A335-F339 WeakPolarHBondContact O-CB 3.14Å; A335-F339 PolarHBondContact O-N 3.12Å; S337-F339 PolarHBondContact O-N 2.86Å
340	N	98.3	Very high	97.2	Very high	85 Å²	85	47 Å²	47	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-74.6	-28.8	177	-70.6	-47.6	0	0	0	112.5	W336 S337 L338	W336-N340 VanDerWaalsContact CD1-ND2 3.35Å; W336-N340 PolarHBondContact NE1-ND2 3.44Å; W336-N340 PolarHBondContact O-N 3.14Å; W336-N340 PolarHBondContact O-ND2 3.43Å; S337-N340 PolarHBondContact O-N 2.91Å; L338-N340 VanDerWaalsContact C-N 3.33Å; L338-N340 PolarHBondContact O-N 3.27Å
341	N	97.5	Very high	97.1	Very high	107 Å²	107	47.4 Å²	47.4	57%	0.572	26%	0.263	S	S	*	.	H	α-helix	trans	-97.4	-0.5	-177.9	-65.6	-28.5	0	0	0	114.1	S337 L338 T343	S337-N341 WeakPolarHBondContact O-CB 3.14Å; S337-N341 PolarHBondContact O-N 2.7Å; S337-N341 VanDerWaalsContact O-N 3.15Å; S337-N341 PolarHBondContact O-ND2 3.15Å; L338-N341 CarbonylContact O-C 3.59Å; L338-N341 PolarHBondContact O-N 3.16Å; L338-N341 VanDerWaalsContact O-N 3.15Å; N341-T343 PolarHBondContact O-N 2.86Å
342	A	97.5	Very high	97.1	Very high	8 Å²	8	49.1 Å²	49.1	7%	0.066	27%	0.27	C	S	.	.			trans	-65.3	114.1	-179.2	0	0	0	0	0	111.7	L172 A174 K213 L338	L172-A342 HydrophobicContact CB-CB 4.01Å; A174-A342 HydrophobicContact CB-CB 3.79Å; K213-A342 HydrophobicContact CB-CB 4.31Å; K213-A342 HydrophobicContact CD-CB 4.07Å; L338-A342 WeakPolarHBondContact O-CB 3.37Å; L338-A342 PolarHBondContact O-N 3.13Å
343	T	94.3	Very high	97.1	Very high	119 Å²	119	48.9 Å²	48.9	73%	0.73	27%	0.27	S	S	*	.			trans	-131.3	-17.6	-175.5	48	0	0	0	0	113.4	N341 E345	N341-T343 PolarHBondContact O-N 2.86Å; T343-E345 PolarHBondContact O-N 3.41Å
344	T	96.5	Very high	97	Very high	77 Å²	77	44.8 Å²	44.8	47%	0.472	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.2	179.4	-59.8	0	0	0	0	109.1	L172 K173	L172-T344 CarbonylContact C-O 3.11Å; L172-T344 WeakPolarHBondContact CA-O 3.33Å; K173-T344 PolarHBondContact N-O 3.13Å
345	E	96.5	Very high	97	Very high	68 Å²	68	43.5 Å²	43.5	32%	0.318	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.7	177.9	-165.9	175.6	131.1	0	0	110.5	K170 L172 T343 N347	K170-E345 WeakPolarHBondContact CD-OE2 3.23Å; K170-E345 IonicContact NZ-OE1 3.39Å; K170-E345 PolarHBondContact NZ-OE1 3.09Å; K170-E345 IonicContact NZ-OE2 2.76Å; K170-E345 PolarHBondContact NZ-OE2 3.36Å; L172-E345 HydrophobicContact CD2-CB 3.98Å; L172-E345 HydrophobicContact CD2-CG 4.09Å; T343-E345 PolarHBondContact O-N 3.41Å; E345-N347 WeakPolarHBondContact CG-ND2 3.31Å; E345-N347 PolarHBondContact OE1-ND2 2.78Å; E345-N347 PolarHBondContact OE1-OD1 2.96Å
346	I	96	Very high	96.9	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.7	173.8	-55.8	-57.5	0	0	0	107.9	Y29 I171 K173 L212 I454 L457	Y29-I346 WeakPolarHBondContact CE2-O 3.35Å; I171-I346 HydrophobicContact CB-CB 4.34Å; I171-I346 HydrophobicContact CG2-CB 4.31Å; I171-I346 HydrophobicContact CG2-CG1 4.37Å; I171-I346 PolarHBondContact O-N 3.32Å; K173-I346 HydrophobicContact CB-CD1 3.75Å; K173-I346 HydrophobicContact CB-CG1 3.89Å; K173-I346 HydrophobicContact CD-CD1 3.96Å; K173-I346 HydrophobicContact CG-CD1 4.49Å; L212-I346 HydrophobicContact CD2-CG1 4.49Å; I346-I454 HydrophobicContact CG2-CB 4.06Å; I346-I454 HydrophobicContact CG2-CG2 3.71Å; I346-I454 VanDerWaalsContact CG2-O 3.31Å; I346-I454 WeakPolarHBondContact CG2-O 3.34Å; I346-L457 HydrophobicContact CG1-CD2 4.4Å; I346-L457 HydrophobicContact CG2-CB 4.21Å; I346-L457 HydrophobicContact CG2-CD2 4.47Å
347	N	92.5	Very high	96.8	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.364	24%	0.243	S	C	.	.			trans	-136.8	155.3	-177	-80	-50.2	0	0	0	110.9	Y29 E345 G455 P456	Y29-N347 VanDerWaalsContact OH-C 3.27Å; Y29-N347 VanDerWaalsContact OH-CA 3.27Å; Y29-N347 WeakPolarHBondContact OH-CA 3.29Å; E345-N347 WeakPolarHBondContact CG-ND2 3.31Å; E345-N347 PolarHBondContact OE1-ND2 2.78Å; E345-N347 PolarHBondContact OE1-OD1 2.96Å; N347-G455 WeakPolarHBondContact O-CA 3.3Å; N347-P456 WeakPolarHBondContact O-CD 3.48Å
348	G	93	Very high	96.8	Very high	28 Å²	28	43.2 Å²	43.2	29%	0.289	24%	0.242	S	C	.	.	S	Bend	trans	122.3	-176.1	-179.5	0	0	0	0	0	112.8	I26 Y29	I26-G348 WeakPolarHBondContact CD1-O 3.27Å; Y29-G348 WeakPolarHBondContact CE1-O 3.4Å; Y29-G348 PolarHBondContact OH-N 2.91Å; Y29-G348 PolarHBondContact OH-O 3.4Å
349	T	94.4	Very high	96.8	Very high	63 Å²	63	42.6 Å²	42.6	39%	0.387	24%	0.239	S	C	.	.			trans	-71.6	146.2	-173.2	53	0	0	0	0	113.1	E73 N351 G455	E73-T349 VanDerWaalsContact OE1-C 3.26Å; E73-T349 WeakPolarHBondContact OE1-CA 3.4Å; E73-T349 WeakPolarHBondContact OE1-CB 3.36Å; E73-T349 WeakPolarHBondContact OE1-CG2 3.32Å; T349-N351 PolarHBondContact OG1-ND2 2.74Å; T349-N351 VanDerWaalsContact OG1-ND2 3.09Å; T349-G455 PolarHBondContact O-N 2.9Å
350	V	97.1	Very high	96.7	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115	172	177.6	0	0	0	0	108.4	Y29 I71 E73 I80 S453	Y29-V350 HydrophobicContact CD1-CG2 3.92Å; Y29-V350 HydrophobicContact CE1-CG2 3.73Å; I71-V350 HydrophobicContact CG2-CG2 3.97Å; E73-V350 HydrophobicContact CG-CB 3.86Å; E73-V350 HydrophobicContact CG-CG2 3.83Å; E73-V350 PolarHBondContact OE1-N 3.38Å; I80-V350 HydrophobicContact CB-CG1 4.1Å; I80-V350 HydrophobicContact CD1-CG1 3.98Å; I80-V350 HydrophobicContact CG1-CG1 3.66Å; I80-V350 HydrophobicContact CG2-CG1 3.56Å; V350-S453 WeakPolarHBondContact CA-O 3.26Å
351	N	97.2	Very high	96.6	Very high	69 Å²	69	44 Å²	44	37%	0.369	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	170.1	179	-65.9	-54.5	0	0	0	110.6	T349 S453 L549	T349-N351 PolarHBondContact OG1-ND2 2.74Å; T349-N351 VanDerWaalsContact OG1-ND2 3.09Å; N351-S453 WeakPolarHBondContact CB-OG 3.19Å; N351-S453 PolarHBondContact N-O 2.77Å; N351-S453 VanDerWaalsContact N-O 3.12Å; N351-S453 PolarHBondContact N-OG 3.17Å; N351-S453 PolarHBondContact O-N 2.93Å; N351-S453 PolarHBondContact O-OG 3.33Å; N351-L549 HydrophobicContact CB-CD1 3.78Å
352	F	97.9	Very high	96.6	Very high	35 Å²	35	41.1 Å²	41.1	15%	0.154	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155.5	175.1	54.2	-97.6	0	0	0	109.9	Q78 I80 Q114 N115 I451 V452 L549	Q78-F352 HydrophobicContact CB-CE1 3.99Å; Q78-F352 HydrophobicContact CB-CZ 4.42Å; I80-F352 HydrophobicContact CG2-CB 4.22Å; I80-F352 HydrophobicContact CG2-CD1 3.92Å; Q114-F352 HydrophobicContact CB-CD2 3.45Å; Q114-F352 VanDerWaalsContact CB-CD2 3.45Å; Q114-F352 HydrophobicContact CB-CE2 3.49Å; Q114-F352 VanDerWaalsContact CB-CE2 3.49Å; Q114-F352 HydrophobicContact CG-CE2 4.47Å; Q114-F352 WeakPolarHBondContact O-CB 3.43Å; N115-F352 HydrophobicContact CB-CD1 3.44Å; N115-F352 VanDerWaalsContact CB-CD1 3.44Å; N115-F352 HydrophobicContact CB-CD2 4.14Å; N115-F352 HydrophobicContact CB-CE1 3.51Å; N115-F352 HydrophobicContact CB-CE2 4.19Å; N115-F352 HydrophobicContact CB-CG 3.77Å; N115-F352 HydrophobicContact CB-CZ 3.88Å; F352-I451 CarbonylContact C-O 3.57Å; F352-I451 VanDerWaalsContact CA-O 3.32Å; F352-I451 WeakPolarHBondContact CA-O 3.41Å; F352-V452 HydrophobicContact CB-CG1 4Å; F352-L549 VanDerWaalsContact C-CD1 3.47Å
353	I	98.5	Very high	96.6	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146.9	170.9	-162.5	169.2	0	0	0	108.9	Q450 I451 L545 A548 L549 I555	I353-Q450 WeakPolarHBondContact O-CA 3.48Å; I353-I451 HydrophobicContact CG2-CB 3.99Å; I353-I451 PolarHBondContact N-O 3.35Å; I353-I451 PolarHBondContact O-N 2.95Å; I353-L545 HydrophobicContact CD1-CD2 4.18Å; I353-L545 HydrophobicContact CG1-CD2 4.1Å; I353-L545 HydrophobicContact CG2-CB 3.85Å; I353-L545 HydrophobicContact CG2-CD2 4.31Å; I353-L545 HydrophobicContact CG2-CG 4.48Å; I353-A548 HydrophobicContact CD1-CB 3.47Å; I353-A548 VanDerWaalsContact CD1-CB 3.47Å; I353-L549 HydrophobicContact CB-CB 4.22Å; I353-L549 HydrophobicContact CB-CD1 3.89Å; I353-L549 HydrophobicContact CD1-CB 4.41Å; I353-L549 HydrophobicContact CG2-CB 3.9Å; I353-L549 HydrophobicContact CG2-CD1 4.07Å; I353-L549 HydrophobicContact CG2-CG 4.39Å; I353-I555 HydrophobicContact CD1-CD1 3.72Å; I353-I555 HydrophobicContact CD1-CG1 4.07Å; I353-I555 HydrophobicContact CD1-CG2 4.14Å; I353-I555 HydrophobicContact CG1-CD1 3.58Å; I353-I555 HydrophobicContact CG1-CG1 3.99Å
354	H	98.1	Very high	96.7	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.032	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	143	-172.6	157.8	-72.1	0	0	0	110.8	H113 Q114 F356 E448 T449 Q450	H113-H354 PolarHBondContact O-CD2 2.77Å; Q114-H354 HydrophobicContact CB-CB 3.87Å; Q114-H354 HydrophobicContact CG-CB 3.97Å; H354-F356 AromaticContact CE1-CD2 3.63Å; H354-F356 AromaticContact CE1-CE2 3.49Å; H354-F356 VanDerWaalsContact CE1-CE2 3.49Å; H354-F356 WeakPolarHBondContact CE1-CE2 3.28Å; H354-F356 AromaticContact CE1-CZ 3.86Å; H354-F356 AromaticContact NE2-CE1 3.98Å; H354-F356 AromaticContact NE2-CE2 3.86Å; H354-F356 AromaticContact NE2-CZ 3.73Å; H354-E448 VanDerWaalsContact CD2-CD 3.49Å; H354-E448 VanDerWaalsContact CD2-CG 3.45Å; H354-E448 WeakPolarHBondContact CD2-CG 3.27Å; H354-E448 IonicContact CD2-OE1 2.75Å; H354-E448 PolarHBondContact CD2-OE1 3.37Å; H354-E448 WeakPolarHBondContact NE2-CG 3.47Å; H354-E448 IonicContact NE2-OE1 2.81Å; H354-E448 PolarHBondContact NE2-OE1 3.4Å; H354-E448 IonicContact NE2-OE2 2.85Å; H354-T449 CarbonylContact C-O 3.58Å; H354-T449 VanDerWaalsContact CA-O 3.29Å; H354-T449 WeakPolarHBondContact CA-O 3.48Å; H354-Q450 HydrophobicContact CB-CB 4.38Å; H354-Q450 HydrophobicContact CB-CG 4.38Å
355	Q	97.9	Very high	96.6	Very high	26 Å²	26	42.5 Å²	42.5	12%	0.121	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	137	172.3	-169.4	170.2	51.6	0	0	111.7	I357 T449 L545 I555 S556	Q355-I357 HydrophobicContact CB-CG2 4.47Å; Q355-I357 HydrophobicContact CG-CG2 3.95Å; Q355-T449 PolarHBondContact N-O 3.35Å; Q355-T449 PolarHBondContact O-N 2.87Å; Q355-T449 PolarHBondContact O-OG1 2.69Å; Q355-L545 HydrophobicContact CB-CD2 4.15Å; Q355-I555 HydrophobicContact CB-CD1 3.94Å; Q355-S556 PolarHBondContact NE2-O 3.25Å
356	F	97.7	Very high	96.4	Very high	21 Å²	21	40.5 Å²	40.5	9%	0.092	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.3	162.9	-68.1	-66.7	0	0	0	110	H113 H354 I446 V447 E448 P557 G558 T559 A561	H113-F356 HydrophobicContact CB-CZ 4.47Å; H113-F356 AromaticContact ND1-CZ 3.75Å; H354-F356 AromaticContact CE1-CD2 3.63Å; H354-F356 AromaticContact CE1-CE2 3.49Å; H354-F356 VanDerWaalsContact CE1-CE2 3.49Å; H354-F356 WeakPolarHBondContact CE1-CE2 3.28Å; H354-F356 AromaticContact CE1-CZ 3.86Å; H354-F356 AromaticContact NE2-CE1 3.98Å; H354-F356 AromaticContact NE2-CE2 3.86Å; H354-F356 AromaticContact NE2-CZ 3.73Å; F356-I446 HydrophobicContact CB-CG2 3.91Å; F356-I446 HydrophobicContact CD1-CG2 4.32Å; F356-I446 HydrophobicContact CG-CG2 4.44Å; F356-V447 WeakPolarHBondContact CA-O 3.26Å; F356-E448 HydrophobicContact CD1-CB 3.97Å; F356-E448 HydrophobicContact CD1-CG 3.86Å; F356-E448 HydrophobicContact CE1-CB 3.82Å; F356-E448 HydrophobicContact CE1-CG 3.54Å; F356-E448 HydrophobicContact CZ-CG 4.26Å; F356-P557 PolarHBondContact N-O 3.49Å; F356-G558 WeakPolarHBondContact O-CA 3.28Å; F356-T559 WeakPolarHBondContact CB-O 3.46Å; F356-T559 WeakPolarHBondContact CG-O 3.28Å; F356-A561 HydrophobicContact CD1-CB 3.93Å; F356-A561 HydrophobicContact CE1-CB 3.59Å; F356-A561 HydrophobicContact CZ-CB 3.92Å
357	I	96.7	Very high	96.1	Very high	15 Å²	15	45.9 Å²	45.9	8%	0.077	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.5	-179.6	62.5	167.8	0	0	0	111	Q355 M359 I362 I446 V447 T449 Q541	Q355-I357 HydrophobicContact CB-CG2 4.47Å; Q355-I357 HydrophobicContact CG-CG2 3.95Å; I357-M359 HydrophobicContact CD1-CG 4.2Å; I357-M359 HydrophobicContact CD1-SD 3.44Å; I357-M359 WeakPolarHBondContact CD1-SD 3.2Å; I357-M359 HydrophobicContact CG1-CG 4.29Å; I357-M359 HydrophobicContact CG1-SD 4.17Å; I357-I362 HydrophobicContact CD1-CD1 4.07Å; I357-I446 WeakPolarHBondContact O-CA 3.47Å; I357-V447 HydrophobicContact CD1-CG2 4.02Å; I357-V447 HydrophobicContact CG1-CG2 3.53Å; I357-V447 PolarHBondContact N-O 3.31Å; I357-V447 PolarHBondContact O-N 3.44Å; I357-T449 HydrophobicContact CD1-CG2 3.93Å; I357-T449 HydrophobicContact CG1-CG2 4.21Å; I357-Q541 HydrophobicContact CD1-CB 4.31Å; I357-Q541 HydrophobicContact CD1-CG 3.92Å; I357-Q541 HydrophobicContact CG2-CG 4.47Å
358	D	97.5	Very high	96.1	Very high	69 Å²	69	50.4 Å²	50.4	37%	0.369	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	110.3	169.2	-172	-19.2	0	0	0	109.3	T360 I362 I446	D358-T360 VanDerWaalsContact C-N 3.26Å; D358-T360 PolarHBondContact O-N 2.65Å; D358-T360 VanDerWaalsContact OD1-CB 3.3Å; D358-T360 WeakPolarHBondContact OD1-CB 3.34Å; D358-T360 VanDerWaalsContact OD1-CG2 3.31Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.11Å; D358-T360 PolarHBondContact OD1-N 3.46Å; D358-T360 PolarHBondContact OD1-OG1 2.81Å; D358-I362 WeakPolarHBondContact O-CD1 3.5Å; D358-I362 WeakPolarHBondContact O-CG1 3.37Å; D358-I446 HydrophobicContact CB-CD1 3.51Å
359	M	98	Very high	96	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0	-177.6	-73.2	-69.6	-68.6	0	0	113.3	I357 I362 T373 S445 V447 Y530 T534 A537 Y538	I357-M359 HydrophobicContact CD1-CG 4.2Å; I357-M359 HydrophobicContact CD1-SD 3.44Å; I357-M359 WeakPolarHBondContact CD1-SD 3.2Å; I357-M359 HydrophobicContact CG1-CG 4.29Å; I357-M359 HydrophobicContact CG1-SD 4.17Å; M359-I362 HydrophobicContact SD-CD1 3.6Å; M359-T373 WeakPolarHBondContact O-CB 3.5Å; M359-T373 PolarHBondContact O-OG1 2.92Å; M359-S445 PolarHBondContact N-O 3.34Å; M359-V447 HydrophobicContact CG-CB 4.35Å; M359-V447 HydrophobicContact CG-CG1 4.08Å; M359-V447 HydrophobicContact CG-CG2 3.36Å; M359-V447 HydrophobicContact SD-CG2 4.13Å; M359-Y530 HydrophobicContact CB-CD1 3.63Å; M359-Y530 HydrophobicContact CB-CD2 3.77Å; M359-Y530 HydrophobicContact CB-CE1 3.62Å; M359-Y530 HydrophobicContact CB-CE2 3.75Å; M359-Y530 HydrophobicContact CB-CG 3.7Å; M359-Y530 HydrophobicContact CE-CD2 3.62Å; M359-Y530 HydrophobicContact CE-CE2 4.16Å; M359-Y530 HydrophobicContact CE-CG 4.21Å; M359-Y530 HydrophobicContact CG-CD2 4.14Å; M359-Y530 HydrophobicContact CG-CE2 3.91Å; M359-T534 HydrophobicContact CE-CG2 4.17Å; M359-A537 HydrophobicContact CE-CB 4.03Å; M359-A537 HydrophobicContact SD-CB 4.42Å; M359-Y538 HydrophobicContact CE-CD1 4.49Å; M359-Y538 HydrophobicContact CE-CD2 4.03Å; M359-Y538 HydrophobicContact CE-CE1 4.07Å; M359-Y538 HydrophobicContact CE-CE2 3.58Å; M359-Y538 HydrophobicContact CE-CG 4.46Å; M359-Y538 HydrophobicContact SD-CE1 4.09Å
360	T	97	Very high	96	Very high	27 Å²	27	53.8 Å²	53.8	17%	0.166	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.4	-169.8	62.9	0	0	0	0	114.9	D358 T373 C374 E375	D358-T360 VanDerWaalsContact C-N 3.26Å; D358-T360 PolarHBondContact O-N 2.65Å; D358-T360 VanDerWaalsContact OD1-CB 3.3Å; D358-T360 WeakPolarHBondContact OD1-CB 3.34Å; D358-T360 VanDerWaalsContact OD1-CG2 3.31Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.11Å; D358-T360 PolarHBondContact OD1-N 3.46Å; D358-T360 PolarHBondContact OD1-OG1 2.81Å; T360-T373 VanDerWaalsContact O-O 3.05Å; T360-C374 CarbonylContact O-C 3.54Å; T360-E375 HydrophobicContact CG2-CG 4.36Å
361	N	96.5	Very high	95.9	Very high	93 Å²	93	55 Å²	55	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-156.9	41.7	-175.1	-165.4	37.5	0	0	0	114.3	S363 T373	N361-S363 PolarHBondContact O-N 3.45Å; N361-T373 PolarHBondContact N-OG1 2.88Å
362	I	97.2	Very high	95.9	Very high	46 Å²	46	55 Å²	55	24%	0.236	30%	0.299	C	S	.	.			trans	-79	109.8	177.7	-58.5	178.6	0	0	0	108.7	I357 D358 M359 L364 H372 T373 A537	I357-I362 HydrophobicContact CD1-CD1 4.07Å; D358-I362 WeakPolarHBondContact O-CD1 3.5Å; D358-I362 WeakPolarHBondContact O-CG1 3.37Å; M359-I362 HydrophobicContact SD-CD1 3.6Å; I362-L364 HydrophobicContact CG2-CD2 4.25Å; I362-H372 CarbonylContact O-C 3.45Å; I362-H372 WeakPolarHBondContact O-CA 3.46Å; I362-T373 HydrophobicContact CB-CG2 4.24Å; I362-T373 PolarHBondContact N-OG1 2.8Å; I362-T373 PolarHBondContact O-N 3.34Å; I362-A537 HydrophobicContact CB-CB 4.48Å; I362-A537 HydrophobicContact CD1-CB 4.25Å; I362-A537 HydrophobicContact CG2-CB 4.36Å
363	S	97.2	Very high	95.9	Very high	93 Å²	93	53.3 Å²	53.3	65%	0.65	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.6	175.6	-62.6	0	0	0	0	111.1	N361 G371	N361-S363 PolarHBondContact O-N 3.45Å; S363-G371 WeakPolarHBondContact CA-O 3.33Å
364	L	96.6	Very high	95.9	Very high	13 Å²	13	53 Å²	53	7%	0.068	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.1	-177.2	64.4	95.4	0	0	0	113	I362 G371 L533 P536 A537	I362-L364 HydrophobicContact CG2-CD2 4.25Å; L364-G371 PolarHBondContact N-O 2.75Å; L364-G371 PolarHBondContact O-N 2.91Å; L364-G371 VanDerWaalsContact O-N 3.15Å; L364-L533 HydrophobicContact CD1-CD1 4.43Å; L364-P536 HydrophobicContact CD1-CB 3.43Å; L364-P536 VanDerWaalsContact CD1-CB 3.43Å; L364-P536 HydrophobicContact CD2-CB 4.14Å; L364-P536 HydrophobicContact CG-CB 4.47Å; L364-A537 VanDerWaalsContact CD2-CA 3.48Å; L364-A537 HydrophobicContact CD2-CB 3.65Å
365	N	94.5	Very high	95.9	Very high	127 Å²	127	55.8 Å²	55.8	68%	0.679	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.8	164.7	-63	-47.7	0	0	0	108	Y369 S370	N365-Y369 WeakPolarHBondContact CA-O 3.26Å; N365-S370 WeakPolarHBondContact OD1-CB 3.43Å
366	Y	92.1	Very high	96	Very high	26 Å²	26	54.5 Å²	54.5	10%	0.102	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	112.6	-178.6	-179.9	-96.5	0	0	0	110.4	N368 Y369 P536 V539	Y366-N368 PolarHBondContact O-N 3.41Å; Y366-N368 VanDerWaalsContact O-N 3.13Å; Y366-Y369 PolarHBondContact N-O 2.57Å; Y366-Y369 WeakPolarHBondContact O-CB 3.16Å; Y366-Y369 PolarHBondContact O-N 3.49Å; Y366-P536 HydrophobicContact CD1-CB 3.9Å; Y366-P536 HydrophobicContact CD1-CG 3.56Å; Y366-P536 HydrophobicContact CD2-CB 4.19Å; Y366-P536 HydrophobicContact CE1-CG 4.12Å; Y366-P536 HydrophobicContact CG-CB 3.64Å; Y366-P536 HydrophobicContact CG-CG 3.88Å; Y366-V539 HydrophobicContact CE2-CB 4.15Å; Y366-V539 HydrophobicContact CE2-CG1 3.81Å; Y366-V539 HydrophobicContact CE2-CG2 4.41Å
367	K	91.1	Very high	96	Very high	120 Å²	120	53.5 Å²	53.5	52%	0.522	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-118.2	-172	-56.4	-179.4	-179.2	-179	0	109.8	E197	E197-K367 IonicContact OE1-NZ 3.49Å; E197-K367 PolarHBondContact OE1-NZ 2.81Å
368	N	91.1	Very high	96	Very high	164 Å²	164	53 Å²	53	88%	0.877	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	5.9	178.7	-62.5	-28.6	0	0	0	113.8	Y366	Y366-N368 PolarHBondContact O-N 3.41Å; Y366-N368 VanDerWaalsContact O-N 3.13Å
369	Y	91.7	Very high	96	Very high	71 Å²	71	49.7 Å²	49.7	28%	0.278	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.9	-178.2	-58.4	-88.7	0	0	0	110.6	N365 Y366 P515 L533	N365-Y369 WeakPolarHBondContact CA-O 3.26Å; Y366-Y369 PolarHBondContact N-O 2.57Å; Y366-Y369 WeakPolarHBondContact O-CB 3.16Å; Y366-Y369 PolarHBondContact O-N 3.49Å; Y369-P515 HydrophobicContact CD1-CB 4.14Å; Y369-P515 HydrophobicContact CD2-CB 4.17Å; Y369-P515 HydrophobicContact CD2-CG 4.33Å; Y369-P515 HydrophobicContact CE1-CB 3.72Å; Y369-P515 HydrophobicContact CE2-CB 3.76Å; Y369-P515 HydrophobicContact CE2-CG 4.23Å; Y369-P515 HydrophobicContact CG-CB 4.36Å; Y369-L533 HydrophobicContact CG-CD2 4.37Å
370	S	93.2	Very high	96	Very high	90 Å²	90	50 Å²	50	63%	0.629	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	137	174.8	61.9	0	0	0	0	109.7	N365	N365-S370 WeakPolarHBondContact OD1-CB 3.43Å
371	G	95.6	Very high	96	Very high	35 Å²	35	48.7 Å²	48.7	36%	0.361	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-148.3	177.3	0	0	0	0	0	111.7	S363 L364	S363-G371 WeakPolarHBondContact CA-O 3.33Å; L364-G371 PolarHBondContact N-O 2.75Å; L364-G371 PolarHBondContact O-N 2.91Å; L364-G371 VanDerWaalsContact O-N 3.15Å
372	H	97.7	Very high	96	Very high	69 Å²	69	47 Å²	47	32%	0.319	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158.3	174.1	59.5	76.1	0	0	0	111.3	I362 C423	I362-H372 CarbonylContact O-C 3.45Å; I362-H372 WeakPolarHBondContact O-CA 3.46Å; H372-C423 VanDerWaalsContact CE1-SG 3.58Å
373	T	98.5	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.			trans	-65.6	165.6	167.3	55.6	0	0	0	0	111.4	M359 T360 N361 I362 L533 A537	M359-T373 WeakPolarHBondContact O-CB 3.5Å; M359-T373 PolarHBondContact O-OG1 2.92Å; T360-T373 VanDerWaalsContact O-O 3.05Å; N361-T373 PolarHBondContact N-OG1 2.88Å; I362-T373 HydrophobicContact CB-CG2 4.24Å; I362-T373 PolarHBondContact N-OG1 2.8Å; I362-T373 PolarHBondContact O-N 3.34Å; T373-L533 HydrophobicContact CG2-CB 4.37Å; T373-A537 HydrophobicContact CG2-CB 3.56Å
374	C	98.4	Very high	95.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	22%	0.221	C	C	.	.			trans	-113	160.3	-173.4	-49.9	0	0	0	0	112	T360 C423 Q424 Y530	T360-C374 CarbonylContact O-C 3.54Å; C374-C423 WeakPolarHBondContact CA-SG 3.2Å; C374-C423 HydrophobicContact CB-CB 3.91Å; C374-C423 WeakPolarHBondContact CB-SG 3.39Å; C374-C423 WeakPolarHBondContact SG-CB 3.48Å; C374-C423 PolarHBondContact SG-O 3.28Å; C374-C423 CovalentContact SG-SG 2.04Å; C374-C423 PolarHBondContact SG-SG 2.73Å; C374-Q424 HydrophobicContact CB-CG 4.26Å; C374-Y530 PolarHBondContact N-O 3.38Å
375	E	98.3	Very high	95.8	Very high	64 Å²	64	41.3 Å²	41.3	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	-56.3	146.2	159.2	-69.4	173.5	-159.1	0	0	110.3	T360 L420 Q424 E435	T360-E375 HydrophobicContact CG2-CG 4.36Å; E375-L420 HydrophobicContact CB-CD1 4Å; E375-L420 WeakPolarHBondContact O-CD1 3.46Å; E375-Q424 PolarHBondContact O-NE2 2.91Å; E375-E435 WeakPolarHBondContact OE2-CG 3.36Å
376	P	98.4	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.			trans	-63.2	139.5	-171.6	22.4	-31.5	0	0	0	112.3	T433 G434 Q443 I529 Y530	P376-T433 VanDerWaalsContact C-OG1 3.23Å; P376-T433 PolarHBondContact O-N 3.21Å; P376-T433 PolarHBondContact O-OG1 2.8Å; P376-G434 PolarHBondContact O-N 2.59Å; P376-Q443 HydrophobicContact CB-CB 4.08Å; P376-Q443 HydrophobicContact CG-CB 4.2Å; P376-I529 VanDerWaalsContact CA-O 3.29Å; P376-I529 WeakPolarHBondContact CA-O 3.48Å; P376-I529 HydrophobicContact CB-CB 3.97Å; P376-I529 HydrophobicContact CB-CD1 3.94Å; P376-I529 HydrophobicContact CB-CG1 4.11Å; P376-Y530 HydrophobicContact CB-CD1 4.34Å; P376-Y530 HydrophobicContact CB-CE1 4.12Å; P376-Y530 HydrophobicContact CG-CE1 4.42Å
377	A	98.4	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.			trans	-154.5	143.6	173.5	0	0	0	0	0	112.1	L420 Q424 K427 I429 V431 I529	A377-L420 HydrophobicContact CB-CD2 4.33Å; A377-Q424 HydrophobicContact CB-CG 4.11Å; A377-K427 PolarHBondContact O-NZ 3.46Å; A377-I429 HydrophobicContact CB-CD1 4.29Å; A377-I429 HydrophobicContact CB-CG1 4.2Å; A377-I429 HydrophobicContact CB-CG2 4.08Å; A377-V431 WeakPolarHBondContact CA-O 3.27Å; A377-I529 PolarHBondContact N-O 3.11Å
378	M	97.7	Very high	96.6	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.4	173.8	-66.9	-63.3	-137.9	0	0	111	L135 F382 L430 V431 I529	L135-M378 HydrophobicContact CD2-CE 3.65Å; L135-M378 HydrophobicContact CD2-CG 3.98Å; M378-F382 HydrophobicContact CB-CB 4.15Å; M378-F382 HydrophobicContact CB-CD1 4.07Å; M378-F382 HydrophobicContact CB-CG 4.1Å; M378-F382 HydrophobicContact CE-CD2 3.42Å; M378-F382 VanDerWaalsContact CE-CD2 3.42Å; M378-F382 HydrophobicContact CE-CE2 3.36Å; M378-F382 HydrophobicContact CE-CG 4.07Å; M378-F382 HydrophobicContact CE-CZ 3.95Å; M378-F382 HydrophobicContact CG-CD1 4.29Å; M378-F382 HydrophobicContact CG-CG 4.24Å; M378-F382 HydrophobicContact SD-CB 4.45Å; M378-F382 HydrophobicContact SD-CD2 3.97Å; M378-F382 HydrophobicContact SD-CE2 4.45Å; M378-F382 HydrophobicContact SD-CG 4.12Å; M378-L430 PolarHBondContact O-N 3.05Å; M378-V431 HydrophobicContact CB-CB 4.25Å; M378-V431 PolarHBondContact N-O 2.92Å; M378-V431 PolarHBondContact O-N 2.8Å; M378-V431 VanDerWaalsContact O-N 3.16Å; M378-I529 HydrophobicContact SD-CG2 3.76Å
379	G	97.4	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	170.7	178	0	0	0	0	0	113.4	S381 F382 K427 P428 A526	G379-S381 VanDerWaalsContact C-N 3.29Å; G379-S381 PolarHBondContact O-N 3.12Å; G379-F382 VanDerWaalsContact O-CB 3.22Å; G379-F382 WeakPolarHBondContact O-CB 3.38Å; G379-F382 PolarHBondContact O-N 3.11Å; G379-F382 VanDerWaalsContact O-N 3.11Å; G379-K427 VanDerWaalsContact CA-CG 3.48Å; G379-P428 CarbonylContact C-O 3.6Å; G379-P428 WeakPolarHBondContact CA-O 3.41Å; G379-A526 PolarHBondContact N-O 3.36Å
380	F	96.6	Very high	96.9	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.022	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-56.8	-42.3	176	-86.1	-135.7	0	0	0	112.6	F382 A383 F395 T399 G402 S403 W406 P428 I429 L430	F380-F382 PolarHBondContact O-N 2.94Å; F380-F382 VanDerWaalsContact O-N 3.12Å; F380-A383 PolarHBondContact O-N 3.39Å; F380-F395 HydrophobicContact CB-CD1 4.06Å; F380-F395 HydrophobicContact CB-CE1 4.1Å; F380-F395 HydrophobicContact CD1-CD1 4.08Å; F380-F395 AromaticContact CD1-CE1 3.66Å; F380-F395 HydrophobicContact CD1-CE1 3.66Å; F380-F395 HydrophobicContact CE1-CE1 4.22Å; F380-F395 HydrophobicContact CG-CD1 4.34Å; F380-F395 AromaticContact CG-CE1 3.95Å; F380-F395 HydrophobicContact CG-CE1 3.95Å; F380-F395 VanDerWaalsContact O-CD1 3.29Å; F380-F395 WeakPolarHBondContact O-CD1 3.46Å; F380-T399 HydrophobicContact CB-CG2 4.08Å; F380-T399 HydrophobicContact CD1-CG2 4.37Å; F380-G402 VanDerWaalsContact CE1-CA 3.48Å; F380-S403 VanDerWaalsContact CE1-N 3.28Å; F380-W406 HydrophobicContact CD1-CB 4.43Å; F380-W406 HydrophobicContact CE1-CB 3.41Å; F380-W406 VanDerWaalsContact CE1-CB 3.41Å; F380-W406 HydrophobicContact CE1-CG 4.09Å; F380-W406 HydrophobicContact CZ-CB 3.48Å; F380-W406 VanDerWaalsContact CZ-CB 3.48Å; F380-P428 HydrophobicContact CB-CG 4.05Å; F380-P428 HydrophobicContact CD2-CB 3.92Å; F380-P428 HydrophobicContact CD2-CG 4.18Å; F380-P428 WeakPolarHBondContact CD2-O 3.15Å; F380-P428 HydrophobicContact CE2-CB 4.3Å; F380-P428 HydrophobicContact CG-CB 4.3Å; F380-P428 HydrophobicContact CG-CG 4.15Å; F380-P428 PolarHBondContact N-O 2.64Å; F380-I429 WeakPolarHBondContact CE2-O 3.43Å; F380-L430 HydrophobicContact CD2-CB 3.76Å; F380-L430 HydrophobicContact CD2-CD1 4.26Å; F380-L430 HydrophobicContact CE2-CB 4.22Å; F380-L430 HydrophobicContact CE2-CD1 4.18Å
381	S	97.4	Very high	96.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-70.5	-4.6	-179.2	-62.9	0	0	0	0	114.3	G379 A383 A384 I396 Q397 G398 T399 Q521 Y523	G379-S381 VanDerWaalsContact C-N 3.29Å; G379-S381 PolarHBondContact O-N 3.12Å; S381-A383 VanDerWaalsContact C-N 3.32Å; S381-A384 WeakPolarHBondContact O-CB 3.41Å; S381-A384 PolarHBondContact O-N 2.77Å; S381-I396 PolarHBondContact OG-O 2.76Å; S381-Q397 WeakPolarHBondContact OG-CA 3.34Å; S381-G398 PolarHBondContact OG-N 2.72Å; S381-T399 PolarHBondContact OG-N 2.88Å; S381-T399 VanDerWaalsContact OG-N 3.17Å; S381-Q521 WeakPolarHBondContact CB-O 3.21Å; S381-Q521 PolarHBondContact OG-O 2.68Å; S381-Y523 WeakPolarHBondContact O-CD2 3.36Å
382	F	96.2	Very high	96.1	Very high	58 Å²	58	19.6 Å²	19.6	25%	0.254	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-60.9	-42.9	163.8	164.1	-106.9	0	0	0	110.7	M378 G379 F380 A384 G385 Y523	M378-F382 HydrophobicContact CB-CB 4.15Å; M378-F382 HydrophobicContact CB-CD1 4.07Å; M378-F382 HydrophobicContact CB-CG 4.1Å; M378-F382 HydrophobicContact CE-CD2 3.42Å; M378-F382 VanDerWaalsContact CE-CD2 3.42Å; M378-F382 HydrophobicContact CE-CE2 3.36Å; M378-F382 HydrophobicContact CE-CG 4.07Å; M378-F382 HydrophobicContact CE-CZ 3.95Å; M378-F382 HydrophobicContact CG-CD1 4.29Å; M378-F382 HydrophobicContact CG-CG 4.24Å; M378-F382 HydrophobicContact SD-CB 4.45Å; M378-F382 HydrophobicContact SD-CD2 3.97Å; M378-F382 HydrophobicContact SD-CE2 4.45Å; M378-F382 HydrophobicContact SD-CG 4.12Å; G379-F382 VanDerWaalsContact O-CB 3.22Å; G379-F382 WeakPolarHBondContact O-CB 3.38Å; G379-F382 PolarHBondContact O-N 3.11Å; G379-F382 VanDerWaalsContact O-N 3.11Å; F380-F382 PolarHBondContact O-N 2.94Å; F380-F382 VanDerWaalsContact O-N 3.12Å; F382-A384 PolarHBondContact O-N 2.71Å; F382-G385 PolarHBondContact O-N 3.38Å; F382-Y523 HydrophobicContact CD2-CE2 4.03Å; F382-Y523 VanDerWaalsContact O-CE2 3.25Å; F382-Y523 WeakPolarHBondContact O-CE2 3.13Å
383	A	94.9	Very high	95.6	Very high	23 Å²	23	21.9 Å²	21.9	19%	0.19	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.5	179.6	0	0	0	0	0	113.6	F380 S381 G385 G391 D392 F395 L430	F380-A383 PolarHBondContact O-N 3.39Å; S381-A383 VanDerWaalsContact C-N 3.32Å; A383-G385 VanDerWaalsContact C-N 3.32Å; A383-G391 WeakPolarHBondContact O-CA 3.2Å; A383-D392 PolarHBondContact O-N 2.81Å; A383-F395 HydrophobicContact CB-CB 4.23Å; A383-F395 HydrophobicContact CB-CD1 4.05Å; A383-F395 HydrophobicContact CB-CD2 3.39Å; A383-F395 HydrophobicContact CB-CE1 4.22Å; A383-F395 HydrophobicContact CB-CE2 3.59Å; A383-F395 HydrophobicContact CB-CG 3.63Å; A383-F395 HydrophobicContact CB-CZ 3.99Å; A383-L430 HydrophobicContact CB-CD2 3.58Å
384	A	96.5	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.2	175.8	0	0	0	0	0	113.1	T308 S381 F382 G391 F395 I396 Q397	T308-A384 HydrophobicContact CG2-CB 4.24Å; S381-A384 WeakPolarHBondContact O-CB 3.41Å; S381-A384 PolarHBondContact O-N 2.77Å; F382-A384 PolarHBondContact O-N 2.71Å; A384-G391 PolarHBondContact O-N 3.1Å; A384-F395 HydrophobicContact CB-CB 3.99Å; A384-I396 VanDerWaalsContact CB-C 3.42Å; A384-Q397 HydrophobicContact CB-CG 3.93Å
385	G	96.6	Very high	94.8	Very high	9 Å²	9	26 Å²	26	9%	0.093	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	60.2	-160.4	-171.1	0	0	0	0	0	112.8	F382 A383 G389 Q397	F382-G385 PolarHBondContact O-N 3.38Å; A383-G385 VanDerWaalsContact C-N 3.32Å; G385-G389 WeakPolarHBondContact CA-O 3.17Å; G385-Q397 PolarHBondContact O-NE2 3.38Å; G385-Q397 VanDerWaalsContact O-NE2 3.16Å
386	T	97.9	Very high	94.6	Very high	14 Å²	14	25 Å²	25	9%	0.086	14%	0.139	C	C	.	.			trans	-121.7	178.7	179.1	72.1	0	0	0	0	110.9	D388 G389 P390 Y523	T386-D388 PolarHBondContact O-N 3.02Å; T386-D388 PolarHBondContact OG1-N 3.5Å; T386-D388 VanDerWaalsContact OG1-N 3.14Å; T386-G389 PolarHBondContact N-O 3.49Å; T386-G389 CarbonylContact O-C 3.54Å; T386-G389 PolarHBondContact O-N 3.16Å; T386-G389 PolarHBondContact OG1-N 3.01Å; T386-P390 VanDerWaalsContact O-CA 3.26Å; T386-P390 WeakPolarHBondContact O-CA 3.33Å; T386-Y523 HydrophobicContact CG2-CD1 3.28Å; T386-Y523 HydrophobicContact CG2-CD2 4.22Å; T386-Y523 HydrophobicContact CG2-CE1 3.81Å; T386-Y523 HydrophobicContact CG2-CG 3.52Å
387	T	97.6	Very high	94.5	Very high	3 Å²	3	25 Å²	25	2%	0.018	14%	0.14	C	C	.	.	S	Bend	trans	-68.1	-17	171.2	54.9	0	0	0	0	112.9	P288 A313	P288-T387 HydrophobicContact CB-CG2 3.64Å; P288-T387 HydrophobicContact CG-CG2 4.32Å; A313-T387 PolarHBondContact N-O 3.15Å
388	D	97.6	Very high	94.4	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	15%	0.145	C	C	.	.	S	Bend	trans	-82.8	-22.8	176.1	-57.1	-42.7	0	0	0	112.2	Y50 R185 V233 S282 N284 T386	Y50-D388 WeakPolarHBondContact CE1-O 3.48Å; R185-D388 VanDerWaalsContact CD-OD2 3.23Å; R185-D388 WeakPolarHBondContact CD-OD2 3.31Å; R185-D388 IonicContact NH1-OD2 2.73Å; R185-D388 PolarHBondContact NH1-OD2 3.3Å; V233-D388 HydrophobicContact CB-CB 4.37Å; V233-D388 HydrophobicContact CG2-CB 3.81Å; S282-D388 VanDerWaalsContact CB-OD1 3.31Å; S282-D388 WeakPolarHBondContact CB-OD1 3.44Å; S282-D388 WeakPolarHBondContact CB-OD2 3.46Å; S282-D388 VanDerWaalsContact OG-CG 3.31Å; S282-D388 PolarHBondContact OG-OD1 3.27Å; S282-D388 PolarHBondContact OG-OD2 3.42Å; N284-D388 PolarHBondContact ND2-OD1 2.02Å; T386-D388 PolarHBondContact O-N 3.02Å; T386-D388 PolarHBondContact OG1-N 3.5Å; T386-D388 VanDerWaalsContact OG1-N 3.14Å
389	G	95.8	Very high	94.2	Very high	10 Å²	10	26.6 Å²	26.6	10%	0.103	15%	0.152	C	C	.	.	S	Bend	trans	-162.3	90.8	179.2	0	0	0	0	0	108.8	G385 T386	G385-G389 WeakPolarHBondContact CA-O 3.17Å; T386-G389 PolarHBondContact N-O 3.49Å; T386-G389 CarbonylContact O-C 3.54Å; T386-G389 PolarHBondContact O-N 3.16Å; T386-G389 PolarHBondContact OG1-N 3.01Å
390	P	93.4	Very high	93.8	Very high	23 Å²	23	29.8 Å²	29.8	15%	0.149	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-66	145	-179.1	27.2	-34.7	0	0	0	110.2	F237 T308 I312 T386	F237-P390 HydrophobicContact CE1-CG 4.14Å; T308-P390 WeakPolarHBondContact O-CB 3.33Å; I312-P390 HydrophobicContact CG1-CG 4.27Å; T386-P390 VanDerWaalsContact O-CA 3.26Å; T386-P390 WeakPolarHBondContact O-CA 3.33Å
391	G	89.7	Confident	93.2	Very high	23 Å²	23	39.7 Å²	39.7	24%	0.237	21%	0.209	C	C	.	.			trans	-77	-161.5	174.4	0	0	0	0	0	112.6	A383 A384	A383-G391 WeakPolarHBondContact O-CA 3.2Å; A384-G391 PolarHBondContact O-N 3.1Å
392	D	82.4	Confident	92.1	Very high	100 Å²	100	41.1 Å²	41.1	54%	0.535	22%	0.223	S	C	.	.	S	Bend	trans	-119.9	174.9	-174.9	-150	-14.7	0	0	0	111.9	A383	A383-D392 PolarHBondContact O-N 2.81Å
393	F	87	Confident	91.4	Very high	116 Å²	116	40.4 Å²	40.4	51%	0.509	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-146.4	-179.8	-50.1	-79.1	0	0	0	114.8	R307 Q309 F395 W406	R307-F393 PolarHBondContact NH1-O 3.45Å; Q309-F393 PolarHBondContact NE2-O 3.36Å; F393-F395 HydrophobicContact CB-CD2 4.02Å; F393-F395 HydrophobicContact CB-CE2 4.28Å; F393-F395 HydrophobicContact CD2-CD2 4.42Å; F393-F395 HydrophobicContact CD2-CE2 4.26Å; F393-W406 HydrophobicContact CB-CH2 4.27Å; F393-W406 HydrophobicContact CB-CZ2 3.66Å; F393-W406 HydrophobicContact CD1-CH2 4.06Å; F393-W406 HydrophobicContact CD1-CZ2 4.11Å; F393-W406 AromaticContact CD2-CH2 3.89Å; F393-W406 HydrophobicContact CD2-CH2 3.89Å; F393-W406 HydrophobicContact CD2-CZ2 4.14Å; F393-W406 HydrophobicContact CE1-CH2 4.38Å; F393-W406 HydrophobicContact CE2-CH2 4.22Å; F393-W406 AromaticContact CG-CH2 3.81Å; F393-W406 HydrophobicContact CG-CH2 3.81Å; F393-W406 AromaticContact CG-CZ2 3.72Å; F393-W406 HydrophobicContact CG-CZ2 3.72Å; F393-W406 HydrophobicContact CZ-CH2 4.45Å
394	D	88.4	Confident	90.7	Very high	79 Å²	79	45.9 Å²	45.9	42%	0.422	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.9	-179.3	64.6	-27.9	0	0	0	112.9	R307 W406	R307-D394 VanDerWaalsContact NH1-CA 3.28Å; D394-W406 PolarHBondContact OD1-NE1 3.28Å
395	F	92.5	Very high	90	Very high	9 Å²	9	52 Å²	52	4%	0.039	28%	0.278	C	S	.	.			trans	-69.5	133.9	176	-66.6	-77.7	0	0	0	111.2	T308 F380 A383 A384 F393 W406 L430	T308-F395 VanDerWaalsContact CG2-O 3.25Å; T308-F395 WeakPolarHBondContact CG2-O 3.15Å; T308-F395 PolarHBondContact OG1-O 3.25Å; F380-F395 HydrophobicContact CB-CD1 4.06Å; F380-F395 HydrophobicContact CB-CE1 4.1Å; F380-F395 HydrophobicContact CD1-CD1 4.08Å; F380-F395 AromaticContact CD1-CE1 3.66Å; F380-F395 HydrophobicContact CD1-CE1 3.66Å; F380-F395 HydrophobicContact CE1-CE1 4.22Å; F380-F395 HydrophobicContact CG-CD1 4.34Å; F380-F395 AromaticContact CG-CE1 3.95Å; F380-F395 HydrophobicContact CG-CE1 3.95Å; F380-F395 VanDerWaalsContact O-CD1 3.29Å; F380-F395 WeakPolarHBondContact O-CD1 3.46Å; A383-F395 HydrophobicContact CB-CB 4.23Å; A383-F395 HydrophobicContact CB-CD1 4.05Å; A383-F395 HydrophobicContact CB-CD2 3.39Å; A383-F395 HydrophobicContact CB-CE1 4.22Å; A383-F395 HydrophobicContact CB-CE2 3.59Å; A383-F395 HydrophobicContact CB-CG 3.63Å; A383-F395 HydrophobicContact CB-CZ 3.99Å; A384-F395 HydrophobicContact CB-CB 3.99Å; F393-F395 HydrophobicContact CB-CD2 4.02Å; F393-F395 HydrophobicContact CB-CE2 4.28Å; F393-F395 HydrophobicContact CD2-CD2 4.42Å; F393-F395 HydrophobicContact CD2-CE2 4.26Å; F395-W406 HydrophobicContact CD2-CZ2 4.24Å; F395-W406 AromaticContact CE1-CD1 3.77Å; F395-W406 HydrophobicContact CE1-CD2 4.07Å; F395-W406 AromaticContact CE1-CG 3.91Å; F395-W406 HydrophobicContact CE1-CG 3.91Å; F395-W406 AromaticContact CE1-NE1 3.95Å; F395-W406 AromaticContact CE2-CD2 3.83Å; F395-W406 HydrophobicContact CE2-CD2 3.83Å; F395-W406 AromaticContact CE2-CE2 3.4Å; F395-W406 HydrophobicContact CE2-CE3 4.15Å; F395-W406 HydrophobicContact CE2-CG 4.49Å; F395-W406 AromaticContact CE2-CH2 3.74Å; F395-W406 HydrophobicContact CE2-CH2 3.74Å; F395-W406 AromaticContact CE2-CZ2 3.39Å; F395-W406 HydrophobicContact CE2-CZ2 3.39Å; F395-W406 HydrophobicContact CE2-CZ3 4.1Å; F395-W406 AromaticContact CE2-NE1 3.81Å; F395-W406 HydrophobicContact CZ-CB 4.45Å; F395-W406 AromaticContact CZ-CD1 3.71Å; F395-W406 AromaticContact CZ-CD2 3.28Å; F395-W406 HydrophobicContact CZ-CD2 3.28Å; F395-W406 AromaticContact CZ-CE2 3.31Å; F395-W406 AromaticContact CZ-CE3 3.68Å; F395-W406 HydrophobicContact CZ-CE3 3.68Å; F395-W406 AromaticContact CZ-CG 3.61Å; F395-W406 HydrophobicContact CZ-CG 3.61Å; F395-W406 HydrophobicContact CZ-CH2 4.14Å; F395-W406 AromaticContact CZ-CZ2 3.79Å; F395-W406 HydrophobicContact CZ-CZ2 3.79Å; F395-W406 HydrophobicContact CZ-CZ3 4.09Å; F395-W406 AromaticContact CZ-NE1 3.58Å; F395-L430 HydrophobicContact CE1-CD1 3.99Å; F395-L430 HydrophobicContact CE1-CD2 3.97Å; F395-L430 HydrophobicContact CZ-CD1 3.76Å; F395-L430 HydrophobicContact CZ-CD2 3.84Å; F395-L430 HydrophobicContact CZ-CG 4.48Å
396	I	94.4	Very high	89.6	Confident	43 Å²	43	53 Å²	53	22%	0.221	28%	0.278	C	S	.	.			trans	-122.1	155.9	171.7	63.5	177.3	0	0	0	110.1	H301 G306 T308 S381 A384 T399	H301-I396 HydrophobicContact CB-CB 4.35Å; H301-I396 HydrophobicContact CB-CD1 4.24Å; G306-I396 WeakPolarHBondContact O-CG2 3.49Å; T308-I396 HydrophobicContact CG2-CB 4.37Å; T308-I396 HydrophobicContact CG2-CG2 4.22Å; S381-I396 PolarHBondContact OG-O 2.76Å; A384-I396 VanDerWaalsContact CB-C 3.42Å; I396-T399 PolarHBondContact O-OG1 3.27Å
397	Q	96.6	Very high	88.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	157.6	170.8	-65.1	-171.1	53.4	0	0	110.3	H301 S302 S381 A384 G385 R522	H301-Q397 WeakPolarHBondContact CA-O 3.37Å; H301-Q397 WeakPolarHBondContact CB-O 3.07Å; H301-Q397 PolarHBondContact CD2-O 3.23Å; H301-Q397 PolarHBondContact O-N 3.42Å; S302-Q397 PolarHBondContact OG-NE2 2.88Å; S381-Q397 WeakPolarHBondContact OG-CA 3.34Å; A384-Q397 HydrophobicContact CB-CG 3.93Å; G385-Q397 PolarHBondContact O-NE2 3.38Å; G385-Q397 VanDerWaalsContact O-NE2 3.16Å; Q397-R522 HydrophobicContact CB-CB 4.44Å; Q397-R522 HydrophobicContact CB-CG 4.27Å; Q397-R522 VanDerWaalsContact OE1-CZ 3.24Å
398	G	95.8	Very high	87.6	Confident	12 Å²	12	59.1 Å²	59.1	12%	0.124	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	15.6	178.3	0	0	0	0	0	114.1	S381 T400 L520 Q521	S381-G398 PolarHBondContact OG-N 2.72Å; G398-T400 PolarHBondContact O-N 3.07Å; G398-L520 CarbonylContact C-O 3.54Å; G398-L520 VanDerWaalsContact CA-O 3.22Å; G398-L520 WeakPolarHBondContact CA-O 3.45Å; G398-Q521 VanDerWaalsContact CA-O 3.27Å; G398-Q521 WeakPolarHBondContact CA-O 3.46Å; G398-Q521 PolarHBondContact N-O 3.49Å
399	T	93.4	Very high	86.8	Confident	25 Å²	25	61.3 Å²	61.3	15%	0.153	32%	0.323	C	S	.	.			trans	-85.5	111.1	-173.2	-61.2	0	0	0	0	110.6	F380 S381 I396 R401 P428 Q521	F380-T399 HydrophobicContact CB-CG2 4.08Å; F380-T399 HydrophobicContact CD1-CG2 4.37Å; S381-T399 PolarHBondContact OG-N 2.88Å; S381-T399 VanDerWaalsContact OG-N 3.17Å; I396-T399 PolarHBondContact O-OG1 3.27Å; T399-R401 WeakPolarHBondContact CG2-O 3.21Å; T399-P428 HydrophobicContact CG2-CG 4.21Å; T399-P428 WeakPolarHBondContact O-CD 3.38Å; T399-P428 WeakPolarHBondContact O-CG 3.45Å; T399-Q521 PolarHBondContact N-O 3.01Å; T399-Q521 WeakPolarHBondContact O-CB 3.2Å
400	T	89.2	Confident	86.3	Confident	67 Å²	67	62.2 Å²	62.2	41%	0.411	32%	0.324	S	S	.	.			trans	-102.9	-4.2	177.7	56.3	0	0	0	0	113.9	G398 Q521	G398-T400 PolarHBondContact O-N 3.07Å; T400-Q521 HydrophobicContact CG2-CB 4.1Å; T400-Q521 HydrophobicContact CG2-CG 4.27Å
401	R	84.3	Confident	85.8	Confident	214 Å²	214	64 Å²	64	81%	0.808	33%	0.332	S	S	*	.	S	Bend	trans	-132.6	126.6	175.9	-64.1	-175.5	-178.2	-174.7	1	109.8	T399	T399-R401 WeakPolarHBondContact CG2-O 3.21Å
402	G	74.6	Confident	85.5	Confident	30 Å²	30	72 Å²	72	31%	0.309	36%	0.36	S	S	.	.			trans	-67.9	156.5	176	0	0	0	0	0	112.1	F380	F380-G402 VanDerWaalsContact CE1-CA 3.48Å
403	S	80.9	Confident	85.6	Confident	42 Å²	42	72.2 Å²	72.2	29%	0.294	36%	0.361	S	S	.	.			trans	-90.3	151.1	171	79	0	0	0	0	110.7	F380 F405 W406 N407	F380-S403 VanDerWaalsContact CE1-N 3.28Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 3.36Å; S403-W406 PolarHBondContact O-N 2.79Å; S403-W406 VanDerWaalsContact OG-CD1 3.22Å; S403-W406 PolarHBondContact OG-N 3.25Å; S403-N407 WeakPolarHBondContact O-CB 3.47Å; S403-N407 PolarHBondContact O-N 2.94Å; S403-N407 PolarHBondContact O-ND2 2.82Å; S403-N407 VanDerWaalsContact O-ND2 3.17Å
404	L	80.4	Confident	85.8	Confident	138 Å²	138	70.3 Å²	70.3	72%	0.723	35%	0.352	S	S	*	.	H	α-helix	trans	-56.9	-42.6	178.1	178.3	61.6	0	0	0	111.8	N407 I408	L404-N407 PolarHBondContact O-N 3.41Å; L404-I408 HydrophobicContact CD1-CD1 4.27Å; L404-I408 HydrophobicContact CG-CD1 4.2Å; L404-I408 WeakPolarHBondContact O-CG1 3.33Å; L404-I408 PolarHBondContact O-N 3.49Å; L404-I408 VanDerWaalsContact O-N 3.12Å
405	F	82	Confident	86.1	Confident	129 Å²	129	70.5 Å²	70.5	57%	0.566	36%	0.356	S	S	*	.	H	α-helix	trans	-60.7	-52.7	-179.6	177.3	-100.1	0	0	0	112.1	S403 N407 I408 V409	S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 3.36Å; F405-N407 VanDerWaalsContact C-N 3.33Å; F405-N407 PolarHBondContact O-N 3.09Å; F405-I408 WeakPolarHBondContact O-CB 3.22Å; F405-I408 PolarHBondContact O-N 2.62Å; F405-I408 VanDerWaalsContact O-N 3.16Å; F405-V409 HydrophobicContact CD1-CG2 4.48Å; F405-V409 HydrophobicContact CE1-CG2 4.05Å; F405-V409 HydrophobicContact CZ-CG2 4.07Å; F405-V409 PolarHBondContact O-N 3.14Å; F405-V409 VanDerWaalsContact O-N 3.09Å
406	W	87.2	Confident	86.2	Confident	29 Å²	29	70.4 Å²	70.4	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-71.3	-27.5	-178.7	-73.2	120.7	0	0	0	113.3	F380 F393 D394 F395 S403 V409 R410	F380-W406 HydrophobicContact CD1-CB 4.43Å; F380-W406 HydrophobicContact CE1-CB 3.41Å; F380-W406 VanDerWaalsContact CE1-CB 3.41Å; F380-W406 HydrophobicContact CE1-CG 4.09Å; F380-W406 HydrophobicContact CZ-CB 3.48Å; F380-W406 VanDerWaalsContact CZ-CB 3.48Å; F393-W406 HydrophobicContact CB-CH2 4.27Å; F393-W406 HydrophobicContact CB-CZ2 3.66Å; F393-W406 HydrophobicContact CD1-CH2 4.06Å; F393-W406 HydrophobicContact CD1-CZ2 4.11Å; F393-W406 AromaticContact CD2-CH2 3.89Å; F393-W406 HydrophobicContact CD2-CH2 3.89Å; F393-W406 HydrophobicContact CD2-CZ2 4.14Å; F393-W406 HydrophobicContact CE1-CH2 4.38Å; F393-W406 HydrophobicContact CE2-CH2 4.22Å; F393-W406 AromaticContact CG-CH2 3.81Å; F393-W406 HydrophobicContact CG-CH2 3.81Å; F393-W406 AromaticContact CG-CZ2 3.72Å; F393-W406 HydrophobicContact CG-CZ2 3.72Å; F393-W406 HydrophobicContact CZ-CH2 4.45Å; D394-W406 PolarHBondContact OD1-NE1 3.28Å; F395-W406 HydrophobicContact CD2-CZ2 4.24Å; F395-W406 AromaticContact CE1-CD1 3.77Å; F395-W406 HydrophobicContact CE1-CD2 4.07Å; F395-W406 AromaticContact CE1-CG 3.91Å; F395-W406 HydrophobicContact CE1-CG 3.91Å; F395-W406 AromaticContact CE1-NE1 3.95Å; F395-W406 AromaticContact CE2-CD2 3.83Å; F395-W406 HydrophobicContact CE2-CD2 3.83Å; F395-W406 AromaticContact CE2-CE2 3.4Å; F395-W406 HydrophobicContact CE2-CE3 4.15Å; F395-W406 HydrophobicContact CE2-CG 4.49Å; F395-W406 AromaticContact CE2-CH2 3.74Å; F395-W406 HydrophobicContact CE2-CH2 3.74Å; F395-W406 AromaticContact CE2-CZ2 3.39Å; F395-W406 HydrophobicContact CE2-CZ2 3.39Å; F395-W406 HydrophobicContact CE2-CZ3 4.1Å; F395-W406 AromaticContact CE2-NE1 3.81Å; F395-W406 HydrophobicContact CZ-CB 4.45Å; F395-W406 AromaticContact CZ-CD1 3.71Å; F395-W406 AromaticContact CZ-CD2 3.28Å; F395-W406 HydrophobicContact CZ-CD2 3.28Å; F395-W406 AromaticContact CZ-CE2 3.31Å; F395-W406 AromaticContact CZ-CE3 3.68Å; F395-W406 HydrophobicContact CZ-CE3 3.68Å; F395-W406 AromaticContact CZ-CG 3.61Å; F395-W406 HydrophobicContact CZ-CG 3.61Å; F395-W406 HydrophobicContact CZ-CH2 4.14Å; F395-W406 AromaticContact CZ-CZ2 3.79Å; F395-W406 HydrophobicContact CZ-CZ2 3.79Å; F395-W406 HydrophobicContact CZ-CZ3 4.09Å; F395-W406 AromaticContact CZ-NE1 3.58Å; S403-W406 PolarHBondContact O-N 2.79Å; S403-W406 VanDerWaalsContact OG-CD1 3.22Å; S403-W406 PolarHBondContact OG-N 3.25Å; W406-V409 HydrophobicContact CE3-CB 4Å; W406-V409 HydrophobicContact CE3-CG1 4.09Å; W406-V409 HydrophobicContact CE3-CG2 4.2Å; W406-V409 HydrophobicContact CZ3-CB 4.41Å; W406-V409 HydrophobicContact CZ3-CG1 4.07Å; W406-V409 HydrophobicContact CZ3-CG2 4.46Å; W406-V409 PolarHBondContact O-N 3.4Å; W406-R410 VanDerWaalsContact O-CB 3.29Å; W406-R410 WeakPolarHBondContact O-CB 3.34Å; W406-R410 PolarHBondContact O-N 2.78Å
407	N	82	Confident	86.3	Confident	42 Å²	42	70.5 Å²	70.5	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-43.7	169.3	-73.8	-29.5	0	0	0	111.2	S403 L404 F405 R410 D411	S403-N407 WeakPolarHBondContact O-CB 3.47Å; S403-N407 PolarHBondContact O-N 2.94Å; S403-N407 PolarHBondContact O-ND2 2.82Å; S403-N407 VanDerWaalsContact O-ND2 3.17Å; L404-N407 PolarHBondContact O-N 3.41Å; F405-N407 VanDerWaalsContact C-N 3.33Å; F405-N407 PolarHBondContact O-N 3.09Å; N407-R410 PolarHBondContact O-N 2.82Å; N407-R410 PolarHBondContact OD1-NH1 3.21Å; N407-D411 VanDerWaalsContact O-CB 3.3Å; N407-D411 WeakPolarHBondContact O-CB 3.45Å; N407-D411 PolarHBondContact O-N 2.97Å
408	I	72.3	Confident	86.4	Confident	105 Å²	105	77 Å²	77	54%	0.538	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-45.2	175.8	-66.9	165.1	0	0	0	111	L404 F405 D411 F412	L404-I408 HydrophobicContact CD1-CD1 4.27Å; L404-I408 HydrophobicContact CG-CD1 4.2Å; L404-I408 WeakPolarHBondContact O-CG1 3.33Å; L404-I408 PolarHBondContact O-N 3.49Å; L404-I408 VanDerWaalsContact O-N 3.12Å; F405-I408 WeakPolarHBondContact O-CB 3.22Å; F405-I408 PolarHBondContact O-N 2.62Å; F405-I408 VanDerWaalsContact O-N 3.16Å; I408-D411 PolarHBondContact O-N 3.4Å; I408-F412 PolarHBondContact O-N 3.35Å
409	V	79.5	Confident	86.4	Confident	51 Å²	51	82.8 Å²	82.8	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-46	178.4	175.3	0	0	0	0	111.3	F405 W406 D411 F412 I413	F405-V409 HydrophobicContact CD1-CG2 4.48Å; F405-V409 HydrophobicContact CE1-CG2 4.05Å; F405-V409 HydrophobicContact CZ-CG2 4.07Å; F405-V409 PolarHBondContact O-N 3.14Å; F405-V409 VanDerWaalsContact O-N 3.09Å; W406-V409 HydrophobicContact CE3-CB 4Å; W406-V409 HydrophobicContact CE3-CG1 4.09Å; W406-V409 HydrophobicContact CE3-CG2 4.2Å; W406-V409 HydrophobicContact CZ3-CB 4.41Å; W406-V409 HydrophobicContact CZ3-CG1 4.07Å; W406-V409 HydrophobicContact CZ3-CG2 4.46Å; W406-V409 PolarHBondContact O-N 3.4Å; V409-D411 PolarHBondContact O-N 3.07Å; V409-F412 WeakPolarHBondContact O-CB 3.41Å; V409-F412 PolarHBondContact O-N 2.97Å; V409-I413 PolarHBondContact O-N 2.9Å
410	R	85.2	Confident	86.6	Confident	29 Å²	29	81.9 Å²	81.9	11%	0.109	41%	0.407	C	S	.	.	H	α-helix	trans	-57.4	-49.3	173.5	172.5	-161.7	74.6	-151.5	-6.3	110.9	W406 N407 F412 I413 K414 I429 L430	W406-R410 VanDerWaalsContact O-CB 3.29Å; W406-R410 WeakPolarHBondContact O-CB 3.34Å; W406-R410 PolarHBondContact O-N 2.78Å; N407-R410 PolarHBondContact O-N 2.82Å; N407-R410 PolarHBondContact OD1-NH1 3.21Å; R410-F412 PolarHBondContact O-N 3.49Å; R410-I413 CarbonylContact O-C 2.97Å; R410-I413 WeakPolarHBondContact O-CA 3.38Å; R410-I413 WeakPolarHBondContact O-CB 3.4Å; R410-I413 PolarHBondContact O-N 2.93Å; R410-K414 CarbonylContact O-C 3.43Å; R410-K414 PolarHBondContact O-N 3.34Å; R410-I429 WeakPolarHBondContact CD-O 3.25Å; R410-I429 PolarHBondContact NH1-O 3.26Å; R410-I429 VanDerWaalsContact NH1-O 3.13Å; R410-L430 VanDerWaalsContact CG-O 3.28Å; R410-L430 WeakPolarHBondContact CG-O 3.42Å
411	D	84.8	Confident	87	Confident	59 Å²	59	82.4 Å²	82.4	32%	0.316	41%	0.407	S	S	.	.	H	α-helix	trans	-67.7	-24.1	-173.8	-67.5	-17	0	0	0	112.5	N407 I408 V409 I413 T415	N407-D411 VanDerWaalsContact O-CB 3.3Å; N407-D411 WeakPolarHBondContact O-CB 3.45Å; N407-D411 PolarHBondContact O-N 2.97Å; I408-D411 PolarHBondContact O-N 3.4Å; V409-D411 PolarHBondContact O-N 3.07Å; D411-I413 VanDerWaalsContact C-N 3.34Å; D411-T415 PolarHBondContact O-OG1 2.92Å; D411-T415 WeakPolarHBondContact OD1-CA 3.37Å
412	F	82	Confident	87.6	Confident	191 Å²	191	79.3 Å²	79.3	84%	0.838	40%	0.399	S	S	*	.	H	α-helix	trans	-66.4	-34.3	168.4	-175.1	-96.7	0	0	0	112.8	I408 V409 R410	I408-F412 PolarHBondContact O-N 3.35Å; V409-F412 WeakPolarHBondContact O-CB 3.41Å; V409-F412 PolarHBondContact O-N 2.97Å; R410-F412 PolarHBondContact O-N 3.49Å
413	I	84.2	Confident	88.7	Confident	106 Å²	106	79.1 Å²	79.1	54%	0.544	39%	0.392	S	S	.	.	H	α-helix	trans	-82.2	-56.2	177	-61.1	171	0	0	0	110.2	V409 R410 D411 M436	V409-I413 PolarHBondContact O-N 2.9Å; R410-I413 CarbonylContact O-C 2.97Å; R410-I413 WeakPolarHBondContact O-CA 3.38Å; R410-I413 WeakPolarHBondContact O-CB 3.4Å; R410-I413 PolarHBondContact O-N 2.93Å; D411-I413 VanDerWaalsContact C-N 3.34Å; I413-M436 HydrophobicContact CG2-CE 3.43Å; I413-M436 VanDerWaalsContact CG2-CE 3.43Å
414	K	91.2	Very high	89.5	Confident	76 Å²	76	77.1 Å²	77.1	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-164.4	115.8	179.2	177.2	67	-177	-155.2	0	110.2	R410 P416 A432 E435 M436	R410-K414 CarbonylContact O-C 3.43Å; R410-K414 PolarHBondContact O-N 3.34Å; K414-P416 WeakPolarHBondContact O-CD 3.42Å; K414-A432 HydrophobicContact CG-CB 4.23Å; K414-E435 VanDerWaalsContact CE-CB 3.45Å; K414-E435 WeakPolarHBondContact CE-O 3.47Å; K414-E435 WeakPolarHBondContact CE-OE2 3.31Å; K414-E435 PolarHBondContact NZ-O 2.92Å; K414-M436 HydrophobicContact CB-CE 4.19Å; K414-M436 HydrophobicContact CB-CG 3.96Å; K414-M436 HydrophobicContact CB-SD 3.94Å; K414-M436 HydrophobicContact CG-CG 3.83Å; K414-M436 HydrophobicContact CG-SD 4.35Å
415	T	94.6	Very high	90.3	Very high	83 Å²	83	73 Å²	73	51%	0.509	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-70.7	121.1	168.2	-48.4	0	0	0	0	110.2	D411	D411-T415 PolarHBondContact O-OG1 2.92Å; D411-T415 WeakPolarHBondContact OD1-CA 3.37Å
416	P	95.7	Very high	91.1	Very high	6 Å²	6	68.7 Å²	68.7	4%	0.039	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.7	139.9	175.5	24.5	-30.3	0	0	0	110.7	K414 L420 I421 I429 A432 E435	K414-P416 WeakPolarHBondContact O-CD 3.42Å; P416-L420 HydrophobicContact CB-CD2 4.2Å; P416-I421 HydrophobicContact CB-CD1 4.46Å; P416-I421 HydrophobicContact CB-CG1 4.03Å; P416-I421 HydrophobicContact CG-CD1 4.07Å; P416-I421 HydrophobicContact CG-CG1 4Å; P416-I429 HydrophobicContact CB-CD1 4.03Å; P416-I429 HydrophobicContact CB-CG2 4.32Å; P416-I429 HydrophobicContact CG-CB 4.48Å; P416-I429 HydrophobicContact CG-CG2 4.44Å; P416-A432 HydrophobicContact CB-CB 3.94Å; P416-E435 WeakPolarHBondContact CA-OE2 2.95Å
417	S	97.2	Very high	91.6	Very high	45 Å²	45	67.6 Å²	67.6	32%	0.315	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-63.7	153.8	174.4	72.2	0	0	0	0	112.2	K419 L420 I421 E435	S417-K419 PolarHBondContact O-N 3.19Å; S417-L420 PolarHBondContact O-N 3.38Å; S417-L420 VanDerWaalsContact O-N 3.08Å; S417-L420 WeakPolarHBondContact OG-CB 3.38Å; S417-L420 PolarHBondContact OG-N 3.39Å; S417-L420 VanDerWaalsContact OG-N 3.13Å; S417-I421 WeakPolarHBondContact O-CG1 2.95Å; S417-I421 PolarHBondContact O-N 3.32Å; S417-E435 WeakPolarHBondContact CB-OE1 3.38Å; S417-E435 PolarHBondContact N-OE1 3.31Å; S417-E435 VanDerWaalsContact N-OE1 3.08Å; S417-E435 PolarHBondContact N-OE2 3.13Å; S417-E435 VanDerWaalsContact N-OE2 3.09Å; S417-E435 PolarHBondContact OG-OE1 2.86Å
418	E	96.9	Very high	92.3	Very high	138 Å²	138	66.3 Å²	66.3	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-57.5	-33.1	173	-70	-170.4	-171.1	0	0	112.6	K422	E418-K422 WeakPolarHBondContact O-CB 3.27Å; E418-K422 VanDerWaalsContact O-CG 3.27Å; E418-K422 WeakPolarHBondContact O-CG 3.34Å; E418-K422 PolarHBondContact O-N 3.02Å; E418-K422 IonicContact OE2-NZ 3.3Å; E418-K422 PolarHBondContact OE2-NZ 2.79Å
419	K	96.9	Very high	93.5	Very high	134 Å²	134	61.5 Å²	61.5	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-61.4	-48.2	176	-179.2	-170.3	172	-161.7	0	110.1	S417 K422 C423	S417-K419 PolarHBondContact O-N 3.19Å; K419-K422 PolarHBondContact O-N 3.36Å; K419-C423 WeakPolarHBondContact O-CB 3.41Å; K419-C423 PolarHBondContact O-N 3.26Å
420	L	97.6	Very high	94.3	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-65.8	-44.2	179.7	-175.5	62.9	0	0	0	111.7	E375 A377 P416 S417 K422 C423 Q424 I429 A432 E435	E375-L420 HydrophobicContact CB-CD1 4Å; E375-L420 WeakPolarHBondContact O-CD1 3.46Å; A377-L420 HydrophobicContact CB-CD2 4.33Å; P416-L420 HydrophobicContact CB-CD2 4.2Å; S417-L420 PolarHBondContact O-N 3.38Å; S417-L420 VanDerWaalsContact O-N 3.08Å; S417-L420 WeakPolarHBondContact OG-CB 3.38Å; S417-L420 PolarHBondContact OG-N 3.39Å; S417-L420 VanDerWaalsContact OG-N 3.13Å; L420-K422 VanDerWaalsContact C-N 3.34Å; L420-K422 PolarHBondContact O-N 3.49Å; L420-C423 PolarHBondContact O-N 3.48Å; L420-Q424 HydrophobicContact CD1-CG 3.86Å; L420-Q424 HydrophobicContact CG-CG 4.27Å; L420-Q424 WeakPolarHBondContact O-CB 3.28Å; L420-Q424 WeakPolarHBondContact O-CG 3.38Å; L420-Q424 PolarHBondContact O-N 3.12Å; L420-I429 HydrophobicContact CB-CD1 4.4Å; L420-I429 HydrophobicContact CD2-CD1 3.92Å; L420-I429 HydrophobicContact CG-CD1 3.62Å; L420-A432 HydrophobicContact CD2-CB 3.73Å; L420-E435 WeakPolarHBondContact CB-OE1 3.33Å; L420-E435 HydrophobicContact CD2-CG 4.06Å
421	I	97.3	Very high	94.8	Very high	78 Å²	78	60 Å²	60	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-57.3	-47.6	176.6	-64.9	169.6	0	0	0	110.8	P416 S417 A425 I429	P416-I421 HydrophobicContact CB-CD1 4.46Å; P416-I421 HydrophobicContact CB-CG1 4.03Å; P416-I421 HydrophobicContact CG-CD1 4.07Å; P416-I421 HydrophobicContact CG-CG1 4Å; S417-I421 WeakPolarHBondContact O-CG1 2.95Å; S417-I421 PolarHBondContact O-N 3.32Å; I421-A425 PolarHBondContact O-N 3.5Å; I421-I429 HydrophobicContact CG1-CD1 4.23Å
422	K	97.3	Very high	95.4	Very high	149 Å²	149	57.3 Å²	57.3	65%	0.648	29%	0.294	S	S	*	.	H	α-helix	trans	-64.7	-40.4	179.4	-72.6	170.9	-171.5	165.3	0	111.9	E418 K419 L420	E418-K422 WeakPolarHBondContact O-CB 3.27Å; E418-K422 VanDerWaalsContact O-CG 3.27Å; E418-K422 WeakPolarHBondContact O-CG 3.34Å; E418-K422 PolarHBondContact O-N 3.02Å; E418-K422 IonicContact OE2-NZ 3.3Å; E418-K422 PolarHBondContact OE2-NZ 2.79Å; K419-K422 PolarHBondContact O-N 3.36Å; L420-K422 VanDerWaalsContact C-N 3.34Å; L420-K422 PolarHBondContact O-N 3.49Å
423	C	97.9	Very high	96.1	Very high	25 Å²	25	48.2 Å²	48.2	17%	0.169	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-41.7	-180	-166.8	0	0	0	0	112.3	H372 C374 K419 L420 A425	H372-C423 VanDerWaalsContact CE1-SG 3.58Å; C374-C423 WeakPolarHBondContact CA-SG 3.2Å; C374-C423 HydrophobicContact CB-CB 3.91Å; C374-C423 WeakPolarHBondContact CB-SG 3.39Å; C374-C423 WeakPolarHBondContact SG-CB 3.48Å; C374-C423 PolarHBondContact SG-O 3.28Å; C374-C423 CovalentContact SG-SG 2.04Å; C374-C423 PolarHBondContact SG-SG 2.73Å; K419-C423 WeakPolarHBondContact O-CB 3.41Å; K419-C423 PolarHBondContact O-N 3.26Å; L420-C423 PolarHBondContact O-N 3.48Å; C423-A425 VanDerWaalsContact C-N 3.32Å; C423-A425 PolarHBondContact O-N 3.01Å
424	Q	98.2	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-81.6	-6.3	-177.2	-67.6	-79	-6.7	0	0	113.4	C374 E375 A377 L420 K427 I429 Y518 I529	C374-Q424 HydrophobicContact CB-CG 4.26Å; E375-Q424 PolarHBondContact O-NE2 2.91Å; A377-Q424 HydrophobicContact CB-CG 4.11Å; L420-Q424 HydrophobicContact CD1-CG 3.86Å; L420-Q424 HydrophobicContact CG-CG 4.27Å; L420-Q424 WeakPolarHBondContact O-CB 3.28Å; L420-Q424 WeakPolarHBondContact O-CG 3.38Å; L420-Q424 PolarHBondContact O-N 3.12Å; Q424-K427 HydrophobicContact CB-CB 4.34Å; Q424-K427 HydrophobicContact CB-CD 4.47Å; Q424-K427 WeakPolarHBondContact O-CB 3.25Å; Q424-K427 PolarHBondContact O-N 2.83Å; Q424-I429 HydrophobicContact CB-CD1 4.07Å; Q424-I429 HydrophobicContact CB-CG1 4.15Å; Q424-I429 HydrophobicContact CG-CD1 4.03Å; Q424-I429 HydrophobicContact CG-CG1 4.36Å; Q424-Y518 PolarHBondContact O-OH 2.94Å; Q424-Y518 PolarHBondContact OE1-OH 2.88Å; Q424-I529 PolarHBondContact NE2-O 3.13Å
425	A	97.1	Very high	97	Very high	53 Å²	53	41.6 Å²	41.6	44%	0.438	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	138.4	-178	0	0	0	0	0	111.9	I421 C423	I421-A425 PolarHBondContact O-N 3.5Å; C423-A425 VanDerWaalsContact C-N 3.32Å; C423-A425 PolarHBondContact O-N 3.01Å
426	P	97.6	Very high	97	Very high	38 Å²	38	38.5 Å²	38.5	25%	0.247	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89	9.3	7.6	36.9	-38.3	0	0	0	115.2	P428 Q519	P426-P428 VanDerWaalsContact O-CD 3.27Å; P426-P428 WeakPolarHBondContact O-CD 3.2Å; P426-Q519 VanDerWaalsContact CD-OE1 3.26Å
427	K	98.4	Very high	96.8	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.026	23%	0.227	C	C	.	.			trans	-59.5	120.4	-179.8	175.7	-171.8	-66.9	171.8	0	111.2	A377 G379 Q424 I429 Y518 Q521 A526 T528	A377-K427 PolarHBondContact O-NZ 3.46Å; G379-K427 VanDerWaalsContact CA-CG 3.48Å; Q424-K427 HydrophobicContact CB-CB 4.34Å; Q424-K427 HydrophobicContact CB-CD 4.47Å; Q424-K427 WeakPolarHBondContact O-CB 3.25Å; Q424-K427 PolarHBondContact O-N 2.83Å; K427-I429 PolarHBondContact O-N 3.36Å; K427-Y518 HydrophobicContact CB-CE1 4.35Å; K427-Y518 WeakPolarHBondContact CB-OH 3.42Å; K427-Y518 VanDerWaalsContact CE-OH 3.23Å; K427-Y518 WeakPolarHBondContact CE-OH 3.35Å; K427-Q521 HydrophobicContact CB-CG 4.49Å; K427-Q521 VanDerWaalsContact CB-OE1 3.31Å; K427-Q521 VanDerWaalsContact CG-OE1 3.25Å; K427-A526 VanDerWaalsContact CE-O 3.24Å; K427-A526 WeakPolarHBondContact CE-O 3.31Å; K427-A526 PolarHBondContact NZ-O 2.83Å; K427-T528 PolarHBondContact NZ-O 2.92Å
428	P	97.1	Very high	96.5	Very high	15 Å²	15	46.2 Å²	46.2	10%	0.097	25%	0.247	C	C	.	.			trans	-75.2	111.3	165.9	30.3	-30.4	0	0	0	108.2	G379 F380 T399 P426 L430	G379-P428 CarbonylContact C-O 3.6Å; G379-P428 WeakPolarHBondContact CA-O 3.41Å; F380-P428 HydrophobicContact CB-CG 4.05Å; F380-P428 HydrophobicContact CD2-CB 3.92Å; F380-P428 HydrophobicContact CD2-CG 4.18Å; F380-P428 WeakPolarHBondContact CD2-O 3.15Å; F380-P428 HydrophobicContact CE2-CB 4.3Å; F380-P428 HydrophobicContact CG-CB 4.3Å; F380-P428 HydrophobicContact CG-CG 4.15Å; F380-P428 PolarHBondContact N-O 2.64Å; T399-P428 HydrophobicContact CG2-CG 4.21Å; T399-P428 WeakPolarHBondContact O-CD 3.38Å; T399-P428 WeakPolarHBondContact O-CG 3.45Å; P426-P428 VanDerWaalsContact O-CD 3.27Å; P426-P428 WeakPolarHBondContact O-CD 3.2Å; P428-L430 PolarHBondContact O-N 3.14Å
429	I	97.3	Very high	96.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.6	-176.9	-60.2	172.3	0	0	0	109.8	A377 F380 R410 P416 L420 I421 Q424 K427 A432	A377-I429 HydrophobicContact CB-CD1 4.29Å; A377-I429 HydrophobicContact CB-CG1 4.2Å; A377-I429 HydrophobicContact CB-CG2 4.08Å; F380-I429 WeakPolarHBondContact CE2-O 3.43Å; R410-I429 WeakPolarHBondContact CD-O 3.25Å; R410-I429 PolarHBondContact NH1-O 3.26Å; R410-I429 VanDerWaalsContact NH1-O 3.13Å; P416-I429 HydrophobicContact CB-CD1 4.03Å; P416-I429 HydrophobicContact CB-CG2 4.32Å; P416-I429 HydrophobicContact CG-CB 4.48Å; P416-I429 HydrophobicContact CG-CG2 4.44Å; L420-I429 HydrophobicContact CB-CD1 4.4Å; L420-I429 HydrophobicContact CD2-CD1 3.92Å; L420-I429 HydrophobicContact CG-CD1 3.62Å; I421-I429 HydrophobicContact CG1-CD1 4.23Å; Q424-I429 HydrophobicContact CB-CD1 4.07Å; Q424-I429 HydrophobicContact CB-CG1 4.15Å; Q424-I429 HydrophobicContact CG-CD1 4.03Å; Q424-I429 HydrophobicContact CG-CG1 4.36Å; K427-I429 PolarHBondContact O-N 3.36Å; I429-A432 HydrophobicContact CG2-CB 4.15Å
430	L	96.1	Very high	96	Very high	22 Å²	22	37.3 Å²	37.3	12%	0.115	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-39.5	169.2	-178	62.3	0	0	0	111.6	M378 F380 A383 F395 R410 P428	M378-L430 PolarHBondContact O-N 3.05Å; F380-L430 HydrophobicContact CD2-CB 3.76Å; F380-L430 HydrophobicContact CD2-CD1 4.26Å; F380-L430 HydrophobicContact CE2-CB 4.22Å; F380-L430 HydrophobicContact CE2-CD1 4.18Å; A383-L430 HydrophobicContact CB-CD2 3.58Å; F395-L430 HydrophobicContact CE1-CD1 3.99Å; F395-L430 HydrophobicContact CE1-CD2 3.97Å; F395-L430 HydrophobicContact CZ-CD1 3.76Å; F395-L430 HydrophobicContact CZ-CD2 3.84Å; F395-L430 HydrophobicContact CZ-CG 4.48Å; R410-L430 VanDerWaalsContact CG-O 3.28Å; R410-L430 WeakPolarHBondContact CG-O 3.42Å; P428-L430 PolarHBondContact O-N 3.14Å
431	V	95.5	Very high	95.9	Very high	27 Å²	27	38.4 Å²	38.4	16%	0.164	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	117	179.4	-166.4	0	0	0	0	109.8	A377 M378 T433 M436 W442	A377-V431 WeakPolarHBondContact CA-O 3.27Å; M378-V431 HydrophobicContact CB-CB 4.25Å; M378-V431 PolarHBondContact N-O 2.92Å; M378-V431 PolarHBondContact O-N 2.8Å; M378-V431 VanDerWaalsContact O-N 3.16Å; V431-T433 VanDerWaalsContact C-N 3.29Å; V431-T433 HydrophobicContact CB-CG2 4.18Å; V431-T433 HydrophobicContact CG1-CG2 3.61Å; V431-T433 PolarHBondContact O-N 2.73Å; V431-T433 VanDerWaalsContact O-N 3.13Å; V431-M436 HydrophobicContact CG1-SD 3.86Å; V431-W442 HydrophobicContact CG1-CE3 4.02Å; V431-W442 HydrophobicContact CG1-CZ3 3.98Å
432	A	97.2	Very high	95.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	21%	0.209	C	C	.	.			trans	-87	60	-177.8	0	0	0	0	0	111.8	K414 P416 L420 I429 G434 E435 M436	K414-A432 HydrophobicContact CG-CB 4.23Å; P416-A432 HydrophobicContact CB-CB 3.94Å; L420-A432 HydrophobicContact CD2-CB 3.73Å; I429-A432 HydrophobicContact CG2-CB 4.15Å; A432-G434 PolarHBondContact O-N 2.84Å; A432-G434 VanDerWaalsContact O-N 3.12Å; A432-E435 PolarHBondContact O-N 3.39Å; A432-M436 WeakPolarHBondContact O-CG 3.43Å
433	T	97	Very high	95.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.4	-29	-166.7	50.4	0	0	0	0	115	L135 P376 V431 E435 M436 W442 Q443	L135-T433 HydrophobicContact CD2-CG2 4.27Å; P376-T433 VanDerWaalsContact C-OG1 3.23Å; P376-T433 PolarHBondContact O-N 3.21Å; P376-T433 PolarHBondContact O-OG1 2.8Å; V431-T433 VanDerWaalsContact C-N 3.29Å; V431-T433 HydrophobicContact CB-CG2 4.18Å; V431-T433 HydrophobicContact CG1-CG2 3.61Å; V431-T433 PolarHBondContact O-N 2.73Å; V431-T433 VanDerWaalsContact O-N 3.13Å; T433-E435 VanDerWaalsContact C-N 3.27Å; T433-E435 PolarHBondContact O-N 3.06Å; T433-M436 PolarHBondContact O-N 3.12Å; T433-W442 HydrophobicContact CG2-CB 3.99Å; T433-W442 HydrophobicContact CG2-CE3 4.36Å; T433-Q443 HydrophobicContact CG2-CG 4Å; T433-Q443 PolarHBondContact OG1-OE1 2.85Å
434	G	96.8	Very high	95.8	Very high	13 Å²	13	28.1 Å²	28.1	13%	0.134	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-70.2	-21.5	175	0	0	0	0	0	114.5	P376 A432	P376-G434 PolarHBondContact O-N 2.59Å; A432-G434 PolarHBondContact O-N 2.84Å; A432-G434 VanDerWaalsContact O-N 3.12Å
435	E	97.2	Very high	95.8	Very high	29 Å²	29	30 Å²	30	14%	0.136	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-99.7	11.5	175.7	-57.7	-179.4	176.6	0	0	112.2	E375 K414 P416 S417 L420 A432 T433	E375-E435 WeakPolarHBondContact OE2-CG 3.36Å; K414-E435 VanDerWaalsContact CE-CB 3.45Å; K414-E435 WeakPolarHBondContact CE-O 3.47Å; K414-E435 WeakPolarHBondContact CE-OE2 3.31Å; K414-E435 PolarHBondContact NZ-O 2.92Å; P416-E435 WeakPolarHBondContact CA-OE2 2.95Å; S417-E435 WeakPolarHBondContact CB-OE1 3.38Å; S417-E435 PolarHBondContact N-OE1 3.31Å; S417-E435 VanDerWaalsContact N-OE1 3.08Å; S417-E435 PolarHBondContact N-OE2 3.13Å; S417-E435 VanDerWaalsContact N-OE2 3.09Å; S417-E435 PolarHBondContact OG-OE1 2.86Å; L420-E435 WeakPolarHBondContact CB-OE1 3.33Å; L420-E435 HydrophobicContact CD2-CG 4.06Å; A432-E435 PolarHBondContact O-N 3.39Å; T433-E435 VanDerWaalsContact C-N 3.27Å; T433-E435 PolarHBondContact O-N 3.06Å
436	M	94.7	Very high	95.8	Very high	18 Å²	18	28.1 Å²	28.1	9%	0.089	17%	0.166	C	C	.	.			trans	-122.5	99.8	-176.6	-62.9	178.7	79	0	0	110.6	I413 K414 V431 A432 T433 W442	I413-M436 HydrophobicContact CG2-CE 3.43Å; I413-M436 VanDerWaalsContact CG2-CE 3.43Å; K414-M436 HydrophobicContact CB-CE 4.19Å; K414-M436 HydrophobicContact CB-CG 3.96Å; K414-M436 HydrophobicContact CB-SD 3.94Å; K414-M436 HydrophobicContact CG-CG 3.83Å; K414-M436 HydrophobicContact CG-SD 4.35Å; V431-M436 HydrophobicContact CG1-SD 3.86Å; A432-M436 WeakPolarHBondContact O-CG 3.43Å; T433-M436 PolarHBondContact O-N 3.12Å; M436-W442 HydrophobicContact CB-CB 4.29Å; M436-W442 HydrophobicContact CB-CD2 4Å; M436-W442 HydrophobicContact CB-CG 3.77Å; M436-W442 HydrophobicContact CE-CD2 3.82Å; M436-W442 HydrophobicContact CE-CE3 3.76Å; M436-W442 HydrophobicContact CE-CH2 3.22Å; M436-W442 HydrophobicContact CE-CZ2 3.3Å; M436-W442 HydrophobicContact CE-CZ3 3.47Å; M436-W442 VanDerWaalsContact CE-CZ3 3.47Å; M436-W442 PolarHBondContact O-N 2.56Å; M436-W442 VanDerWaalsContact O-N 3.14Å; M436-W442 HydrophobicContact SD-CD2 4.14Å; M436-W442 HydrophobicContact SD-CE3 3.93Å; M436-W442 HydrophobicContact SD-CH2 4.4Å; M436-W442 HydrophobicContact SD-CZ3 4.06Å
437	N	92.4	Very high	95.7	Very high	92 Å²	92	26.3 Å²	26.3	49%	0.492	15%	0.154	S	C	.	.			trans	-116.7	12.4	-175.1	-64.2	-56.9	0	0	0	113.8	P439 Y440	N437-P439 CarbonylContact O-C 3.6Å; N437-Y440 CarbonylContact C-O 3.59Å; N437-Y440 CarbonylContact O-C 3.58Å; N437-Y440 VanDerWaalsContact O-CA 3.23Å; N437-Y440 WeakPolarHBondContact O-CA 3.23Å; N437-Y440 PolarHBondContact O-N 2.86Å
438	V	89.8	Confident	95.6	Very high	121 Å²	121	26.1 Å²	26.1	73%	0.733	15%	0.153	S	C	*	.	S	Bend	trans	-115.1	130	179.5	179.9	0	0	0	0	109.1	Y440 W442	V438-Y440 VanDerWaalsContact C-N 3.34Å; V438-W442 PolarHBondContact O-NE1 3.42Å
439	P	91.1	Very high	95.7	Very high	79 Å²	79	25.4 Å²	25.4	51%	0.513	15%	0.148	S	C	.	.	S	Bend	cis	-70.4	-22.5	-3	27.6	-34.6	0	0	0	114.6	V134 N437 F569	V134-P439 HydrophobicContact CG2-CG 4.25Å; N437-P439 CarbonylContact O-C 3.6Å; P439-F569 HydrophobicContact CG-CD1 4Å; P439-F569 HydrophobicContact CG-CE1 3.45Å; P439-F569 VanDerWaalsContact CG-CE1 3.45Å; P439-F569 HydrophobicContact CG-CZ 4.4Å
440	Y	93.3	Very high	95.7	Very high	6 Å²	6	25.2 Å²	25.2	2%	0.024	15%	0.147	C	C	.	.	S	Bend	trans	-149.8	174	171.6	45.8	-97.7	0	0	0	107.6	Q132 V134 N437 V438 W442 F564 E567 Q568 F569	Q132-Y440 WeakPolarHBondContact O-CD2 3.05Å; Q132-Y440 WeakPolarHBondContact O-CE2 2.94Å; V134-Y440 HydrophobicContact CB-CE2 4.19Å; V134-Y440 HydrophobicContact CG2-CD2 3.42Å; V134-Y440 VanDerWaalsContact CG2-CD2 3.42Å; V134-Y440 HydrophobicContact CG2-CE1 4.46Å; V134-Y440 HydrophobicContact CG2-CE2 3.23Å; V134-Y440 HydrophobicContact CG2-CG 4.1Å; V134-Y440 VanDerWaalsContact CG2-O 3.29Å; V134-Y440 WeakPolarHBondContact CG2-O 2.99Å; N437-Y440 CarbonylContact C-O 3.59Å; N437-Y440 CarbonylContact O-C 3.58Å; N437-Y440 VanDerWaalsContact O-CA 3.23Å; N437-Y440 WeakPolarHBondContact O-CA 3.23Å; N437-Y440 PolarHBondContact O-N 2.86Å; V438-Y440 VanDerWaalsContact C-N 3.34Å; Y440-W442 PolarHBondContact O-N 3.42Å; Y440-F564 HydrophobicContact CD2-CD2 4.41Å; Y440-E567 HydrophobicContact CD1-CB 3.81Å; Y440-E567 HydrophobicContact CE1-CB 4.36Å; Y440-E567 VanDerWaalsContact CE1-O 3.31Å; Y440-E567 WeakPolarHBondContact CE1-O 3.28Å; Y440-Q568 PolarHBondContact OH-OE1 3.13Å; Y440-F569 AromaticContact CE1-CD1 3.8Å; Y440-F569 HydrophobicContact CE1-CD1 3.8Å; Y440-F569 AromaticContact CE1-CE1 3.64Å; Y440-F569 HydrophobicContact CE1-CE1 3.64Å; Y440-F569 AromaticContact CZ-CE1 3.68Å; Y440-F569 WeakPolarHBondContact OH-CE1 3.3Å
441	P	95.3	Very high	95.9	Very high	29 Å²	29	24.2 Å²	24.2	19%	0.188	14%	0.142	C	C	.	.			trans	-51.7	138.1	-177.7	-30.2	37.6	0	0	0	113.9	Y133 V134 F564	Y133-P441 HydrophobicContact CD1-CB 4.26Å; Y133-P441 WeakPolarHBondContact CD1-O 3.2Å; Y133-P441 HydrophobicContact CE1-CB 4.28Å; V134-P441 PolarHBondContact N-O 3.38Å; P441-F564 HydrophobicContact CB-CZ 4.43Å; P441-F564 HydrophobicContact CG-CE1 4.43Å; P441-F564 HydrophobicContact CG-CE2 4.25Å; P441-F564 HydrophobicContact CG-CZ 3.71Å
442	W	96	Very high	96	Very high	36 Å²	36	22.9 Å²	22.9	14%	0.136	13%	0.134	C	C	.	.	S	Bend	trans	-80.6	-25.3	-176.4	-79.1	40	0	0	0	113.6	Y133 V134 L135 F138 V431 T433 M436 V438 Y440	Y133-W442 WeakPolarHBondContact CB-O 3.43Å; V134-W442 HydrophobicContact CB-CB 4.37Å; V134-W442 HydrophobicContact CB-CD2 4.16Å; V134-W442 HydrophobicContact CB-CG 3.81Å; V134-W442 HydrophobicContact CG1-CD2 4.17Å; V134-W442 HydrophobicContact CG1-CG 4.33Å; V134-W442 HydrophobicContact CG1-CZ2 4.3Å; V134-W442 HydrophobicContact CG2-CG 4.31Å; L135-W442 WeakPolarHBondContact CB-O 3.5Å; L135-W442 HydrophobicContact CD1-CE3 4.48Å; L135-W442 PolarHBondContact N-O 3.39Å; L135-W442 VanDerWaalsContact N-O 3.11Å; F138-W442 HydrophobicContact CE1-CH2 4.41Å; F138-W442 HydrophobicContact CE2-CD2 4.33Å; F138-W442 AromaticContact CE2-CE3 3.76Å; F138-W442 HydrophobicContact CE2-CE3 3.76Å; F138-W442 AromaticContact CE2-CH2 3.68Å; F138-W442 HydrophobicContact CE2-CH2 3.68Å; F138-W442 HydrophobicContact CE2-CZ2 4.23Å; F138-W442 AromaticContact CE2-CZ3 3.42Å; F138-W442 HydrophobicContact CE2-CZ3 3.42Å; F138-W442 VanDerWaalsContact CE2-CZ3 3.42Å; F138-W442 HydrophobicContact CZ-CE3 4.18Å; F138-W442 AromaticContact CZ-CH2 3.28Å; F138-W442 HydrophobicContact CZ-CH2 3.28Å; F138-W442 AromaticContact CZ-CZ2 3.65Å; F138-W442 HydrophobicContact CZ-CZ2 3.65Å; F138-W442 AromaticContact CZ-CZ3 3.57Å; F138-W442 HydrophobicContact CZ-CZ3 3.57Å; V431-W442 HydrophobicContact CG1-CE3 4.02Å; V431-W442 HydrophobicContact CG1-CZ3 3.98Å; T433-W442 HydrophobicContact CG2-CB 3.99Å; T433-W442 HydrophobicContact CG2-CE3 4.36Å; M436-W442 HydrophobicContact CB-CB 4.29Å; M436-W442 HydrophobicContact CB-CD2 4Å; M436-W442 HydrophobicContact CB-CG 3.77Å; M436-W442 HydrophobicContact CE-CD2 3.82Å; M436-W442 HydrophobicContact CE-CE3 3.76Å; M436-W442 HydrophobicContact CE-CH2 3.22Å; M436-W442 HydrophobicContact CE-CZ2 3.3Å; M436-W442 HydrophobicContact CE-CZ3 3.47Å; M436-W442 VanDerWaalsContact CE-CZ3 3.47Å; M436-W442 PolarHBondContact O-N 2.56Å; M436-W442 VanDerWaalsContact O-N 3.14Å; M436-W442 HydrophobicContact SD-CD2 4.14Å; M436-W442 HydrophobicContact SD-CE3 3.93Å; M436-W442 HydrophobicContact SD-CH2 4.4Å; M436-W442 HydrophobicContact SD-CZ3 4.06Å; V438-W442 PolarHBondContact O-NE1 3.42Å; Y440-W442 PolarHBondContact O-N 3.42Å
443	Q	97	Very high	96.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	14%	0.135	C	C	.	.	S	Bend	trans	-146.1	159.6	176.2	-75.6	-168	-70.6	0	0	110.5	Y133 L135 Y136 P376 T433 S510 I529	Y133-Q443 VanDerWaalsContact CD1-C 3.42Å; L135-Q443 HydrophobicContact CB-CG 4.07Å; L135-Q443 VanDerWaalsContact CD2-CD 3.42Å; L135-Q443 HydrophobicContact CD2-CG 3.69Å; Y136-Q443 PolarHBondContact OH-NE2 3.21Å; P376-Q443 HydrophobicContact CB-CB 4.08Å; P376-Q443 HydrophobicContact CG-CB 4.2Å; T433-Q443 HydrophobicContact CG2-CG 4Å; T433-Q443 PolarHBondContact OG1-OE1 2.85Å; Q443-S510 PolarHBondContact NE2-OG 3.43Å; Q443-I529 HydrophobicContact CB-CD1 4.43Å
444	P	96.9	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.			trans	-67.4	132.6	-179.6	24.2	-32.5	0	0	0	112.5	Y133 V507 Y530	Y133-P444 HydrophobicContact CD2-CB 4.36Å; Y133-P444 HydrophobicContact CD2-CG 4.45Å; Y133-P444 VanDerWaalsContact CE1-CA 3.48Å; Y133-P444 HydrophobicContact CE1-CB 4.1Å; Y133-P444 HydrophobicContact CE2-CB 3.66Å; Y133-P444 HydrophobicContact CE2-CG 4.16Å; Y133-P444 VanDerWaalsContact CZ-CA 3.43Å; P444-V507 HydrophobicContact CB-CG2 4.39Å; P444-V507 HydrophobicContact CG-CG2 4.43Å; P444-Y530 VanDerWaalsContact O-CE1 3.29Å; P444-Y530 WeakPolarHBondContact O-CE1 3.28Å; P444-Y530 PolarHBondContact O-OH 3.1Å
445	S	97.2	Very high	96	Very high	39 Å²	39	23 Å²	23	27%	0.273	14%	0.135	S	C	.	.	S	Bend	trans	-91.3	-35.5	161.5	-60.4	0	0	0	0	111.6	M359	M359-S445 PolarHBondContact N-O 3.34Å
446	I	97.2	Very high	96	Very high	14 Å²	14	23.4 Å²	23.4	7%	0.072	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.9	178.3	-51.6	-53.5	0	0	0	109.4	Q92 F356 I357 D358 T559	Q92-I446 PolarHBondContact NE2-O 3.11Å; F356-I446 HydrophobicContact CB-CG2 3.91Å; F356-I446 HydrophobicContact CD1-CG2 4.32Å; F356-I446 HydrophobicContact CG-CG2 4.44Å; I357-I446 WeakPolarHBondContact O-CA 3.47Å; D358-I446 HydrophobicContact CB-CD1 3.51Å; I446-T559 HydrophobicContact CD1-CG2 3.92Å; I446-T559 HydrophobicContact CG1-CG2 4.25Å
447	V	97.1	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	156.8	176.1	-56.4	0	0	0	0	111	F356 I357 M359 V507 Y530 Y538	F356-V447 WeakPolarHBondContact CA-O 3.26Å; I357-V447 HydrophobicContact CD1-CG2 4.02Å; I357-V447 HydrophobicContact CG1-CG2 3.53Å; I357-V447 PolarHBondContact N-O 3.31Å; I357-V447 PolarHBondContact O-N 3.44Å; M359-V447 HydrophobicContact CG-CB 4.35Å; M359-V447 HydrophobicContact CG-CG1 4.08Å; M359-V447 HydrophobicContact CG-CG2 3.36Å; M359-V447 HydrophobicContact SD-CG2 4.13Å; V447-V507 HydrophobicContact CB-CG1 4.17Å; V447-Y530 HydrophobicContact CG1-CE2 4.16Å; V447-Y530 WeakPolarHBondContact CG1-OH 3.35Å; V447-Y538 HydrophobicContact CG2-CE1 4.07Å
448	E	95.4	Very high	96.5	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.1	177.6	-159.2	-175.6	123.2	0	0	110.2	K95 H113 H354 F356 N506 V507	K95-E448 WeakPolarHBondContact CD-OE2 3.26Å; K95-E448 WeakPolarHBondContact CE-OE1 3.48Å; K95-E448 WeakPolarHBondContact CE-OE2 3.49Å; K95-E448 IonicContact NZ-OE1 3.34Å; K95-E448 PolarHBondContact NZ-OE1 2.66Å; K95-E448 IonicContact NZ-OE2 3.22Å; H113-E448 IonicContact ND1-OE2 3.23Å; H354-E448 VanDerWaalsContact CD2-CD 3.49Å; H354-E448 VanDerWaalsContact CD2-CG 3.45Å; H354-E448 WeakPolarHBondContact CD2-CG 3.27Å; H354-E448 IonicContact CD2-OE1 2.75Å; H354-E448 PolarHBondContact CD2-OE1 3.37Å; H354-E448 WeakPolarHBondContact NE2-CG 3.47Å; H354-E448 IonicContact NE2-OE1 2.81Å; H354-E448 PolarHBondContact NE2-OE1 3.4Å; H354-E448 IonicContact NE2-OE2 2.85Å; F356-E448 HydrophobicContact CD1-CB 3.97Å; F356-E448 HydrophobicContact CD1-CG 3.86Å; F356-E448 HydrophobicContact CE1-CB 3.82Å; F356-E448 HydrophobicContact CE1-CG 3.54Å; F356-E448 HydrophobicContact CZ-CG 4.26Å; E448-N506 HydrophobicContact CB-CB 4.07Å; E448-N506 HydrophobicContact CG-CB 4.38Å; E448-N506 PolarHBondContact OE1-ND2 3.47Å; E448-N506 VanDerWaalsContact OE1-ND2 3.14Å; E448-V507 HydrophobicContact CB-CG1 4.01Å
449	T	98.3	Very high	96.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130	173.9	57.4	0	0	0	0	109.5	H354 Q355 I357 Y538 Q541 F542	H354-T449 CarbonylContact C-O 3.58Å; H354-T449 VanDerWaalsContact CA-O 3.29Å; H354-T449 WeakPolarHBondContact CA-O 3.48Å; Q355-T449 PolarHBondContact N-O 3.35Å; Q355-T449 PolarHBondContact O-N 2.87Å; Q355-T449 PolarHBondContact O-OG1 2.69Å; I357-T449 HydrophobicContact CD1-CG2 3.93Å; I357-T449 HydrophobicContact CG1-CG2 4.21Å; T449-Y538 HydrophobicContact CG2-CD1 4.29Å; T449-Y538 HydrophobicContact CG2-CE1 4.13Å; T449-Q541 HydrophobicContact CG2-CG 3.91Å; T449-Q541 PolarHBondContact OG1-NE2 3.03Å; T449-Q541 VanDerWaalsContact OG1-NE2 3.13Å; T449-F542 HydrophobicContact CG2-CE1 4.27Å; T449-F542 HydrophobicContact CG2-CZ 3.99Å
450	Q	98.7	Very high	97.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.5	-171.8	176.2	-173.8	39.7	0	0	110.5	H113 Q114 V116 I353 H354 V452 A461 N506	H113-Q450 PolarHBondContact O-NE2 3.45Å; H113-Q450 VanDerWaalsContact O-NE2 3.16Å; Q114-Q450 VanDerWaalsContact C-NE2 3.31Å; Q114-Q450 PolarHBondContact O-NE2 2.8Å; V116-Q450 PolarHBondContact O-NE2 3.38Å; V116-Q450 PolarHBondContact O-OE1 3.35Å; I353-Q450 WeakPolarHBondContact O-CA 3.48Å; H354-Q450 HydrophobicContact CB-CB 4.38Å; H354-Q450 HydrophobicContact CB-CG 4.38Å; Q450-V452 HydrophobicContact CG-CG1 4.32Å; Q450-A461 HydrophobicContact CB-CB 3.91Å; Q450-A461 HydrophobicContact CG-CB 4.48Å; Q450-A461 WeakPolarHBondContact O-CB 3.17Å; Q450-A461 PolarHBondContact O-N 2.94Å; Q450-N506 PolarHBondContact OE1-ND2 2.94Å
451	I	98.8	Very high	97.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.9	167.1	-55.7	178.8	0	0	0	107.2	F352 I353 L458 I459 V460 F542 L545 A546 L549	F352-I451 CarbonylContact C-O 3.57Å; F352-I451 VanDerWaalsContact CA-O 3.32Å; F352-I451 WeakPolarHBondContact CA-O 3.41Å; I353-I451 HydrophobicContact CG2-CB 3.99Å; I353-I451 PolarHBondContact N-O 3.35Å; I353-I451 PolarHBondContact O-N 2.95Å; I451-L458 HydrophobicContact CG2-CB 4.03Å; I451-L458 HydrophobicContact CG2-CD2 4.43Å; I451-I459 WeakPolarHBondContact CA-O 3.39Å; I451-V460 HydrophobicContact CD1-CG2 4.3Å; I451-V460 HydrophobicContact CG1-CG1 4.48Å; I451-V460 HydrophobicContact CG1-CG2 4.21Å; I451-F542 HydrophobicContact CD1-CD1 4.2Å; I451-F542 HydrophobicContact CG1-CD1 4.05Å; I451-L545 HydrophobicContact CD1-CB 3.82Å; I451-L545 HydrophobicContact CG1-CB 4.33Å; I451-A546 HydrophobicContact CD1-CB 4.07Å; I451-L549 HydrophobicContact CG2-CD2 3.95Å
452	V	98.7	Very high	97.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.1	166.7	-58.2	0	0	0	0	108.7	I80 I82 L117 F352 Q450 I459	I80-V452 HydrophobicContact CB-CB 4.39Å; I80-V452 HydrophobicContact CB-CG1 4.46Å; I80-V452 HydrophobicContact CD1-CB 4.17Å; I80-V452 HydrophobicContact CD1-CG2 4.22Å; I80-V452 HydrophobicContact CG2-CB 4.08Å; I80-V452 HydrophobicContact CG2-CG1 4.18Å; I82-V452 HydrophobicContact CD1-CG2 4.46Å; I82-V452 HydrophobicContact CG1-CG2 4.42Å; L117-V452 HydrophobicContact CD1-CG2 4.1Å; F352-V452 HydrophobicContact CB-CG1 4Å; Q450-V452 HydrophobicContact CG-CG1 4.32Å; V452-I459 HydrophobicContact CG2-CB 3.78Å; V452-I459 HydrophobicContact CG2-CD1 4.26Å; V452-I459 HydrophobicContact CG2-CG1 4.45Å; V452-I459 HydrophobicContact CG2-CG2 4.4Å; V452-I459 PolarHBondContact N-O 3.42Å; V452-I459 PolarHBondContact O-N 3.03Å
453	S	98.3	Very high	97.8	Very high	4 Å²	4	5.3 Å²	5.3	3%	0.028	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.1	-178	67.1	0	0	0	0	113.1	V350 N351 L457	V350-S453 WeakPolarHBondContact CA-O 3.26Å; N351-S453 WeakPolarHBondContact CB-OG 3.19Å; N351-S453 PolarHBondContact N-O 2.77Å; N351-S453 VanDerWaalsContact N-O 3.12Å; N351-S453 PolarHBondContact N-OG 3.17Å; N351-S453 PolarHBondContact O-N 2.93Å; N351-S453 PolarHBondContact O-OG 3.33Å; S453-L457 CarbonylContact C-O 3.55Å; S453-L457 WeakPolarHBondContact CA-O 3.49Å
454	I	97.6	Very high	97.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	96	170.6	-50.8	161.2	0	0	0	106.2	Y29 I71 I80 I171 I346 L457	Y29-I454 HydrophobicContact CE1-CG2 4.26Å; Y29-I454 HydrophobicContact CE2-CG2 4.15Å; I71-I454 HydrophobicContact CD1-CD1 3.5Å; I71-I454 HydrophobicContact CD1-CG1 4.33Å; I80-I454 HydrophobicContact CD1-CD1 4.21Å; I80-I454 HydrophobicContact CD1-CG1 3.72Å; I171-I454 HydrophobicContact CD1-CD1 4.01Å; I171-I454 HydrophobicContact CD1-CG2 4.07Å; I346-I454 HydrophobicContact CG2-CB 4.06Å; I346-I454 HydrophobicContact CG2-CG2 3.71Å; I346-I454 VanDerWaalsContact CG2-O 3.31Å; I346-I454 WeakPolarHBondContact CG2-O 3.34Å; I454-L457 PolarHBondContact N-O 3.27Å; I454-L457 WeakPolarHBondContact O-CB 3.39Å; I454-L457 PolarHBondContact O-N 2.87Å; I454-L457 VanDerWaalsContact O-N 3.15Å
455	G	95.2	Very high	98	Very high	13 Å²	13	5.3 Å²	5.3	13%	0.134	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-126.6	-167.8	0	0	0	0	0	111.5	N347 T349 L457	N347-G455 WeakPolarHBondContact O-CA 3.3Å; T349-G455 PolarHBondContact O-N 2.9Å; G455-L457 VanDerWaalsContact C-N 3.28Å; G455-L457 PolarHBondContact O-N 3.19Å
456	P	96.7	Very high	98.1	Very high	38 Å²	38	3.5 Å²	3.5	25%	0.247	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.4	179.7	33.4	-35.2	0	0	0	114.3	N347 T495 H496 Y497 E498	N347-P456 WeakPolarHBondContact O-CD 3.48Å; P456-T495 HydrophobicContact CB-CG2 3.92Å; P456-H496 WeakPolarHBondContact CB-O 3.5Å; P456-Y497 HydrophobicContact CB-CD1 4.32Å; P456-Y497 WeakPolarHBondContact O-CA 3.42Å; P456-Y497 VanDerWaalsContact O-CD1 3.32Å; P456-Y497 WeakPolarHBondContact O-CD1 3.12Å; P456-E498 PolarHBondContact O-N 2.87Å
457	L	98.5	Very high	98.1	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.005	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.4	178	-176	67.9	0	0	0	110.1	L212 I346 S453 I454 G455 E498 I500	L212-L457 HydrophobicContact CD1-CD2 3.9Å; L212-L457 HydrophobicContact CD2-CD2 3.73Å; L212-L457 HydrophobicContact CG-CD2 4.41Å; I346-L457 HydrophobicContact CG1-CD2 4.4Å; I346-L457 HydrophobicContact CG2-CB 4.21Å; I346-L457 HydrophobicContact CG2-CD2 4.47Å; S453-L457 CarbonylContact C-O 3.55Å; S453-L457 WeakPolarHBondContact CA-O 3.49Å; I454-L457 PolarHBondContact N-O 3.27Å; I454-L457 WeakPolarHBondContact O-CB 3.39Å; I454-L457 PolarHBondContact O-N 2.87Å; I454-L457 VanDerWaalsContact O-N 3.15Å; G455-L457 VanDerWaalsContact C-N 3.28Å; G455-L457 PolarHBondContact O-N 3.19Å; L457-E498 HydrophobicContact CD1-CB 3.94Å; L457-I500 HydrophobicContact CD1-CD1 3.89Å; L457-I500 HydrophobicContact CD1-CG1 4Å; L457-I500 HydrophobicContact CD2-CD1 3.98Å; L457-I500 HydrophobicContact CG-CD1 4.25Å
458	L	98.8	Very high	98.2	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.1	178.1	-51.9	-177	0	0	0	110.1	I451 V478 A482 Y497 E498 V499 I500 L549	I451-L458 HydrophobicContact CG2-CB 4.03Å; I451-L458 HydrophobicContact CG2-CD2 4.43Å; L458-V478 HydrophobicContact CD1-CG1 3.86Å; L458-A482 HydrophobicContact CD1-CB 3.82Å; L458-Y497 HydrophobicContact CD1-CD1 3.99Å; L458-Y497 HydrophobicContact CD2-CD1 3.98Å; L458-Y497 HydrophobicContact CD2-CE1 4.27Å; L458-Y497 HydrophobicContact CG-CD1 3.95Å; L458-E498 PolarHBondContact N-O 3.27Å; L458-V499 HydrophobicContact CB-CG2 4.12Å; L458-V499 HydrophobicContact CD1-CG2 4.31Å; L458-V499 CarbonylContact O-C 3.17Å; L458-V499 WeakPolarHBondContact O-CA 3.48Å; L458-I500 PolarHBondContact O-N 3.17Å; L458-L549 HydrophobicContact CD2-CD2 3.85Å
459	I	98.9	Very high	98.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.8	173.2	-55.4	171.3	0	0	0	107.7	I82 L117 L212 W227 I451 V452 I500	I82-I459 HydrophobicContact CD1-CD1 3.51Å; L117-I459 HydrophobicContact CD1-CG2 4.06Å; L212-I459 HydrophobicContact CD1-CD1 4.44Å; W227-I459 HydrophobicContact CH2-CD1 4.26Å; W227-I459 HydrophobicContact CZ2-CD1 4.33Å; W227-I459 HydrophobicContact CZ2-CG2 4.39Å; I451-I459 WeakPolarHBondContact CA-O 3.39Å; V452-I459 HydrophobicContact CG2-CB 3.78Å; V452-I459 HydrophobicContact CG2-CD1 4.26Å; V452-I459 HydrophobicContact CG2-CG1 4.45Å; V452-I459 HydrophobicContact CG2-CG2 4.4Å; V452-I459 PolarHBondContact N-O 3.42Å; V452-I459 PolarHBondContact O-N 3.03Å; I459-I500 WeakPolarHBondContact CA-O 3.46Å; I459-I500 HydrophobicContact CG1-CB 4.22Å; I459-I500 HydrophobicContact CG1-CD1 4.46Å; I459-I500 HydrophobicContact CG2-CG2 4.45Å
460	V	98.9	Very high	98.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.1	-175.4	-177.4	0	0	0	0	109.5	I451 L462 I474 V478 V499 I500 L501 S502 F542	I451-V460 HydrophobicContact CD1-CG2 4.3Å; I451-V460 HydrophobicContact CG1-CG1 4.48Å; I451-V460 HydrophobicContact CG1-CG2 4.21Å; V460-L462 HydrophobicContact CG1-CD2 3.83Å; V460-L462 PolarHBondContact O-N 3.37Å; V460-I474 HydrophobicContact CG1-CG2 4.38Å; V460-V478 HydrophobicContact CG2-CG1 4.12Å; V460-V478 HydrophobicContact CG2-CG2 4.41Å; V460-V499 HydrophobicContact CG2-CG1 3.76Å; V460-I500 PolarHBondContact N-O 2.74Å; V460-L501 HydrophobicContact CB-CD2 4.1Å; V460-S502 PolarHBondContact O-N 3.33Å; V460-F542 HydrophobicContact CG1-CB 4.49Å; V460-F542 HydrophobicContact CG1-CD1 3.47Å; V460-F542 VanDerWaalsContact CG1-CD1 3.47Å; V460-F542 HydrophobicContact CG1-CD2 4.15Å; V460-F542 HydrophobicContact CG1-CE1 3.52Å; V460-F542 HydrophobicContact CG1-CE2 4.2Å; V460-F542 HydrophobicContact CG1-CG 3.8Å; V460-F542 HydrophobicContact CG1-CZ 3.9Å
461	A	98.9	Very high	98.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	101.4	-179.6	0	0	0	0	0	110.4	L117 Q450 P463 F542	L117-A461 HydrophobicContact CD1-CB 3.77Å; L117-A461 HydrophobicContact CG-CB 3.94Å; Q450-A461 HydrophobicContact CB-CB 3.91Å; Q450-A461 HydrophobicContact CG-CB 4.48Å; Q450-A461 WeakPolarHBondContact O-CB 3.17Å; Q450-A461 PolarHBondContact O-N 2.94Å; A461-P463 WeakPolarHBondContact O-CD 3.47Å; A461-F542 VanDerWaalsContact O-CZ 3.32Å; A461-F542 WeakPolarHBondContact O-CZ 3.31Å
462	L	98.8	Very high	98.4	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.022	C	C	.	.			trans	-86.1	118	-176.9	-60.3	-177.5	0	0	0	111.1	V460 G464 F466 I474 L501 S502 L504 S505 F542	V460-L462 HydrophobicContact CG1-CD2 3.83Å; V460-L462 PolarHBondContact O-N 3.37Å; L462-G464 PolarHBondContact O-N 2.83Å; L462-F466 HydrophobicContact CB-CD2 3.77Å; L462-F466 HydrophobicContact CB-CE2 3.74Å; L462-F466 HydrophobicContact CD1-CB 4.11Å; L462-F466 HydrophobicContact CD1-CD1 4.43Å; L462-F466 HydrophobicContact CD1-CD2 3.88Å; L462-F466 HydrophobicContact CD1-CE2 4.44Å; L462-F466 HydrophobicContact CD1-CG 3.89Å; L462-F466 HydrophobicContact CD2-CD1 4.47Å; L462-F466 HydrophobicContact CD2-CD2 4.29Å; L462-F466 HydrophobicContact CD2-CE1 4.22Å; L462-F466 HydrophobicContact CD2-CE2 4.05Å; L462-F466 HydrophobicContact CD2-CZ 4.01Å; L462-F466 HydrophobicContact CG-CD2 4.21Å; L462-F466 HydrophobicContact CG-CE2 4.3Å; L462-I474 HydrophobicContact CD2-CG2 4.26Å; L462-L501 HydrophobicContact CD1-CB 3.85Å; L462-L501 HydrophobicContact CD1-CD1 4.25Å; L462-L501 HydrophobicContact CD1-CD2 4.33Å; L462-L501 HydrophobicContact CD1-CG 4.36Å; L462-L501 HydrophobicContact CD2-CD2 4.49Å; L462-S502 PolarHBondContact N-O 2.78Å; L462-L504 PolarHBondContact O-N 3.02Å; L462-L504 VanDerWaalsContact O-N 3.11Å; L462-S505 PolarHBondContact O-N 3.25Å; L462-F542 HydrophobicContact CD2-CE2 3.91Å; L462-F542 HydrophobicContact CD2-CZ 4.22Å
463	P	98.5	Very high	98.4	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.023	C	C	.	.	S	Bend	trans	-82.1	42.9	-173.6	34.4	-37.6	0	0	0	114.1	A461 S505 V507 S509 Y538	A461-P463 WeakPolarHBondContact O-CD 3.47Å; P463-S505 WeakPolarHBondContact CA-O 3.38Å; P463-V507 CarbonylContact C-O 3.56Å; P463-V507 VanDerWaalsContact CA-O 3.24Å; P463-V507 WeakPolarHBondContact CA-O 3.26Å; P463-V507 HydrophobicContact CB-CG1 3.79Å; P463-V507 WeakPolarHBondContact CB-O 3.26Å; P463-S509 WeakPolarHBondContact O-CB 3.37Å; P463-S509 PolarHBondContact O-N 3.03Å; P463-S509 PolarHBondContact O-OG 3.31Å; P463-Y538 HydrophobicContact CG-CE1 3.63Å
464	G	98.5	Very high	98.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	167.3	-163.6	-176.5	0	0	0	0	0	112.1	L462 L504 S510	L462-G464 PolarHBondContact O-N 2.83Å; G464-L504 PolarHBondContact O-N 3.22Å; G464-S510 WeakPolarHBondContact CA-O 3.42Å
465	E	98.9	Very high	98.5	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	93.6	-176.1	-64.5	-178.6	-119.9	0	0	110.3	H122 H231 L504 Y508 S510 Y511 I512	H122-E465 IonicContact CD2-OE2 3.65Å; H122-E465 VanDerWaalsContact CE1-CD 3.48Å; H122-E465 IonicContact CE1-OE1 3.41Å; H122-E465 PolarHBondContact CE1-OE1 3.11Å; H122-E465 IonicContact CE1-OE2 3.48Å; H122-E465 IonicContact NE2-OE1 3.95Å; H122-E465 PolarHBondContact NE2-OE1 2.61Å; H122-E465 IonicContact NE2-OE2 2.64Å; H122-E465 PolarHBondContact NE2-OE2 3.3Å; H231-E465 IonicContact CD2-OE2 4Å; H231-E465 IonicContact CE1-OE2 3.3Å; H231-E465 PolarHBondContact CE1-OE2 3.41Å; H231-E465 IonicContact NE2-OE2 3.75Å; H231-E465 PolarHBondContact NE2-OE2 3.16Å; E465-L504 HydrophobicContact CG-CD2 4.4Å; E465-L504 HydrophobicContact CG-CG 4.32Å; E465-Y508 HydrophobicContact CG-CE2 4.1Å; E465-Y508 WeakPolarHBondContact OE1-CE2 3.35Å; E465-Y508 PolarHBondContact OE1-OH 3Å; E465-S510 PolarHBondContact N-O 3.49Å; E465-Y511 HydrophobicContact CB-CD1 3.57Å; E465-Y511 HydrophobicContact CB-CE1 3.61Å; E465-Y511 HydrophobicContact CB-CG 4.11Å; E465-Y511 VanDerWaalsContact CD-CE1 3.48Å; E465-Y511 HydrophobicContact CG-CE1 4.2Å; E465-Y511 CarbonylContact O-C 3.34Å; E465-Y511 WeakPolarHBondContact O-CA 3.42Å; E465-Y511 PolarHBondContact OE1-OH 3.41Å; E465-Y511 WeakPolarHBondContact OE2-CE1 3.13Å; E465-Y511 PolarHBondContact OE2-OH 3.23Å; E465-I512 PolarHBondContact O-N 3.18Å
466	F	98.9	Very high	98.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.3	179.5	-76.6	-118.6	0	0	0	109.5	N277 E278 G279 L462 I474 I512 L535 Y538	N277-F466 CarbonylContact C-O 3.49Å; N277-F466 VanDerWaalsContact CA-O 3.27Å; N277-F466 WeakPolarHBondContact CA-O 3.49Å; N277-F466 HydrophobicContact CB-CB 4.14Å; E278-F466 PolarHBondContact N-O 3.23Å; G279-F466 WeakPolarHBondContact CA-O 3.14Å; G279-F466 PolarHBondContact N-O 3.22Å; L462-F466 HydrophobicContact CB-CD2 3.77Å; L462-F466 HydrophobicContact CB-CE2 3.74Å; L462-F466 HydrophobicContact CD1-CB 4.11Å; L462-F466 HydrophobicContact CD1-CD1 4.43Å; L462-F466 HydrophobicContact CD1-CD2 3.88Å; L462-F466 HydrophobicContact CD1-CE2 4.44Å; L462-F466 HydrophobicContact CD1-CG 3.89Å; L462-F466 HydrophobicContact CD2-CD1 4.47Å; L462-F466 HydrophobicContact CD2-CD2 4.29Å; L462-F466 HydrophobicContact CD2-CE1 4.22Å; L462-F466 HydrophobicContact CD2-CE2 4.05Å; L462-F466 HydrophobicContact CD2-CZ 4.01Å; L462-F466 HydrophobicContact CG-CD2 4.21Å; L462-F466 HydrophobicContact CG-CE2 4.3Å; F466-I474 HydrophobicContact CD1-CG1 4.04Å; F466-I474 HydrophobicContact CE1-CD1 4.05Å; F466-I474 HydrophobicContact CE1-CG1 3.83Å; F466-I512 HydrophobicContact CD1-CB 3.93Å; F466-I512 HydrophobicContact CD1-CG1 4.48Å; F466-I512 HydrophobicContact CD1-CG2 3.81Å; F466-I512 HydrophobicContact CD2-CB 3.99Å; F466-I512 HydrophobicContact CD2-CD1 3.57Å; F466-I512 HydrophobicContact CD2-CG1 3.94Å; F466-I512 HydrophobicContact CE1-CB 4.03Å; F466-I512 HydrophobicContact CE1-CG1 4.19Å; F466-I512 HydrophobicContact CE1-CG2 3.7Å; F466-I512 HydrophobicContact CE2-CB 4.08Å; F466-I512 HydrophobicContact CE2-CD1 3.37Å; F466-I512 HydrophobicContact CE2-CG1 3.61Å; F466-I512 HydrophobicContact CG-CB 3.9Å; F466-I512 HydrophobicContact CG-CD1 4.37Å; F466-I512 HydrophobicContact CG-CG1 4.36Å; F466-I512 HydrophobicContact CG-CG2 4.31Å; F466-I512 HydrophobicContact CZ-CB 4.1Å; F466-I512 HydrophobicContact CZ-CD1 4.05Å; F466-I512 HydrophobicContact CZ-CG1 3.75Å; F466-I512 HydrophobicContact CZ-CG2 4.11Å; F466-L535 HydrophobicContact CD1-CD1 4.21Å; F466-L535 HydrophobicContact CE1-CD1 4.1Å; F466-Y538 HydrophobicContact CE1-CD2 4.12Å; F466-Y538 HydrophobicContact CE1-CG 4.25Å; F466-Y538 HydrophobicContact CZ-CD1 4.35Å; F466-Y538 AromaticContact CZ-CD2 3.6Å; F466-Y538 HydrophobicContact CZ-CD2 3.6Å; F466-Y538 HydrophobicContact CZ-CE2 4.07Å; F466-Y538 AromaticContact CZ-CG 3.76Å; F466-Y538 HydrophobicContact CZ-CG 3.76Å
467	T	98.9	Very high	98.7	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.012	3%	0.033	C	C	.	.			trans	-62.9	165.5	171.9	62.7	0	0	0	0	111.3	D280 M469 S470 G471 I512 A513 E517 E524	D280-T467 HydrophobicContact CB-CG2 4.21Å; T467-M469 PolarHBondContact O-N 3.08Å; T467-S470 WeakPolarHBondContact O-CB 3.27Å; T467-S470 PolarHBondContact O-N 3.29Å; T467-S470 VanDerWaalsContact O-N 3.16Å; T467-S470 VanDerWaalsContact OG1-CB 3.26Å; T467-S470 WeakPolarHBondContact OG1-CB 3.14Å; T467-S470 PolarHBondContact OG1-N 3.33Å; T467-S470 PolarHBondContact OG1-OG 3.5Å; T467-G471 PolarHBondContact O-N 3.44Å; T467-I512 PolarHBondContact N-O 2.85Å; T467-A513 HydrophobicContact CG2-CB 4.23Å; T467-E517 WeakPolarHBondContact CB-OE2 3.07Å; T467-E517 WeakPolarHBondContact CG2-OE2 3.37Å; T467-E517 PolarHBondContact OG1-OE2 2.96Å; T467-E524 HydrophobicContact CG2-CB 4.06Å; T467-E524 HydrophobicContact CG2-CG 4.28Å
468	T	98.9	Very high	98.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-50.5	-54.2	179.2	-65.5	0	0	0	0	111.4	Y190 N204 N277 D280 V281 G471 R472	Y190-T468 HydrophobicContact CE2-CG2 4.27Å; N204-T468 PolarHBondContact O-OG1 2.02Å; N277-T468 PolarHBondContact ND2-O 2.96Å; D280-T468 WeakPolarHBondContact OD1-CB 3.48Å; D280-T468 PolarHBondContact OD1-N 3.16Å; D280-T468 PolarHBondContact OD1-OG1 2.85Å; V281-T468 WeakPolarHBondContact CG2-OG1 3.48Å; T468-G471 PolarHBondContact O-N 3.49Å; T468-R472 WeakPolarHBondContact O-CG 3.35Å; T468-R472 PolarHBondContact O-N 3.23Å; T468-R472 VanDerWaalsContact O-N 3.13Å
469	M	98.8	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-72	-32.4	-178.8	-165.5	59.8	73.4	0	0	112.8	Y190 N193 E197 Y201 T467 G471 R472 R473 T514 E517	Y190-M469 HydrophobicContact CE2-CE 3.75Å; N193-M469 HydrophobicContact CB-CE 4.49Å; N193-M469 HydrophobicContact CB-CG 4.34Å; N193-M469 WeakPolarHBondContact ND2-CB 3.37Å; E197-M469 HydrophobicContact CG-CE 4.26Å; E197-M469 HydrophobicContact CG-SD 3.9Å; Y201-M469 HydrophobicContact CD2-CE 3.92Å; Y201-M469 HydrophobicContact CD2-SD 4.45Å; Y201-M469 HydrophobicContact CE2-CE 3.81Å; Y201-M469 HydrophobicContact CE2-SD 3.78Å; T467-M469 PolarHBondContact O-N 3.08Å; M469-G471 PolarHBondContact O-N 2.87Å; M469-R472 PolarHBondContact O-N 3Å; M469-R472 HydrophobicContact SD-CB 4.13Å; M469-R473 WeakPolarHBondContact O-CG 3.02Å; M469-R473 PolarHBondContact O-N 2.9Å; M469-T514 HydrophobicContact CB-CG2 3.8Å; M469-T514 HydrophobicContact CG-CG2 3.94Å; M469-E517 WeakPolarHBondContact CB-OE1 3.06Å
470	S	98.9	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.9	-47.6	173.1	-66	0	0	0	0	111.8	T467 R473 I474 I512 A513 T514	T467-S470 WeakPolarHBondContact O-CB 3.27Å; T467-S470 PolarHBondContact O-N 3.29Å; T467-S470 VanDerWaalsContact O-N 3.16Å; T467-S470 VanDerWaalsContact OG1-CB 3.26Å; T467-S470 WeakPolarHBondContact OG1-CB 3.14Å; T467-S470 PolarHBondContact OG1-N 3.33Å; T467-S470 PolarHBondContact OG1-OG 3.5Å; S470-R473 PolarHBondContact O-N 3.44Å; S470-I474 WeakPolarHBondContact O-CG1 3.43Å; S470-I474 PolarHBondContact O-N 2.95Å; S470-I474 VanDerWaalsContact O-N 3.1Å; S470-I512 WeakPolarHBondContact CB-O 3.4Å; S470-I512 PolarHBondContact OG-O 3.14Å; S470-A513 VanDerWaalsContact OG-C 3.23Å; S470-T514 PolarHBondContact OG-N 3.14Å; S470-T514 VanDerWaalsContact OG-N 3.14Å
471	G	98.8	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62	-43.1	175.7	0	0	0	0	0	112.8	T467 T468 M469 R473 I474 R475 L501	T467-G471 PolarHBondContact O-N 3.44Å; T468-G471 PolarHBondContact O-N 3.49Å; M469-G471 PolarHBondContact O-N 2.87Å; G471-R473 PolarHBondContact O-N 3.39Å; G471-I474 PolarHBondContact O-N 3.24Å; G471-R475 WeakPolarHBondContact O-CB 3.31Å; G471-R475 PolarHBondContact O-N 3.24Å; G471-L501 WeakPolarHBondContact O-CD1 3.23Å
472	R	98.7	Very high	98.7	Very high	6 Å²	6	15.5 Å²	15.5	2%	0.023	7%	0.074	C	C	.	.	H	α-helix	trans	-57.2	-47.1	176.2	-71.1	165.7	179.2	178.6	3	112.3	Y190 Y201 E203 V205 D206 T468 M469 I474 R475 E476	Y190-R472 PolarHBondContact OH-NH1 2.97Å; Y201-R472 VanDerWaalsContact CD2-NH1 3.29Å; Y201-R472 HydrophobicContact CE1-CB 4.42Å; Y201-R472 HydrophobicContact CE1-CG 4.04Å; E203-R472 PolarHBondContact O-NH1 3.4Å; E203-R472 PolarHBondContact O-NH2 3.02Å; V205-R472 PolarHBondContact O-NH2 3.31Å; D206-R472 IonicContact OD1-CZ 2.69Å; D206-R472 VanDerWaalsContact OD1-CZ 3.3Å; D206-R472 IonicContact OD1-NE 3.7Å; D206-R472 PolarHBondContact OD1-NE 3.09Å; D206-R472 IonicContact OD1-NH2 3.68Å; D206-R472 PolarHBondContact OD1-NH2 3.29Å; T468-R472 WeakPolarHBondContact O-CG 3.35Å; T468-R472 PolarHBondContact O-N 3.23Å; T468-R472 VanDerWaalsContact O-N 3.13Å; M469-R472 PolarHBondContact O-N 3Å; M469-R472 HydrophobicContact SD-CB 4.13Å; R472-I474 PolarHBondContact O-N 2.94Å; R472-R475 PolarHBondContact O-N 3.44Å; R472-E476 WeakPolarHBondContact O-CG 3.15Å; R472-E476 PolarHBondContact O-N 3.29Å
473	R	98.6	Very high	98.6	Very high	8 Å²	8	16.7 Å²	16.7	3%	0.03	8%	0.08	C	C	.	.	H	α-helix	trans	-63.4	-39.8	177.9	-72.4	176.1	174.7	-173.2	3.9	112.7	E197 M469 S470 G471 A477 E516	E197-R473 IonicContact OE1-CZ 3.47Å; E197-R473 IonicContact OE1-NE 2.77Å; E197-R473 PolarHBondContact OE1-NE 3.49Å; E197-R473 IonicContact OE1-NH2 3.34Å; E197-R473 IonicContact OE2-CZ 3.65Å; E197-R473 VanDerWaalsContact OE2-CZ 3.31Å; E197-R473 IonicContact OE2-NE 3.63Å; E197-R473 PolarHBondContact OE2-NE 2.72Å; E197-R473 VanDerWaalsContact OE2-NE 3.14Å; E197-R473 IonicContact OE2-NH2 3.61Å; E197-R473 PolarHBondContact OE2-NH2 2.83Å; M469-R473 WeakPolarHBondContact O-CG 3.02Å; M469-R473 PolarHBondContact O-N 2.9Å; S470-R473 PolarHBondContact O-N 3.44Å; G471-R473 PolarHBondContact O-N 3.39Å; R473-A477 VanDerWaalsContact O-CB 3.32Å; R473-A477 WeakPolarHBondContact O-CB 3.12Å; R473-A477 PolarHBondContact O-N 3.39Å; R473-A477 VanDerWaalsContact O-N 3.09Å; R473-E516 IonicContact CZ-OE1 3.27Å; R473-E516 IonicContact CZ-OE2 3.64Å; R473-E516 IonicContact NH1-OE1 2.61Å; R473-E516 PolarHBondContact NH1-OE1 3.49Å; R473-E516 IonicContact NH1-OE2 3.73Å; R473-E516 PolarHBondContact NH1-OE2 2.88Å; R473-E516 VanDerWaalsContact NH2-CD 3.3Å; R473-E516 IonicContact NH2-OE1 3.12Å; R473-E516 PolarHBondContact NH2-OE1 3.23Å; R473-E516 IonicContact NH2-OE2 2.92Å; R473-E516 PolarHBondContact NH2-OE2 2.92Å
474	I	98.7	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.1	-49.7	174.3	-66.1	-75.3	0	0	0	110.6	V460 L462 F466 S470 G471 R472 E476 A477 V478 L501 L535 V539 F542	V460-I474 HydrophobicContact CG1-CG2 4.38Å; L462-I474 HydrophobicContact CD2-CG2 4.26Å; F466-I474 HydrophobicContact CD1-CG1 4.04Å; F466-I474 HydrophobicContact CE1-CD1 4.05Å; F466-I474 HydrophobicContact CE1-CG1 3.83Å; S470-I474 WeakPolarHBondContact O-CG1 3.43Å; S470-I474 PolarHBondContact O-N 2.95Å; S470-I474 VanDerWaalsContact O-N 3.1Å; G471-I474 PolarHBondContact O-N 3.24Å; R472-I474 PolarHBondContact O-N 2.94Å; I474-E476 VanDerWaalsContact C-N 3.34Å; I474-E476 PolarHBondContact O-N 3.19Å; I474-A477 PolarHBondContact O-N 3.4Å; I474-V478 HydrophobicContact CG2-CG2 4.2Å; I474-V478 WeakPolarHBondContact O-CB 3.23Å; I474-V478 VanDerWaalsContact O-CG2 3.26Å; I474-V478 WeakPolarHBondContact O-CG2 3.24Å; I474-V478 PolarHBondContact O-N 3.37Å; I474-L501 HydrophobicContact CG2-CD2 3.95Å; I474-L535 HydrophobicContact CD1-CD1 3.99Å; I474-L535 HydrophobicContact CG1-CD1 3.84Å; I474-V539 HydrophobicContact CD1-CB 4.21Å; I474-V539 HydrophobicContact CD1-CG2 3.55Å; I474-V539 HydrophobicContact CG1-CG2 4.21Å; I474-F542 HydrophobicContact CD1-CD2 4.07Å; I474-F542 HydrophobicContact CG2-CD2 4.34Å
475	R	98.8	Very high	98.5	Very high	58 Å²	58	19.1 Å²	19.1	22%	0.219	9%	0.093	C	C	.	.	H	α-helix	trans	-56	-49.2	-179	-169.6	-175.6	-62.3	115.1	-2.2	111.1	D206 N277 G471 R472 I479 V499 L501	D206-R475 IonicContact OD2-CZ 2.74Å; D206-R475 IonicContact OD2-NH1 2.65Å; D206-R475 PolarHBondContact OD2-NH1 3.38Å; D206-R475 VanDerWaalsContact OD2-NH1 3.14Å; D206-R475 IonicContact OD2-NH2 2.75Å; D206-R475 PolarHBondContact OD2-NH2 2.87Å; N277-R475 PolarHBondContact OD1-NH2 2.96Å; G471-R475 WeakPolarHBondContact O-CB 3.31Å; G471-R475 PolarHBondContact O-N 3.24Å; R472-R475 PolarHBondContact O-N 3.44Å; R475-I479 HydrophobicContact CG-CD1 4.06Å; R475-I479 WeakPolarHBondContact O-CB 3.29Å; R475-I479 VanDerWaalsContact O-CG1 3.22Å; R475-I479 WeakPolarHBondContact O-CG1 3.29Å; R475-I479 PolarHBondContact O-N 3.03Å; R475-V499 HydrophobicContact CB-CG1 4.38Å; R475-V499 HydrophobicContact CG-CB 3.85Å; R475-V499 HydrophobicContact CG-CG1 3.92Å; R475-L501 HydrophobicContact CB-CD1 4.47Å
476	E	98.3	Very high	98.5	Very high	61 Å²	61	19.6 Å²	19.6	29%	0.285	10%	0.096	S	C	.	.	H	α-helix	trans	-63.7	-48.1	180	-71.7	177.7	-172.3	0	0	112.4	R200 Y201 R472 I474 V478 I479 E480	R200-E476 IonicContact CZ-OE1 2.64Å; R200-E476 IonicContact CZ-OE2 2.89Å; R200-E476 VanDerWaalsContact CZ-OE2 3.28Å; R200-E476 IonicContact NH1-OE1 3.28Å; R200-E476 IonicContact NH1-OE2 2.94Å; R200-E476 PolarHBondContact NH1-OE2 2.85Å; R200-E476 IonicContact NH2-OE1 3.72Å; R200-E476 PolarHBondContact NH2-OE1 3.36Å; R200-E476 IonicContact NH2-OE2 3.46Å; R200-E476 PolarHBondContact NH2-OE2 2.86Å; Y201-E476 PolarHBondContact OH-OE1 3.16Å; R472-E476 WeakPolarHBondContact O-CG 3.15Å; R472-E476 PolarHBondContact O-N 3.29Å; I474-E476 VanDerWaalsContact C-N 3.34Å; I474-E476 PolarHBondContact O-N 3.19Å; E476-V478 PolarHBondContact O-N 2.93Å; E476-I479 PolarHBondContact O-N 3.32Å; E476-E480 WeakPolarHBondContact O-CB 3.3Å; E476-E480 PolarHBondContact O-N 3.48Å
477	A	98.5	Very high	98.4	Very high	15 Å²	15	25 Å²	25	12%	0.124	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-39.2	-179.2	0	0	0	0	0	112.6	R473 I474 E480 A481 V539	R473-A477 VanDerWaalsContact O-CB 3.32Å; R473-A477 WeakPolarHBondContact O-CB 3.12Å; R473-A477 PolarHBondContact O-N 3.39Å; R473-A477 VanDerWaalsContact O-N 3.09Å; I474-A477 PolarHBondContact O-N 3.4Å; A477-E480 PolarHBondContact O-N 3.24Å; A477-A481 WeakPolarHBondContact O-CB 3.4Å; A477-A481 PolarHBondContact O-N 2.61Å; A477-V539 HydrophobicContact CB-CG1 3.54Å
478	V	98.8	Very high	98.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-42.8	176.3	170.9	0	0	0	0	111.3	L458 V460 I474 E476 A481 A482 V499 F542 A546	L458-V478 HydrophobicContact CD1-CG1 3.86Å; V460-V478 HydrophobicContact CG2-CG1 4.12Å; V460-V478 HydrophobicContact CG2-CG2 4.41Å; I474-V478 HydrophobicContact CG2-CG2 4.2Å; I474-V478 WeakPolarHBondContact O-CB 3.23Å; I474-V478 VanDerWaalsContact O-CG2 3.26Å; I474-V478 WeakPolarHBondContact O-CG2 3.24Å; I474-V478 PolarHBondContact O-N 3.37Å; E476-V478 PolarHBondContact O-N 2.93Å; V478-A481 PolarHBondContact O-N 3Å; V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.36Å; V478-A482 PolarHBondContact O-N 3.35Å; V478-V499 HydrophobicContact CB-CG2 3.97Å; V478-V499 HydrophobicContact CG1-CG2 3.42Å; V478-V499 VanDerWaalsContact CG1-CG2 3.42Å; V478-F542 HydrophobicContact CG2-CB 3.66Å; V478-A546 HydrophobicContact CG1-CB 3.85Å
479	I	98.7	Very high	98	Very high	43 Å²	43	34.2 Å²	34.2	22%	0.221	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-48.1	176	-72	169.8	0	0	0	110.5	R475 E476 A482 N483 V499	R475-I479 HydrophobicContact CG-CD1 4.06Å; R475-I479 WeakPolarHBondContact O-CB 3.29Å; R475-I479 VanDerWaalsContact O-CG1 3.22Å; R475-I479 WeakPolarHBondContact O-CG1 3.29Å; R475-I479 PolarHBondContact O-N 3.03Å; E476-I479 PolarHBondContact O-N 3.32Å; I479-A482 PolarHBondContact O-N 3.21Å; I479-N483 WeakPolarHBondContact CG2-ND2 3.25Å; I479-N483 WeakPolarHBondContact O-CB 3.49Å; I479-N483 PolarHBondContact O-N 3.06Å; I479-N483 PolarHBondContact O-ND2 3.18Å; I479-V499 HydrophobicContact CD1-CB 4.3Å; I479-V499 HydrophobicContact CD1-CG2 4.33Å; I479-V499 HydrophobicContact CG1-CB 4.04Å; I479-V499 HydrophobicContact CG1-CG2 3.54Å
480	E	98.2	Very high	97.9	Very high	126 Å²	126	38 Å²	38	59%	0.589	19%	0.186	S	C	*	.	H	α-helix	trans	-58.2	-52.2	177.4	-177.4	177.6	-178.1	0	0	111	E476 A477 A482 N483 D484	E476-E480 WeakPolarHBondContact O-CB 3.3Å; E476-E480 PolarHBondContact O-N 3.48Å; A477-E480 PolarHBondContact O-N 3.24Å; E480-A482 VanDerWaalsContact C-N 3.35Å; E480-A482 PolarHBondContact O-N 2.92Å; E480-N483 PolarHBondContact O-N 3.03Å; E480-D484 WeakPolarHBondContact O-CB 3.29Å; E480-D484 PolarHBondContact O-N 3.35Å
481	A	98.5	Very high	97.6	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-41.7	-178.9	0	0	0	0	0	112.7	A477 V478 A485 A546 R547	A477-A481 WeakPolarHBondContact O-CB 3.4Å; A477-A481 PolarHBondContact O-N 2.61Å; V478-A481 PolarHBondContact O-N 3Å; A481-A485 WeakPolarHBondContact O-CB 3.22Å; A481-A485 PolarHBondContact O-N 2.94Å; A481-A546 HydrophobicContact CB-CB 4.44Å; A481-R547 HydrophobicContact CB-CG 3.91Å; A481-R547 WeakPolarHBondContact O-CG 3.42Å
482	A	98.5	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.8	-45	177.3	0	0	0	0	0	112.6	L458 V478 I479 E480 D484 A485 S486 Y497 A546 V550	L458-A482 HydrophobicContact CD1-CB 3.82Å; V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.36Å; V478-A482 PolarHBondContact O-N 3.35Å; I479-A482 PolarHBondContact O-N 3.21Å; E480-A482 VanDerWaalsContact C-N 3.35Å; E480-A482 PolarHBondContact O-N 2.92Å; A482-D484 VanDerWaalsContact C-N 3.34Å; A482-D484 PolarHBondContact O-N 3.25Å; A482-A485 PolarHBondContact O-N 2.87Å; A482-S486 WeakPolarHBondContact O-CB 3.25Å; A482-S486 PolarHBondContact O-N 3Å; A482-Y497 HydrophobicContact CB-CD1 3.91Å; A482-Y497 HydrophobicContact CB-CD2 3.95Å; A482-Y497 HydrophobicContact CB-CE1 4.45Å; A482-Y497 HydrophobicContact CB-CG 3.62Å; A482-A546 HydrophobicContact CB-CB 4.44Å; A482-V550 HydrophobicContact CB-CG2 3.98Å
483	N	97.8	Very high	97.1	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.134	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-40.9	178	-73.4	-36	0	0	0	111.6	I479 E480 S486 K487 T495 Y497	I479-N483 WeakPolarHBondContact CG2-ND2 3.25Å; I479-N483 WeakPolarHBondContact O-CB 3.49Å; I479-N483 PolarHBondContact O-N 3.06Å; I479-N483 PolarHBondContact O-ND2 3.18Å; E480-N483 PolarHBondContact O-N 3.03Å; N483-S486 WeakPolarHBondContact O-CB 3.42Å; N483-S486 PolarHBondContact O-N 2.9Å; N483-K487 WeakPolarHBondContact O-CG 3.48Å; N483-K487 PolarHBondContact O-N 3.25Å; N483-K487 VanDerWaalsContact O-N 3.09Å; N483-T495 PolarHBondContact OD1-O 2.85Å; N483-Y497 WeakPolarHBondContact OD1-CD2 3.39Å; N483-Y497 PolarHBondContact OD1-N 2.83Å; N483-Y497 VanDerWaalsContact OD1-N 3.08Å
484	D	97.4	Very high	96.8	Very high	51 Å²	51	54.7 Å²	54.7	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-48.3	176.1	-75.1	-10.2	0	0	0	111.8	E480 A482 S486 K487 E488 R547	E480-D484 WeakPolarHBondContact O-CB 3.29Å; E480-D484 PolarHBondContact O-N 3.35Å; A482-D484 VanDerWaalsContact C-N 3.34Å; A482-D484 PolarHBondContact O-N 3.25Å; D484-S486 PolarHBondContact O-N 3.17Å; D484-K487 PolarHBondContact O-N 2.84Å; D484-K487 VanDerWaalsContact O-N 3.12Å; D484-E488 WeakPolarHBondContact O-CG 3.4Å; D484-E488 PolarHBondContact O-N 2.87Å; D484-R547 IonicContact OD2-NH2 3.56Å; D484-R547 PolarHBondContact OD2-NH2 2.76Å
485	A	97.8	Very high	96.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-36.5	175.2	0	0	0	0	0	112.3	A481 A482 E488 N489 R547 V550 K551	A481-A485 WeakPolarHBondContact O-CB 3.22Å; A481-A485 PolarHBondContact O-N 2.94Å; A482-A485 PolarHBondContact O-N 2.87Å; A485-E488 PolarHBondContact O-N 3.21Å; A485-N489 PolarHBondContact O-N 2.88Å; A485-R547 HydrophobicContact CB-CB 4.31Å; A485-R547 HydrophobicContact CB-CG 4.04Å; A485-V550 HydrophobicContact CB-CB 3.78Å; A485-V550 HydrophobicContact CB-CG1 3.69Å; A485-K551 HydrophobicContact CB-CG 4.1Å
486	S	97.2	Very high	96.3	Very high	10 Å²	10	61 Å²	61	7%	0.07	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-43.2	176.5	-163.3	0	0	0	0	112.1	A482 N483 D484 N489 N490 S493	A482-S486 WeakPolarHBondContact O-CB 3.25Å; A482-S486 PolarHBondContact O-N 3Å; N483-S486 WeakPolarHBondContact O-CB 3.42Å; N483-S486 PolarHBondContact O-N 2.9Å; D484-S486 PolarHBondContact O-N 3.17Å; S486-N489 PolarHBondContact O-N 2.93Å; S486-N490 PolarHBondContact O-N 2.04Å; S486-S493 PolarHBondContact OG-OG 3.24Å
487	K	96.9	Very high	96.3	Very high	114 Å²	114	59.5 Å²	59.5	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-69.1	-33.1	175.6	-69.4	171.3	-174.6	168.2	0	112.6	N483 D484 N490 P491	N483-K487 WeakPolarHBondContact O-CG 3.48Å; N483-K487 PolarHBondContact O-N 3.25Å; N483-K487 VanDerWaalsContact O-N 3.09Å; D484-K487 PolarHBondContact O-N 2.84Å; D484-K487 VanDerWaalsContact O-N 3.12Å; K487-N490 WeakPolarHBondContact CA-O 3.33Å; K487-N490 CarbonylContact O-C 3.58Å; K487-P491 WeakPolarHBondContact O-CA 3.32Å
488	E	96.4	Very high	96.2	Very high	102 Å²	102	61.6 Å²	61.6	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-66.9	-41.3	174	-72.6	170.3	-151.8	0	0	111.7	D484 A485 R547 K551	D484-E488 WeakPolarHBondContact O-CG 3.4Å; D484-E488 PolarHBondContact O-N 2.87Å; A485-E488 PolarHBondContact O-N 3.21Å; E488-R547 IonicContact OE1-CZ 3.62Å; E488-R547 IonicContact OE1-NH1 2.68Å; E488-R547 PolarHBondContact OE1-NH1 3.47Å; E488-R547 IonicContact OE1-NH2 3.31Å; E488-R547 IonicContact OE2-NH1 3.64Å; E488-K551 WeakPolarHBondContact OE2-CE 3.22Å; E488-K551 IonicContact OE2-NZ 3.14Å; E488-K551 PolarHBondContact OE2-NZ 2.85Å
489	N	94.2	Very high	96.2	Very high	93 Å²	93	61.9 Å²	61.9	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-67.9	-41.3	174.5	-76.1	-15.4	0	0	0	112.4	A485 S486 V550	A485-N489 PolarHBondContact O-N 2.88Å; S486-N489 PolarHBondContact O-N 2.93Å; N489-V550 PolarHBondContact ND2-O 3.34Å
490	N	95.2	Very high	96.2	Very high	79 Å²	79	60 Å²	60	42%	0.422	32%	0.324	S	S	.	.			trans	-144.1	105.8	177.3	-179.3	4.3	0	0	0	109.9	S486 K487 S492 S493	S486-N490 PolarHBondContact O-N 2.04Å; K487-N490 WeakPolarHBondContact CA-O 3.33Å; K487-N490 CarbonylContact O-C 3.58Å; N490-S492 PolarHBondContact ND2-OG 2.95Å; N490-S492 PolarHBondContact O-N 3.17Å; N490-S492 PolarHBondContact OD1-N 2.62Å; N490-S492 VanDerWaalsContact OD1-N 3.09Å; N490-S492 PolarHBondContact OD1-OG 3.4Å; N490-S493 WeakPolarHBondContact O-CB 3.15Å; N490-S493 PolarHBondContact O-N 2.93Å
491	P	93.7	Very high	96.3	Very high	116 Å²	116	54.1 Å²	54.1	75%	0.753	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.5	-180	-28.6	36.3	0	0	0	114.9	K487 S493	K487-P491 WeakPolarHBondContact O-CA 3.32Å; P491-S493 VanDerWaalsContact C-N 3.34Å
492	S	94.3	Very high	96.3	Very high	89 Å²	89	53.9 Å²	53.9	62%	0.622	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	8.5	174.4	79.9	0	0	0	0	113.5	N490 T494	N490-S492 PolarHBondContact ND2-OG 2.95Å; N490-S492 PolarHBondContact O-N 3.17Å; N490-S492 PolarHBondContact OD1-N 2.62Å; N490-S492 VanDerWaalsContact OD1-N 3.09Å; N490-S492 PolarHBondContact OD1-OG 3.4Å; S492-T494 PolarHBondContact O-N 2.92Å
493	S	92	Very high	96.3	Very high	23 Å²	23	53.9 Å²	53.9	16%	0.161	30%	0.295	C	S	.	.			trans	-62.2	123.5	179.5	-176.6	0	0	0	0	110.4	S486 N490 P491 T495	S486-S493 PolarHBondContact OG-OG 3.24Å; N490-S493 WeakPolarHBondContact O-CB 3.15Å; N490-S493 PolarHBondContact O-N 2.93Å; P491-S493 VanDerWaalsContact C-N 3.34Å; S493-T495 WeakPolarHBondContact OG-CB 3.42Å; S493-T495 PolarHBondContact OG-N 3.05Å; S493-T495 PolarHBondContact OG-OG1 2.77Å
494	T	92.6	Very high	96.3	Very high	138 Å²	138	52.7 Å²	52.7	85%	0.847	29%	0.289	S	S	*	.			trans	-103.1	11.5	170.1	61.2	0	0	0	0	111.4	S492 H496	S492-T494 PolarHBondContact O-N 2.92Å; T494-H496 PolarHBondContact O-N 3.47Å
495	T	92.4	Very high	96.4	Very high	63 Å²	63	50.3 Å²	50.3	39%	0.387	28%	0.276	S	S	.	.			trans	-64.1	128.9	-180	-57	0	0	0	0	109.5	P456 N483 S493 Y497	P456-T495 HydrophobicContact CB-CG2 3.92Å; N483-T495 PolarHBondContact OD1-O 2.85Å; S493-T495 WeakPolarHBondContact OG-CB 3.42Å; S493-T495 PolarHBondContact OG-N 3.05Å; S493-T495 PolarHBondContact OG-OG1 2.77Å; T495-Y497 HydrophobicContact CG2-CD2 3.98Å; T495-Y497 HydrophobicContact CG2-CE2 3.52Å
496	H	94.6	Very high	96.4	Very high	126 Å²	126	50.3 Å²	50.3	58%	0.583	28%	0.276	S	S	*	.			trans	-109.4	114.3	174.6	-171.9	67.3	0	0	0	109	P456 T494	P456-H496 WeakPolarHBondContact CB-O 3.5Å; T494-H496 PolarHBondContact O-N 3.47Å
497	Y	97.9	Very high	96.5	Very high	30 Å²	30	49.9 Å²	49.9	12%	0.118	27%	0.273	C	S	.	.			trans	-81.9	140.9	177.8	-73.7	-95.6	0	0	0	111.5	P456 L458 A482 N483 T495 V550	P456-Y497 HydrophobicContact CB-CD1 4.32Å; P456-Y497 WeakPolarHBondContact O-CA 3.42Å; P456-Y497 VanDerWaalsContact O-CD1 3.32Å; P456-Y497 WeakPolarHBondContact O-CD1 3.12Å; L458-Y497 HydrophobicContact CD1-CD1 3.99Å; L458-Y497 HydrophobicContact CD2-CD1 3.98Å; L458-Y497 HydrophobicContact CD2-CE1 4.27Å; L458-Y497 HydrophobicContact CG-CD1 3.95Å; A482-Y497 HydrophobicContact CB-CD1 3.91Å; A482-Y497 HydrophobicContact CB-CD2 3.95Å; A482-Y497 HydrophobicContact CB-CE1 4.45Å; A482-Y497 HydrophobicContact CB-CG 3.62Å; N483-Y497 WeakPolarHBondContact OD1-CD2 3.39Å; N483-Y497 PolarHBondContact OD1-N 2.83Å; N483-Y497 VanDerWaalsContact OD1-N 3.08Å; T495-Y497 HydrophobicContact CG2-CD2 3.98Å; T495-Y497 HydrophobicContact CG2-CE2 3.52Å; Y497-V550 HydrophobicContact CD1-CG2 4.45Å; Y497-V550 HydrophobicContact CE1-CG2 3.67Å; Y497-V550 HydrophobicContact CE2-CG2 4.31Å
498	E	98	Very high	96.5	Very high	60 Å²	60	45.1 Å²	45.1	28%	0.28	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.7	175.5	-65.3	-176.6	-115.5	0	0	109.8	K173 P456 L457 L458	K173-E498 VanDerWaalsContact CE-OE2 3.25Å; K173-E498 WeakPolarHBondContact CE-OE2 3.34Å; K173-E498 IonicContact NZ-OE2 3.04Å; K173-E498 PolarHBondContact NZ-OE2 2.92Å; P456-E498 PolarHBondContact O-N 2.87Å; L457-E498 HydrophobicContact CD1-CB 3.94Å; L458-E498 PolarHBondContact N-O 3.27Å
499	V	98.7	Very high	96.6	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.8	-176.4	170	0	0	0	0	111.5	L458 V460 R475 V478 I479 L501	L458-V499 HydrophobicContact CB-CG2 4.12Å; L458-V499 HydrophobicContact CD1-CG2 4.31Å; L458-V499 CarbonylContact O-C 3.17Å; L458-V499 WeakPolarHBondContact O-CA 3.48Å; V460-V499 HydrophobicContact CG2-CG1 3.76Å; R475-V499 HydrophobicContact CB-CG1 4.38Å; R475-V499 HydrophobicContact CG-CB 3.85Å; R475-V499 HydrophobicContact CG-CG1 3.92Å; V478-V499 HydrophobicContact CB-CG2 3.97Å; V478-V499 HydrophobicContact CG1-CG2 3.42Å; V478-V499 VanDerWaalsContact CG1-CG2 3.42Å; I479-V499 HydrophobicContact CD1-CB 4.3Å; I479-V499 HydrophobicContact CD1-CG2 4.33Å; I479-V499 HydrophobicContact CG1-CB 4.04Å; I479-V499 HydrophobicContact CG1-CG2 3.54Å; V499-L501 HydrophobicContact CG1-CD2 3.77Å; V499-L501 HydrophobicContact CG1-CG 4.48Å
500	I	98.8	Very high	96.8	Very high	2 Å²	2	36 Å²	36	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.3	164	-64.8	174.2	0	0	0	107.9	I210 L212 W227 L457 L458 I459 V460	I210-I500 HydrophobicContact CB-CG1 4.49Å; I210-I500 HydrophobicContact CD1-CG1 3.96Å; I210-I500 HydrophobicContact CG2-CD1 3.73Å; I210-I500 HydrophobicContact CG2-CG1 3.97Å; L212-I500 HydrophobicContact CD1-CD1 4.28Å; L212-I500 HydrophobicContact CG-CD1 4.35Å; W227-I500 HydrophobicContact CB-CG2 4.05Å; W227-I500 HydrophobicContact CD2-CG2 3.41Å; W227-I500 VanDerWaalsContact CD2-CG2 3.41Å; W227-I500 HydrophobicContact CE3-CD1 4.15Å; W227-I500 HydrophobicContact CE3-CG2 3.95Å; W227-I500 HydrophobicContact CG-CG2 3.43Å; W227-I500 VanDerWaalsContact CG-CG2 3.43Å; W227-I500 HydrophobicContact CZ2-CG2 4.27Å; W227-I500 HydrophobicContact CZ3-CD1 4.15Å; L457-I500 HydrophobicContact CD1-CD1 3.89Å; L457-I500 HydrophobicContact CD1-CG1 4Å; L457-I500 HydrophobicContact CD2-CD1 3.98Å; L457-I500 HydrophobicContact CG-CD1 4.25Å; L458-I500 PolarHBondContact O-N 3.17Å; I459-I500 WeakPolarHBondContact CA-O 3.46Å; I459-I500 HydrophobicContact CG1-CB 4.22Å; I459-I500 HydrophobicContact CG1-CD1 4.46Å; I459-I500 HydrophobicContact CG2-CG2 4.45Å; V460-I500 PolarHBondContact N-O 2.74Å
501	L	98.9	Very high	97	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.7	172.3	-58.2	-179.2	0	0	0	109	A276 N277 V460 L462 G471 I474 R475 V499	A276-L501 WeakPolarHBondContact CA-O 3.41Å; A276-L501 HydrophobicContact CB-CB 4.49Å; N277-L501 HydrophobicContact CB-CD1 4.11Å; V460-L501 HydrophobicContact CB-CD2 4.1Å; L462-L501 HydrophobicContact CD1-CB 3.85Å; L462-L501 HydrophobicContact CD1-CD1 4.25Å; L462-L501 HydrophobicContact CD1-CD2 4.33Å; L462-L501 HydrophobicContact CD1-CG 4.36Å; L462-L501 HydrophobicContact CD2-CD2 4.49Å; G471-L501 WeakPolarHBondContact O-CD1 3.23Å; I474-L501 HydrophobicContact CG2-CD2 3.95Å; R475-L501 HydrophobicContact CB-CD1 4.47Å; V499-L501 HydrophobicContact CG1-CD2 3.77Å; V499-L501 HydrophobicContact CG1-CG 4.48Å
502	S	98.8	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	100.2	175.6	-157.5	0	0	0	0	109.9	S119 W227 V460 L462 S505	S119-S502 WeakPolarHBondContact CB-OG 3.47Å; S119-S502 PolarHBondContact OG-OG 3.33Å; W227-S502 PolarHBondContact NE1-OG 2.88Å; V460-S502 PolarHBondContact O-N 3.33Å; L462-S502 PolarHBondContact N-O 2.78Å; S502-S505 PolarHBondContact O-OG 3.43Å
503	G	98.6	Very high	97.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-61.8	159.6	-179.6	0	0	0	0	0	113.6	S119 Q275 A276 S505	S119-G503 PolarHBondContact OG-O 2.59Å; Q275-G503 PolarHBondContact O-N 3.11Å; A276-G503 WeakPolarHBondContact O-CA 3.46Å; A276-G503 PolarHBondContact O-N 2.86Å; G503-S505 VanDerWaalsContact C-N 3.26Å; G503-S505 PolarHBondContact O-N 3.26Å; G503-S505 PolarHBondContact O-OG 3.33Å
504	L	98.7	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	50.8	40.9	174.1	-54.4	94.9	0	0	0	114.8	G88 M89 V90 A120 H122 Q275 E278 L462 G464 E465	G88-L504 WeakPolarHBondContact O-CD2 3.46Å; M89-L504 HydrophobicContact CB-CD2 3.95Å; V90-L504 WeakPolarHBondContact CG2-O 3.45Å; A120-L504 HydrophobicContact CB-CB 4.15Å; A120-L504 PolarHBondContact N-O 2.61Å; H122-L504 HydrophobicContact CB-CD1 3.88Å; H122-L504 HydrophobicContact CB-CD2 3.68Å; H122-L504 HydrophobicContact CB-CG 4.46Å; H122-L504 VanDerWaalsContact CG-CD2 3.42Å; H122-L504 WeakPolarHBondContact ND1-CD2 3.43Å; Q275-L504 HydrophobicContact CB-CD1 3.86Å; Q275-L504 HydrophobicContact CG-CD1 3.83Å; E278-L504 WeakPolarHBondContact OE1-CD1 3.4Å; L462-L504 PolarHBondContact O-N 3.02Å; L462-L504 VanDerWaalsContact O-N 3.11Å; G464-L504 PolarHBondContact O-N 3.22Å; E465-L504 HydrophobicContact CG-CD2 4.4Å; E465-L504 HydrophobicContact CG-CG 4.32Å
505	S	98.7	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-91.8	136.3	-175.4	-62.8	0	0	0	0	112.5	I118 S119 L462 P463 S502 G503 V507	I118-S505 CarbonylContact O-C 3.51Å; I118-S505 WeakPolarHBondContact O-CA 3.37Å; S119-S505 WeakPolarHBondContact CB-OG 3.31Å; L462-S505 PolarHBondContact O-N 3.25Å; P463-S505 WeakPolarHBondContact CA-O 3.38Å; S502-S505 PolarHBondContact O-OG 3.43Å; G503-S505 VanDerWaalsContact C-N 3.26Å; G503-S505 PolarHBondContact O-N 3.26Å; G503-S505 PolarHBondContact O-OG 3.33Å; S505-V507 PolarHBondContact O-N 2.66Å
506	N	98.3	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	66.9	-47.5	167.4	-53.8	-34.5	0	0	0	117	V90 K95 I118 E448 Q450	V90-N506 WeakPolarHBondContact CG1-O 3.32Å; K95-N506 HydrophobicContact CD-CB 3.67Å; K95-N506 PolarHBondContact NZ-ND2 3.03Å; K95-N506 PolarHBondContact NZ-OD1 3.12Å; I118-N506 PolarHBondContact N-OD1 3.41Å; I118-N506 VanDerWaalsContact N-OD1 3.12Å; I118-N506 PolarHBondContact O-N 3.29Å; I118-N506 PolarHBondContact O-OD1 3.03Å; E448-N506 HydrophobicContact CB-CB 4.07Å; E448-N506 HydrophobicContact CG-CB 4.38Å; E448-N506 PolarHBondContact OE1-ND2 3.47Å; E448-N506 VanDerWaalsContact OE1-ND2 3.14Å; Q450-N506 PolarHBondContact OE1-ND2 2.94Å
507	V	97.7	Very high	98.5	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.006	3%	0.034	C	C	.	.	S	Bend	trans	-148.1	142.6	176.7	57.1	0	0	0	0	109.5	V90 Q92 P444 V447 E448 P463 S505	V90-V507 CarbonylContact O-C 3.4Å; Q92-V507 HydrophobicContact CB-CB 4Å; Q92-V507 HydrophobicContact CB-CG2 3.78Å; Q92-V507 HydrophobicContact CG-CG2 4.44Å; P444-V507 HydrophobicContact CB-CG2 4.39Å; P444-V507 HydrophobicContact CG-CG2 4.43Å; V447-V507 HydrophobicContact CB-CG1 4.17Å; E448-V507 HydrophobicContact CB-CG1 4.01Å; P463-V507 CarbonylContact C-O 3.56Å; P463-V507 VanDerWaalsContact CA-O 3.24Å; P463-V507 WeakPolarHBondContact CA-O 3.26Å; P463-V507 HydrophobicContact CB-CG1 3.79Å; P463-V507 WeakPolarHBondContact CB-O 3.26Å; S505-V507 PolarHBondContact O-N 2.66Å
508	Y	98.2	Very high	98.5	Very high	15 Å²	15	6 Å²	6	6%	0.059	3%	0.028	C	C	.	.			trans	-94.8	117.2	177.4	-175.7	-108.4	0	0	0	112.5	M89 V90 Y136 E465	M89-Y508 HydrophobicContact CB-CD1 4.5Å; M89-Y508 HydrophobicContact CB-CD2 3.59Å; M89-Y508 HydrophobicContact CB-CE2 4.27Å; M89-Y508 HydrophobicContact CB-CG 3.72Å; M89-Y508 HydrophobicContact CE-CD1 3.54Å; M89-Y508 HydrophobicContact CE-CD2 4.09Å; M89-Y508 HydrophobicContact CE-CE1 3.23Å; M89-Y508 HydrophobicContact CE-CE2 3.82Å; M89-Y508 HydrophobicContact CE-CG 3.96Å; M89-Y508 HydrophobicContact CG-CD1 4.09Å; M89-Y508 HydrophobicContact CG-CD2 4.08Å; M89-Y508 HydrophobicContact CG-CG 3.75Å; V90-Y508 PolarHBondContact O-N 3.03Å; V90-Y508 VanDerWaalsContact O-N 3.16Å; Y136-Y508 HydrophobicContact CD1-CD1 4.37Å; Y136-Y508 HydrophobicContact CD1-CE1 4.24Å; Y136-Y508 HydrophobicContact CD2-CD1 4.44Å; Y136-Y508 AromaticContact CE1-CD1 3.87Å; Y136-Y508 HydrophobicContact CE1-CD1 3.87Å; Y136-Y508 AromaticContact CE1-CE1 3.67Å; Y136-Y508 HydrophobicContact CE1-CE1 3.67Å; Y136-Y508 AromaticContact CE2-CD1 3.93Å; Y136-Y508 HydrophobicContact CE2-CD1 3.93Å; Y136-Y508 AromaticContact CZ-CD1 3.62Å; Y136-Y508 AromaticContact CZ-CE1 3.85Å; E465-Y508 HydrophobicContact CG-CE2 4.1Å; E465-Y508 WeakPolarHBondContact OE1-CE2 3.35Å; E465-Y508 PolarHBondContact OE1-OH 3Å
509	S	98	Very high	98.5	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.014	3%	0.032	C	C	.	.			trans	-117	29.8	177.8	68.2	0	0	0	0	113.9	P463 I529 Y538	P463-S509 WeakPolarHBondContact O-CB 3.37Å; P463-S509 PolarHBondContact O-N 3.03Å; P463-S509 PolarHBondContact O-OG 3.31Å; S509-I529 VanDerWaalsContact O-CD1 3.31Å; S509-I529 WeakPolarHBondContact O-CD1 3.21Å; S509-Y538 PolarHBondContact OG-OH 3.14Å
510	S	98.3	Very high	98.5	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.007	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	64.9	-138.9	-177.3	-52.2	0	0	0	0	112.7	Y136 Q443 G464 E465 S527	Y136-S510 PolarHBondContact OH-OG 3.3Å; Q443-S510 PolarHBondContact NE2-OG 3.43Å; G464-S510 WeakPolarHBondContact CA-O 3.42Å; E465-S510 PolarHBondContact N-O 3.49Å; S510-S527 WeakPolarHBondContact CB-O 3.08Å
511	Y	98.8	Very high	98.5	Very high	5 Å²	5	7.8 Å²	7.8	2%	0.02	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	157.9	-170.3	-73.5	-95.3	0	0	0	112.5	R185 G279 E465 Y523 E524 S527 T528	R185-Y511 VanDerWaalsContact NH2-CZ 3.32Å; R185-Y511 PolarHBondContact NH2-OH 3.44Å; G279-Y511 WeakPolarHBondContact O-CE1 3.44Å; E465-Y511 HydrophobicContact CB-CD1 3.57Å; E465-Y511 HydrophobicContact CB-CE1 3.61Å; E465-Y511 HydrophobicContact CB-CG 4.11Å; E465-Y511 VanDerWaalsContact CD-CE1 3.48Å; E465-Y511 HydrophobicContact CG-CE1 4.2Å; E465-Y511 CarbonylContact O-C 3.34Å; E465-Y511 WeakPolarHBondContact O-CA 3.42Å; E465-Y511 PolarHBondContact OE1-OH 3.41Å; E465-Y511 WeakPolarHBondContact OE2-CE1 3.13Å; E465-Y511 PolarHBondContact OE2-OH 3.23Å; Y511-Y523 HydrophobicContact CD2-CE1 4.06Å; Y511-Y523 HydrophobicContact CE1-CE1 4.4Å; Y511-Y523 HydrophobicContact CE2-CD1 4.07Å; Y511-Y523 AromaticContact CE2-CE1 3.27Å; Y511-Y523 HydrophobicContact CE2-CE1 3.27Å; Y511-Y523 AromaticContact CZ-CE1 3.48Å; Y511-Y523 VanDerWaalsContact CZ-CE1 3.48Å; Y511-E524 WeakPolarHBondContact CB-O 3.47Å; Y511-E524 HydrophobicContact CD1-CB 3.96Å; Y511-E524 HydrophobicContact CD1-CG 3.62Å; Y511-E524 HydrophobicContact CE1-CG 3.96Å; Y511-E524 HydrophobicContact CG-CB 4.29Å; Y511-E524 HydrophobicContact CG-CG 4.37Å; Y511-S527 VanDerWaalsContact CD2-CB 3.44Å; Y511-S527 PolarHBondContact N-O 3.13Å; Y511-S527 VanDerWaalsContact N-O 3.11Å; Y511-T528 VanDerWaalsContact O-CA 3.25Å; Y511-T528 WeakPolarHBondContact O-CA 3.43Å; Y511-T528 PolarHBondContact O-OG1 3.14Å
512	I	98.9	Very high	98.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	103.5	172.6	-58.9	78.9	0	0	0	108.3	E465 F466 T467 S470 T534 L535 Y538	E465-I512 PolarHBondContact O-N 3.18Å; F466-I512 HydrophobicContact CD1-CB 3.93Å; F466-I512 HydrophobicContact CD1-CG1 4.48Å; F466-I512 HydrophobicContact CD1-CG2 3.81Å; F466-I512 HydrophobicContact CD2-CB 3.99Å; F466-I512 HydrophobicContact CD2-CD1 3.57Å; F466-I512 HydrophobicContact CD2-CG1 3.94Å; F466-I512 HydrophobicContact CE1-CB 4.03Å; F466-I512 HydrophobicContact CE1-CG1 4.19Å; F466-I512 HydrophobicContact CE1-CG2 3.7Å; F466-I512 HydrophobicContact CE2-CB 4.08Å; F466-I512 HydrophobicContact CE2-CD1 3.37Å; F466-I512 HydrophobicContact CE2-CG1 3.61Å; F466-I512 HydrophobicContact CG-CB 3.9Å; F466-I512 HydrophobicContact CG-CD1 4.37Å; F466-I512 HydrophobicContact CG-CG1 4.36Å; F466-I512 HydrophobicContact CG-CG2 4.31Å; F466-I512 HydrophobicContact CZ-CB 4.1Å; F466-I512 HydrophobicContact CZ-CD1 4.05Å; F466-I512 HydrophobicContact CZ-CG1 3.75Å; F466-I512 HydrophobicContact CZ-CG2 4.11Å; T467-I512 PolarHBondContact N-O 2.85Å; S470-I512 WeakPolarHBondContact CB-O 3.4Å; S470-I512 PolarHBondContact OG-O 3.14Å; I512-T534 HydrophobicContact CG1-CG2 4.01Å; I512-T534 HydrophobicContact CG2-CG2 4.17Å; I512-L535 HydrophobicContact CG2-CB 3.74Å; I512-L535 HydrophobicContact CG2-CD1 4.1Å; I512-Y538 HydrophobicContact CD1-CE2 4.43Å; I512-Y538 HydrophobicContact CG1-CD2 4.03Å; I512-Y538 HydrophobicContact CG1-CE2 3.74Å; I512-Y538 HydrophobicContact CG2-CD2 4.26Å
513	A	98.9	Very high	98.5	Very high	2 Å²	2	9.2 Å²	9.2	2%	0.017	4%	0.043	C	C	.	.			trans	-95.1	158.5	172.2	0	0	0	0	0	111.7	T467 S470 E517 T528 L535	T467-A513 HydrophobicContact CG2-CB 4.23Å; S470-A513 VanDerWaalsContact OG-C 3.23Å; A513-E517 HydrophobicContact CB-CB 3.9Å; A513-T528 WeakPolarHBondContact CB-OG1 3.33Å; A513-T528 PolarHBondContact N-OG1 3.26Å; A513-L535 WeakPolarHBondContact O-CB 3.16Å
514	T	98.8	Very high	98.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.043	C	C	.	.			trans	-65.4	156	169.7	70.2	0	0	0	0	110.7	N193 M469 S470 E516 E517 Y518 L535	N193-T514 WeakPolarHBondContact OD1-CB 3.4Å; N193-T514 WeakPolarHBondContact OD1-CG2 3.2Å; N193-T514 PolarHBondContact OD1-OG1 3.39Å; M469-T514 HydrophobicContact CB-CG2 3.8Å; M469-T514 HydrophobicContact CG-CG2 3.94Å; S470-T514 PolarHBondContact OG-N 3.14Å; S470-T514 VanDerWaalsContact OG-N 3.14Å; T514-E516 WeakPolarHBondContact CB-OE2 3.32Å; T514-E516 PolarHBondContact O-N 3.25Å; T514-E516 VanDerWaalsContact O-N 3.11Å; T514-E516 PolarHBondContact OG1-OE2 3.02Å; T514-E517 PolarHBondContact N-OE2 2.86Å; T514-E517 PolarHBondContact O-N 3.31Å; T514-E517 WeakPolarHBondContact OG1-CB 3.36Å; T514-E517 VanDerWaalsContact OG1-CD 3.29Å; T514-E517 VanDerWaalsContact OG1-CG 3.23Å; T514-E517 WeakPolarHBondContact OG1-CG 3.39Å; T514-E517 PolarHBondContact OG1-N 2.81Å; T514-Y518 VanDerWaalsContact O-CB 3.26Å; T514-Y518 WeakPolarHBondContact O-CB 3.27Å; T514-Y518 PolarHBondContact O-N 3.32Å; T514-L535 HydrophobicContact CG2-CD2 3.69Å
515	P	98.4	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-51.7	-32.4	173	-28.4	34.9	0	0	0	113.5	Y369 Q519 P536	Y369-P515 HydrophobicContact CD1-CB 4.14Å; Y369-P515 HydrophobicContact CD2-CB 4.17Å; Y369-P515 HydrophobicContact CD2-CG 4.33Å; Y369-P515 HydrophobicContact CE1-CB 3.72Å; Y369-P515 HydrophobicContact CE2-CB 3.76Å; Y369-P515 HydrophobicContact CE2-CG 4.23Å; Y369-P515 HydrophobicContact CG-CB 4.36Å; P515-Q519 VanDerWaalsContact O-CG 3.32Å; P515-Q519 WeakPolarHBondContact O-CG 3.49Å; P515-Q519 PolarHBondContact O-NE2 3.01Å; P515-P536 HydrophobicContact CG-CG 3.69Å
516	E	98.4	Very high	98.5	Very high	20 Å²	20	9.5 Å²	9.5	9%	0.093	4%	0.044	C	C	.	.	H	α-helix	trans	-72.3	-54	177.1	-59.3	89.3	154.5	0	0	111.9	E192 R473 T514 Y518 Q519	E192-E516 HydrophobicContact CB-CB 4.22Å; E192-E516 WeakPolarHBondContact O-CB 3.41Å; R473-E516 IonicContact CZ-OE1 3.27Å; R473-E516 IonicContact CZ-OE2 3.64Å; R473-E516 IonicContact NH1-OE1 2.61Å; R473-E516 PolarHBondContact NH1-OE1 3.49Å; R473-E516 IonicContact NH1-OE2 3.73Å; R473-E516 PolarHBondContact NH1-OE2 2.88Å; R473-E516 VanDerWaalsContact NH2-CD 3.3Å; R473-E516 IonicContact NH2-OE1 3.12Å; R473-E516 PolarHBondContact NH2-OE1 3.23Å; R473-E516 IonicContact NH2-OE2 2.92Å; R473-E516 PolarHBondContact NH2-OE2 2.92Å; T514-E516 WeakPolarHBondContact CB-OE2 3.32Å; T514-E516 PolarHBondContact O-N 3.25Å; T514-E516 VanDerWaalsContact O-N 3.11Å; T514-E516 PolarHBondContact OG1-OE2 3.02Å; E516-Y518 PolarHBondContact O-N 2.82Å; E516-Q519 WeakPolarHBondContact O-CB 3.34Å; E516-Q519 PolarHBondContact O-N 3.2Å
517	E	98.8	Very high	98.5	Very high	5 Å²	5	9.5 Å²	9.5	2%	0.023	5%	0.045	C	C	.	.	H	α-helix	trans	-57.3	-36.8	174.9	-74.1	160.3	-171.7	0	0	111.9	A189 N193 T467 M469 A513 T514 Q519 L520	A189-E517 HydrophobicContact CB-CB 4.19Å; A189-E517 HydrophobicContact CB-CG 4.15Å; A189-E517 VanDerWaalsContact O-CG 3.22Å; A189-E517 WeakPolarHBondContact O-CG 3.4Å; N193-E517 PolarHBondContact ND2-OE1 3.42Å; T467-E517 WeakPolarHBondContact CB-OE2 3.07Å; T467-E517 WeakPolarHBondContact CG2-OE2 3.37Å; T467-E517 PolarHBondContact OG1-OE2 2.96Å; M469-E517 WeakPolarHBondContact CB-OE1 3.06Å; A513-E517 HydrophobicContact CB-CB 3.9Å; T514-E517 PolarHBondContact N-OE2 2.86Å; T514-E517 PolarHBondContact O-N 3.31Å; T514-E517 WeakPolarHBondContact OG1-CB 3.36Å; T514-E517 VanDerWaalsContact OG1-CD 3.29Å; T514-E517 VanDerWaalsContact OG1-CG 3.23Å; T514-E517 WeakPolarHBondContact OG1-CG 3.39Å; T514-E517 PolarHBondContact OG1-N 2.81Å; E517-Q519 PolarHBondContact O-N 2.82Å; E517-L520 PolarHBondContact O-N 2.82Å
518	Y	98.7	Very high	98.5	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-59.8	-34	177.6	-174.7	-84.3	0	0	0	112.2	Q424 K427 T514 E516 L520 Q521 G525 T528 P532	Q424-Y518 PolarHBondContact O-OH 2.94Å; Q424-Y518 PolarHBondContact OE1-OH 2.88Å; K427-Y518 HydrophobicContact CB-CE1 4.35Å; K427-Y518 WeakPolarHBondContact CB-OH 3.42Å; K427-Y518 VanDerWaalsContact CE-OH 3.23Å; K427-Y518 WeakPolarHBondContact CE-OH 3.35Å; T514-Y518 VanDerWaalsContact O-CB 3.26Å; T514-Y518 WeakPolarHBondContact O-CB 3.27Å; T514-Y518 PolarHBondContact O-N 3.32Å; E516-Y518 PolarHBondContact O-N 2.82Å; Y518-L520 VanDerWaalsContact C-N 3.25Å; Y518-L520 PolarHBondContact O-N 3.01Å; Y518-Q521 WeakPolarHBondContact O-CG 3.21Å; Y518-Q521 PolarHBondContact O-N 3.06Å; Y518-Q521 PolarHBondContact O-NE2 2.96Å; Y518-G525 WeakPolarHBondContact CD2-O 2.91Å; Y518-G525 WeakPolarHBondContact CE2-O 3.37Å; Y518-T528 HydrophobicContact CD2-CG2 3.9Å; Y518-T528 HydrophobicContact CE2-CG2 4.1Å; Y518-P532 HydrophobicContact CD1-CB 3.67Å; Y518-P532 HydrophobicContact CD1-CG 4.49Å; Y518-P532 HydrophobicContact CE1-CB 3.86Å; Y518-P532 HydrophobicContact CE1-CG 4.21Å; Y518-P532 HydrophobicContact CG-CB 4.12Å
519	Q	98	Very high	98.6	Very high	77 Å²	77	8.9 Å²	8.9	36%	0.36	4%	0.042	S	C	.	.	H	α-helix	trans	-62.7	-35	-178.1	-59.7	-47.4	-57.6	0	0	112.1	P426 P515 E516 E517 Q521	P426-Q519 VanDerWaalsContact CD-OE1 3.26Å; P515-Q519 VanDerWaalsContact O-CG 3.32Å; P515-Q519 WeakPolarHBondContact O-CG 3.49Å; P515-Q519 PolarHBondContact O-NE2 3.01Å; E516-Q519 WeakPolarHBondContact O-CB 3.34Å; E516-Q519 PolarHBondContact O-N 3.2Å; E517-Q519 PolarHBondContact O-N 2.82Å; Q519-Q521 VanDerWaalsContact C-N 3.28Å; Q519-Q521 PolarHBondContact O-N 2.87Å
520	L	97.9	Very high	98.6	Very high	30 Å²	30	8.8 Å²	8.8	16%	0.157	4%	0.042	C	C	.	.	H	α-helix	trans	-71.5	-24.8	-178.2	-165.6	64.2	0	0	0	112.2	A188 A189 E192 V300 G398 E517 Y518 R522	A188-L520 HydrophobicContact CB-CD2 3.77Å; A189-L520 HydrophobicContact CB-CD2 4.02Å; E192-L520 HydrophobicContact CG-CB 4.34Å; E192-L520 HydrophobicContact CG-CD2 4.47Å; V300-L520 HydrophobicContact CG1-CD1 4.08Å; V300-L520 HydrophobicContact CG1-CD2 4.47Å; V300-L520 HydrophobicContact CG1-CG 4.47Å; G398-L520 CarbonylContact C-O 3.54Å; G398-L520 VanDerWaalsContact CA-O 3.22Å; G398-L520 WeakPolarHBondContact CA-O 3.45Å; E517-L520 PolarHBondContact O-N 2.82Å; Y518-L520 VanDerWaalsContact C-N 3.25Å; Y518-L520 PolarHBondContact O-N 3.01Å; L520-R522 HydrophobicContact CD2-CG 4.07Å; L520-R522 HydrophobicContact CG-CG 4.31Å; L520-R522 PolarHBondContact O-N 3.1Å
521	Q	98.5	Very high	98.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	43	179.9	-74.5	-65.2	-66.3	0	0	114.2	S381 G398 T399 T400 K427 Y518 Q519 G525 A526	S381-Q521 WeakPolarHBondContact CB-O 3.21Å; S381-Q521 PolarHBondContact OG-O 2.68Å; G398-Q521 VanDerWaalsContact CA-O 3.27Å; G398-Q521 WeakPolarHBondContact CA-O 3.46Å; G398-Q521 PolarHBondContact N-O 3.49Å; T399-Q521 PolarHBondContact N-O 3.01Å; T399-Q521 WeakPolarHBondContact O-CB 3.2Å; T400-Q521 HydrophobicContact CG2-CB 4.1Å; T400-Q521 HydrophobicContact CG2-CG 4.27Å; K427-Q521 HydrophobicContact CB-CG 4.49Å; K427-Q521 VanDerWaalsContact CB-OE1 3.31Å; K427-Q521 VanDerWaalsContact CG-OE1 3.25Å; Y518-Q521 WeakPolarHBondContact O-CG 3.21Å; Y518-Q521 PolarHBondContact O-N 3.06Å; Y518-Q521 PolarHBondContact O-NE2 2.96Å; Q519-Q521 VanDerWaalsContact C-N 3.28Å; Q519-Q521 PolarHBondContact O-N 2.87Å; Q521-G525 VanDerWaalsContact NE2-C 3.28Å; Q521-G525 PolarHBondContact NE2-O 3.13Å; Q521-G525 VanDerWaalsContact NE2-O 3.11Å; Q521-A526 VanDerWaalsContact OE1-CA 3.31Å
522	R	98.5	Very high	98.6	Very high	3 Å²	3	9.6 Å²	9.6	1%	0.011	5%	0.048	C	C	.	.			trans	-68.2	-179.2	158.3	-71.2	-171.4	58.4	100.7	-6.1	111.1	R185 S186 F299 V300 S302 Q397 L520 E524 G525 A526	R185-R522 PolarHBondContact O-NH2 3.43Å; S186-R522 PolarHBondContact OG-NE 3.31Å; S186-R522 PolarHBondContact OG-NH2 3.45Å; F299-R522 PolarHBondContact O-NH1 3.39Å; V300-R522 VanDerWaalsContact C-NH1 3.25Å; V300-R522 PolarHBondContact O-NH1 3.1Å; S302-R522 VanDerWaalsContact OG-CZ 3.23Å; S302-R522 PolarHBondContact OG-NH1 3Å; S302-R522 PolarHBondContact OG-NH2 2.7Å; Q397-R522 HydrophobicContact CB-CB 4.44Å; Q397-R522 HydrophobicContact CB-CG 4.27Å; Q397-R522 VanDerWaalsContact OE1-CZ 3.24Å; L520-R522 HydrophobicContact CD2-CG 4.07Å; L520-R522 HydrophobicContact CG-CG 4.31Å; L520-R522 PolarHBondContact O-N 3.1Å; R522-E524 VanDerWaalsContact C-N 3.31Å; R522-E524 PolarHBondContact O-N 2.81Å; R522-G525 PolarHBondContact O-N 3.42Å; R522-A526 WeakPolarHBondContact O-CB 3.14Å; R522-A526 PolarHBondContact O-N 3.18Å
523	Y	98.5	Very high	98.5	Very high	31 Å²	31	10.2 Å²	10.2	12%	0.122	5%	0.051	C	C	.	.	H	α-helix	trans	-53.1	-45.9	-174.8	178.6	-100.5	0	0	0	113.1	S381 F382 T386 Y511 A526 S527	S381-Y523 WeakPolarHBondContact O-CD2 3.36Å; F382-Y523 HydrophobicContact CD2-CE2 4.03Å; F382-Y523 VanDerWaalsContact O-CE2 3.25Å; F382-Y523 WeakPolarHBondContact O-CE2 3.13Å; T386-Y523 HydrophobicContact CG2-CD1 3.28Å; T386-Y523 HydrophobicContact CG2-CD2 4.22Å; T386-Y523 HydrophobicContact CG2-CE1 3.81Å; T386-Y523 HydrophobicContact CG2-CG 3.52Å; Y511-Y523 HydrophobicContact CD2-CE1 4.06Å; Y511-Y523 HydrophobicContact CE1-CE1 4.4Å; Y511-Y523 HydrophobicContact CE2-CD1 4.07Å; Y511-Y523 AromaticContact CE2-CE1 3.27Å; Y511-Y523 HydrophobicContact CE2-CE1 3.27Å; Y511-Y523 AromaticContact CZ-CE1 3.48Å; Y511-Y523 VanDerWaalsContact CZ-CE1 3.48Å; Y523-A526 PolarHBondContact O-N 3Å; Y523-S527 VanDerWaalsContact O-CB 3.28Å; Y523-S527 WeakPolarHBondContact O-CB 3.46Å; Y523-S527 PolarHBondContact O-N 3.16Å; Y523-S527 PolarHBondContact O-OG 2.98Å
524	E	98.8	Very high	98.5	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.019	5%	0.05	C	C	.	.	H	α-helix	trans	-65.6	-42.1	-179.2	-60.5	79.3	-172.4	0	0	111.8	R185 S186 G279 D280 T467 Y511 R522 S527 T528	R185-E524 IonicContact CZ-OE1 2.92Å; R185-E524 IonicContact NE-OE1 3.76Å; R185-E524 PolarHBondContact NE-OE1 2.95Å; R185-E524 IonicContact NH2-OE1 3.94Å; R185-E524 PolarHBondContact NH2-OE1 3.32Å; S186-E524 WeakPolarHBondContact CB-OE2 3.34Å; S186-E524 VanDerWaalsContact OG-CD 3.31Å; S186-E524 PolarHBondContact OG-OE1 3.02Å; S186-E524 PolarHBondContact OG-OE2 2.95Å; G279-E524 VanDerWaalsContact O-CG 3.25Å; G279-E524 WeakPolarHBondContact O-CG 3.46Å; D280-E524 HydrophobicContact CB-CG 4.49Å; T467-E524 HydrophobicContact CG2-CB 4.06Å; T467-E524 HydrophobicContact CG2-CG 4.28Å; Y511-E524 WeakPolarHBondContact CB-O 3.47Å; Y511-E524 HydrophobicContact CD1-CB 3.96Å; Y511-E524 HydrophobicContact CD1-CG 3.62Å; Y511-E524 HydrophobicContact CE1-CG 3.96Å; Y511-E524 HydrophobicContact CG-CB 4.29Å; Y511-E524 HydrophobicContact CG-CG 4.37Å; R522-E524 VanDerWaalsContact C-N 3.31Å; R522-E524 PolarHBondContact O-N 2.81Å; E524-S527 CarbonylContact O-C 3.48Å; E524-S527 PolarHBondContact O-N 2.82Å; E524-T528 PolarHBondContact O-N 3.13Å; E524-T528 PolarHBondContact O-OG1 3.08Å
525	G	98.7	Very high	98.5	Very high	2 Å²	2	10.1 Å²	10.1	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-67.4	-39.3	176	0	0	0	0	0	112.8	Y518 Q521 R522 S527 T528	Y518-G525 WeakPolarHBondContact CD2-O 2.91Å; Y518-G525 WeakPolarHBondContact CE2-O 3.37Å; Q521-G525 VanDerWaalsContact NE2-C 3.28Å; Q521-G525 PolarHBondContact NE2-O 3.13Å; Q521-G525 VanDerWaalsContact NE2-O 3.11Å; R522-G525 PolarHBondContact O-N 3.42Å; G525-S527 VanDerWaalsContact C-N 3.26Å; G525-S527 PolarHBondContact O-N 2.79Å; G525-T528 PolarHBondContact O-N 3.12Å
526	A	98.6	Very high	98.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.2	-28.4	175.4	0	0	0	0	0	112.6	G379 K427 Q521 R522 Y523	G379-A526 PolarHBondContact N-O 3.36Å; K427-A526 VanDerWaalsContact CE-O 3.24Å; K427-A526 WeakPolarHBondContact CE-O 3.31Å; K427-A526 PolarHBondContact NZ-O 2.83Å; Q521-A526 VanDerWaalsContact OE1-CA 3.31Å; R522-A526 WeakPolarHBondContact O-CB 3.14Å; R522-A526 PolarHBondContact O-N 3.18Å; Y523-A526 PolarHBondContact O-N 3Å
527	S	98.6	Very high	98.6	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.007	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	7	178	-50.3	0	0	0	0	113.4	S510 Y511 Y523 E524 G525 I529	S510-S527 WeakPolarHBondContact CB-O 3.08Å; Y511-S527 VanDerWaalsContact CD2-CB 3.44Å; Y511-S527 PolarHBondContact N-O 3.13Å; Y511-S527 VanDerWaalsContact N-O 3.11Å; Y523-S527 VanDerWaalsContact O-CB 3.28Å; Y523-S527 WeakPolarHBondContact O-CB 3.46Å; Y523-S527 PolarHBondContact O-N 3.16Å; Y523-S527 PolarHBondContact O-OG 2.98Å; E524-S527 CarbonylContact O-C 3.48Å; E524-S527 PolarHBondContact O-N 2.82Å; G525-S527 VanDerWaalsContact C-N 3.26Å; G525-S527 PolarHBondContact O-N 2.79Å; S527-I529 WeakPolarHBondContact O-CG2 3.45Å; S527-I529 PolarHBondContact O-N 2.71Å
528	T	98.9	Very high	98.6	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-81.8	90.1	171.3	-62.8	0	0	0	0	109.8	K427 Y511 A513 Y518 E524 G525 Y530 G531 T534	K427-T528 PolarHBondContact NZ-O 2.92Å; Y511-T528 VanDerWaalsContact O-CA 3.25Å; Y511-T528 WeakPolarHBondContact O-CA 3.43Å; Y511-T528 PolarHBondContact O-OG1 3.14Å; A513-T528 WeakPolarHBondContact CB-OG1 3.33Å; A513-T528 PolarHBondContact N-OG1 3.26Å; Y518-T528 HydrophobicContact CD2-CG2 3.9Å; Y518-T528 HydrophobicContact CE2-CG2 4.1Å; E524-T528 PolarHBondContact O-N 3.13Å; E524-T528 PolarHBondContact O-OG1 3.08Å; G525-T528 PolarHBondContact O-N 3.12Å; T528-Y530 PolarHBondContact O-N 3.46Å; T528-G531 PolarHBondContact O-N 3.21Å; T528-T534 HydrophobicContact CG2-CG2 4.02Å; T528-T534 WeakPolarHBondContact CG2-OG1 3.39Å
529	I	98.7	Very high	98.5	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.1	-155.4	62.9	-179.8	0	0	0	115	P376 A377 M378 Q424 Q443 S509 S527 G531	P376-I529 VanDerWaalsContact CA-O 3.29Å; P376-I529 WeakPolarHBondContact CA-O 3.48Å; P376-I529 HydrophobicContact CB-CB 3.97Å; P376-I529 HydrophobicContact CB-CD1 3.94Å; P376-I529 HydrophobicContact CB-CG1 4.11Å; A377-I529 PolarHBondContact N-O 3.11Å; M378-I529 HydrophobicContact SD-CG2 3.76Å; Q424-I529 PolarHBondContact NE2-O 3.13Å; Q443-I529 HydrophobicContact CB-CD1 4.43Å; S509-I529 VanDerWaalsContact O-CD1 3.31Å; S509-I529 WeakPolarHBondContact O-CD1 3.21Å; S527-I529 WeakPolarHBondContact O-CG2 3.45Å; S527-I529 PolarHBondContact O-N 2.71Å; I529-G531 VanDerWaalsContact C-N 3.28Å; I529-G531 PolarHBondContact O-N 2.96Å
530	Y	98.8	Very high	98.5	Very high	1 Å²	1	8.9 Å²	8.9	0%	0.004	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	21.1	-177.2	-46.7	-69	0	0	0	113.6	M359 C374 P376 P444 V447 T528 T534	M359-Y530 HydrophobicContact CB-CD1 3.63Å; M359-Y530 HydrophobicContact CB-CD2 3.77Å; M359-Y530 HydrophobicContact CB-CE1 3.62Å; M359-Y530 HydrophobicContact CB-CE2 3.75Å; M359-Y530 HydrophobicContact CB-CG 3.7Å; M359-Y530 HydrophobicContact CE-CD2 3.62Å; M359-Y530 HydrophobicContact CE-CE2 4.16Å; M359-Y530 HydrophobicContact CE-CG 4.21Å; M359-Y530 HydrophobicContact CG-CD2 4.14Å; M359-Y530 HydrophobicContact CG-CE2 3.91Å; C374-Y530 PolarHBondContact N-O 3.38Å; P376-Y530 HydrophobicContact CB-CD1 4.34Å; P376-Y530 HydrophobicContact CB-CE1 4.12Å; P376-Y530 HydrophobicContact CG-CE1 4.42Å; P444-Y530 VanDerWaalsContact O-CE1 3.29Å; P444-Y530 WeakPolarHBondContact O-CE1 3.28Å; P444-Y530 PolarHBondContact O-OH 3.1Å; V447-Y530 HydrophobicContact CG1-CE2 4.16Å; V447-Y530 WeakPolarHBondContact CG1-OH 3.35Å; T528-Y530 PolarHBondContact O-N 3.46Å; Y530-T534 WeakPolarHBondContact CA-OG1 3.21Å; Y530-T534 WeakPolarHBondContact CB-OG1 3.3Å; Y530-T534 HydrophobicContact CD2-CG2 3.94Å; Y530-T534 PolarHBondContact N-OG1 3.48Å
531	G	98.5	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.			trans	85.4	-175.1	176.7	0	0	0	0	0	114.6	T528 I529 L533 T534	T528-G531 PolarHBondContact O-N 3.21Å; I529-G531 VanDerWaalsContact C-N 3.28Å; I529-G531 PolarHBondContact O-N 2.96Å; G531-L533 PolarHBondContact O-N 2.79Å; G531-L533 VanDerWaalsContact O-N 3.12Å; G531-T534 PolarHBondContact N-OG1 3.06Å; G531-T534 WeakPolarHBondContact O-CB 3.37Å; G531-T534 PolarHBondContact O-N 3.48Å; G531-T534 VanDerWaalsContact O-N 3.13Å; G531-T534 PolarHBondContact O-OG1 3.18Å
532	P	98	Very high	98.6	Very high	23 Å²	23	8.6 Å²	8.6	15%	0.149	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.9	-174.8	25.1	-34	0	0	0	113.8	Y518	Y518-P532 HydrophobicContact CD1-CB 3.67Å; Y518-P532 HydrophobicContact CD1-CG 4.49Å; Y518-P532 HydrophobicContact CE1-CB 3.86Å; Y518-P532 HydrophobicContact CE1-CG 4.21Å; Y518-P532 HydrophobicContact CG-CB 4.12Å
533	L	98.4	Very high	98.6	Very high	12 Å²	12	9.4 Å²	9.4	6%	0.063	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10.9	179.4	-57.3	-174.2	0	0	0	114.1	L364 Y369 T373 G531 P536 A537	L364-L533 HydrophobicContact CD1-CD1 4.43Å; Y369-L533 HydrophobicContact CG-CD2 4.37Å; T373-L533 HydrophobicContact CG2-CB 4.37Å; G531-L533 PolarHBondContact O-N 2.79Å; G531-L533 VanDerWaalsContact O-N 3.12Å; L533-P536 HydrophobicContact CD2-CG 4.22Å; L533-P536 WeakPolarHBondContact O-CD 3.46Å; L533-A537 WeakPolarHBondContact O-CB 3.34Å; L533-A537 PolarHBondContact O-N 3.12Å
534	T	98.8	Very high	98.6	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-56.9	-55.8	177.8	-57.8	0	0	0	0	112.3	M359 I512 T528 Y530 G531 A537 Y538	M359-T534 HydrophobicContact CE-CG2 4.17Å; I512-T534 HydrophobicContact CG1-CG2 4.01Å; I512-T534 HydrophobicContact CG2-CG2 4.17Å; T528-T534 HydrophobicContact CG2-CG2 4.02Å; T528-T534 WeakPolarHBondContact CG2-OG1 3.39Å; Y530-T534 WeakPolarHBondContact CA-OG1 3.21Å; Y530-T534 WeakPolarHBondContact CB-OG1 3.3Å; Y530-T534 HydrophobicContact CD2-CG2 3.94Å; Y530-T534 PolarHBondContact N-OG1 3.48Å; G531-T534 PolarHBondContact N-OG1 3.06Å; G531-T534 WeakPolarHBondContact O-CB 3.37Å; G531-T534 PolarHBondContact O-N 3.48Å; G531-T534 VanDerWaalsContact O-N 3.13Å; G531-T534 PolarHBondContact O-OG1 3.18Å; T534-A537 PolarHBondContact O-N 3.41Å; T534-Y538 HydrophobicContact CG2-CD2 3.92Å; T534-Y538 HydrophobicContact CG2-CE2 3.64Å; T534-Y538 WeakPolarHBondContact O-CD2 3.4Å; T534-Y538 PolarHBondContact O-N 3.02Å; T534-Y538 VanDerWaalsContact O-N 3.16Å
535	L	98.8	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-50.2	178	171.6	68.2	0	0	0	112	F466 I474 I512 A513 T514 A537 Y538 V539	F466-L535 HydrophobicContact CD1-CD1 4.21Å; F466-L535 HydrophobicContact CE1-CD1 4.1Å; I474-L535 HydrophobicContact CD1-CD1 3.99Å; I474-L535 HydrophobicContact CG1-CD1 3.84Å; I512-L535 HydrophobicContact CG2-CB 3.74Å; I512-L535 HydrophobicContact CG2-CD1 4.1Å; A513-L535 WeakPolarHBondContact O-CB 3.16Å; T514-L535 HydrophobicContact CG2-CD2 3.69Å; L535-A537 PolarHBondContact O-N 2.92Å; L535-Y538 PolarHBondContact O-N 3.47Å; L535-V539 HydrophobicContact CD1-CG2 3.96Å; L535-V539 HydrophobicContact CG-CG2 4.14Å; L535-V539 WeakPolarHBondContact O-CG2 3.49Å; L535-V539 PolarHBondContact O-N 2.76Å
536	P	98.6	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-49.3	-41	173.6	-34.2	37.2	0	0	0	115.1	L364 Y366 P515 L533 V539 N540	L364-P536 HydrophobicContact CD1-CB 3.43Å; L364-P536 VanDerWaalsContact CD1-CB 3.43Å; L364-P536 HydrophobicContact CD2-CB 4.14Å; L364-P536 HydrophobicContact CG-CB 4.47Å; Y366-P536 HydrophobicContact CD1-CB 3.9Å; Y366-P536 HydrophobicContact CD1-CG 3.56Å; Y366-P536 HydrophobicContact CD2-CB 4.19Å; Y366-P536 HydrophobicContact CE1-CG 4.12Å; Y366-P536 HydrophobicContact CG-CB 3.64Å; Y366-P536 HydrophobicContact CG-CG 3.88Å; P515-P536 HydrophobicContact CG-CG 3.69Å; L533-P536 HydrophobicContact CD2-CG 4.22Å; L533-P536 WeakPolarHBondContact O-CD 3.46Å; P536-V539 PolarHBondContact O-N 3.22Å; P536-N540 PolarHBondContact O-N 3.41Å
537	A	98.6	Very high	98.6	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-44.4	176.1	0	0	0	0	0	111.9	M359 I362 L364 T373 L533 T534 L535 N540 Q541	M359-A537 HydrophobicContact CE-CB 4.03Å; M359-A537 HydrophobicContact SD-CB 4.42Å; I362-A537 HydrophobicContact CB-CB 4.48Å; I362-A537 HydrophobicContact CD1-CB 4.25Å; I362-A537 HydrophobicContact CG2-CB 4.36Å; L364-A537 VanDerWaalsContact CD2-CA 3.48Å; L364-A537 HydrophobicContact CD2-CB 3.65Å; T373-A537 HydrophobicContact CG2-CB 3.56Å; L533-A537 WeakPolarHBondContact O-CB 3.34Å; L533-A537 PolarHBondContact O-N 3.12Å; T534-A537 PolarHBondContact O-N 3.41Å; L535-A537 PolarHBondContact O-N 2.92Å; A537-N540 PolarHBondContact O-N 2.83Å; A537-Q541 WeakPolarHBondContact O-CB 3.36Å; A537-Q541 PolarHBondContact O-N 3.05Å
538	Y	98.7	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.3	-38.8	174.7	-75	-58.5	0	0	0	112.9	M359 V447 T449 P463 F466 S509 I512 T534 L535 Q541 F542	M359-Y538 HydrophobicContact CE-CD1 4.49Å; M359-Y538 HydrophobicContact CE-CD2 4.03Å; M359-Y538 HydrophobicContact CE-CE1 4.07Å; M359-Y538 HydrophobicContact CE-CE2 3.58Å; M359-Y538 HydrophobicContact CE-CG 4.46Å; M359-Y538 HydrophobicContact SD-CE1 4.09Å; V447-Y538 HydrophobicContact CG2-CE1 4.07Å; T449-Y538 HydrophobicContact CG2-CD1 4.29Å; T449-Y538 HydrophobicContact CG2-CE1 4.13Å; P463-Y538 HydrophobicContact CG-CE1 3.63Å; F466-Y538 HydrophobicContact CE1-CD2 4.12Å; F466-Y538 HydrophobicContact CE1-CG 4.25Å; F466-Y538 HydrophobicContact CZ-CD1 4.35Å; F466-Y538 AromaticContact CZ-CD2 3.6Å; F466-Y538 HydrophobicContact CZ-CD2 3.6Å; F466-Y538 HydrophobicContact CZ-CE2 4.07Å; F466-Y538 AromaticContact CZ-CG 3.76Å; F466-Y538 HydrophobicContact CZ-CG 3.76Å; S509-Y538 PolarHBondContact OG-OH 3.14Å; I512-Y538 HydrophobicContact CD1-CE2 4.43Å; I512-Y538 HydrophobicContact CG1-CD2 4.03Å; I512-Y538 HydrophobicContact CG1-CE2 3.74Å; I512-Y538 HydrophobicContact CG2-CD2 4.26Å; T534-Y538 HydrophobicContact CG2-CD2 3.92Å; T534-Y538 HydrophobicContact CG2-CE2 3.64Å; T534-Y538 WeakPolarHBondContact O-CD2 3.4Å; T534-Y538 PolarHBondContact O-N 3.02Å; T534-Y538 VanDerWaalsContact O-N 3.16Å; L535-Y538 PolarHBondContact O-N 3.47Å; Y538-Q541 PolarHBondContact O-N 3.13Å; Y538-F542 HydrophobicContact CD1-CD2 4.46Å; Y538-F542 AromaticContact CD1-CE2 3.86Å; Y538-F542 HydrophobicContact CD1-CE2 3.86Å; Y538-F542 HydrophobicContact CG-CE2 4.38Å; Y538-F542 VanDerWaalsContact O-CD2 3.23Å; Y538-F542 WeakPolarHBondContact O-CD2 3.39Å; Y538-F542 PolarHBondContact O-N 2.88Å
539	V	98.6	Very high	98.5	Very high	6 Å²	6	15.9 Å²	15.9	4%	0.036	8%	0.078	C	C	.	.	H	α-helix	trans	-59.3	-49.3	175.4	171.3	0	0	0	0	110.8	Y366 I474 A477 L535 P536 S543	Y366-V539 HydrophobicContact CE2-CB 4.15Å; Y366-V539 HydrophobicContact CE2-CG1 3.81Å; Y366-V539 HydrophobicContact CE2-CG2 4.41Å; I474-V539 HydrophobicContact CD1-CB 4.21Å; I474-V539 HydrophobicContact CD1-CG2 3.55Å; I474-V539 HydrophobicContact CG1-CG2 4.21Å; A477-V539 HydrophobicContact CB-CG1 3.54Å; L535-V539 HydrophobicContact CD1-CG2 3.96Å; L535-V539 HydrophobicContact CG-CG2 4.14Å; L535-V539 WeakPolarHBondContact O-CG2 3.49Å; L535-V539 PolarHBondContact O-N 2.76Å; P536-V539 PolarHBondContact O-N 3.22Å; V539-S543 VanDerWaalsContact O-CB 3.24Å; V539-S543 WeakPolarHBondContact O-CB 3.38Å; V539-S543 PolarHBondContact O-N 3.11Å; V539-S543 PolarHBondContact O-OG 2.78Å
540	N	97.9	Very high	98.5	Very high	69 Å²	69	16.8 Å²	16.8	37%	0.369	8%	0.084	S	C	.	.	H	α-helix	trans	-62.5	-44.7	177	-76.6	-10.9	0	0	0	111.7	P536 A537 S543 F544	P536-N540 PolarHBondContact O-N 3.41Å; A537-N540 PolarHBondContact O-N 2.83Å; N540-S543 PolarHBondContact O-N 3.23Å; N540-F544 WeakPolarHBondContact O-CB 3.4Å; N540-F544 PolarHBondContact O-N 2.9Å
541	Q	98.3	Very high	98.4	Very high	23 Å²	23	20.1 Å²	20.1	11%	0.107	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-51.2	-178.6	178	62.3	12.1	0	0	112.3	I357 T449 A537 Y538 S543 F544 L545	I357-Q541 HydrophobicContact CD1-CB 4.31Å; I357-Q541 HydrophobicContact CD1-CG 3.92Å; I357-Q541 HydrophobicContact CG2-CG 4.47Å; T449-Q541 HydrophobicContact CG2-CG 3.91Å; T449-Q541 PolarHBondContact OG1-NE2 3.03Å; T449-Q541 VanDerWaalsContact OG1-NE2 3.13Å; A537-Q541 WeakPolarHBondContact O-CB 3.36Å; A537-Q541 PolarHBondContact O-N 3.05Å; Y538-Q541 PolarHBondContact O-N 3.13Å; Q541-S543 VanDerWaalsContact C-N 3.31Å; Q541-S543 PolarHBondContact O-N 3.48Å; Q541-F544 WeakPolarHBondContact O-CB 3.41Å; Q541-F544 PolarHBondContact O-N 3.49Å; Q541-L545 WeakPolarHBondContact O-CG 3.35Å; Q541-L545 PolarHBondContact O-N 3.41Å
542	F	98.8	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.3	-30.9	-178.9	-73.2	-63.6	0	0	0	112.1	T449 I451 V460 A461 L462 I474 V478 Y538 L545 A546	T449-F542 HydrophobicContact CG2-CE1 4.27Å; T449-F542 HydrophobicContact CG2-CZ 3.99Å; I451-F542 HydrophobicContact CD1-CD1 4.2Å; I451-F542 HydrophobicContact CG1-CD1 4.05Å; V460-F542 HydrophobicContact CG1-CB 4.49Å; V460-F542 HydrophobicContact CG1-CD1 3.47Å; V460-F542 VanDerWaalsContact CG1-CD1 3.47Å; V460-F542 HydrophobicContact CG1-CD2 4.15Å; V460-F542 HydrophobicContact CG1-CE1 3.52Å; V460-F542 HydrophobicContact CG1-CE2 4.2Å; V460-F542 HydrophobicContact CG1-CG 3.8Å; V460-F542 HydrophobicContact CG1-CZ 3.9Å; A461-F542 VanDerWaalsContact O-CZ 3.32Å; A461-F542 WeakPolarHBondContact O-CZ 3.31Å; L462-F542 HydrophobicContact CD2-CE2 3.91Å; L462-F542 HydrophobicContact CD2-CZ 4.22Å; I474-F542 HydrophobicContact CD1-CD2 4.07Å; I474-F542 HydrophobicContact CG2-CD2 4.34Å; V478-F542 HydrophobicContact CG2-CB 3.66Å; Y538-F542 HydrophobicContact CD1-CD2 4.46Å; Y538-F542 AromaticContact CD1-CE2 3.86Å; Y538-F542 HydrophobicContact CD1-CE2 3.86Å; Y538-F542 HydrophobicContact CG-CE2 4.38Å; Y538-F542 VanDerWaalsContact O-CD2 3.23Å; Y538-F542 WeakPolarHBondContact O-CD2 3.39Å; Y538-F542 PolarHBondContact O-N 2.88Å; F542-L545 HydrophobicContact CD1-CD1 4.17Å; F542-L545 HydrophobicContact CE1-CD1 4.49Å; F542-L545 PolarHBondContact O-N 3.23Å; F542-A546 VanDerWaalsContact O-CB 3.27Å; F542-A546 WeakPolarHBondContact O-CB 3.07Å; F542-A546 PolarHBondContact O-N 3.2Å
543	S	98.6	Very high	98.2	Very high	21 Å²	21	26.8 Å²	26.8	15%	0.147	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-42	170.9	-57.9	0	0	0	0	111.8	V539 N540 Q541 A546 R547	V539-S543 VanDerWaalsContact O-CB 3.24Å; V539-S543 WeakPolarHBondContact O-CB 3.38Å; V539-S543 PolarHBondContact O-N 3.11Å; V539-S543 PolarHBondContact O-OG 2.78Å; N540-S543 PolarHBondContact O-N 3.23Å; Q541-S543 VanDerWaalsContact C-N 3.31Å; Q541-S543 PolarHBondContact O-N 3.48Å; S543-A546 PolarHBondContact O-N 3.09Å; S543-R547 PolarHBondContact O-N 3.08Å
544	F	98.3	Very high	98	Very high	83 Å²	83	36.3 Å²	36.3	36%	0.364	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-49.7	173.4	164.3	-104.7	0	0	0	111.4	N540 Q541 A546 R547 A548 I555	N540-F544 WeakPolarHBondContact O-CB 3.4Å; N540-F544 PolarHBondContact O-N 2.9Å; Q541-F544 WeakPolarHBondContact O-CB 3.41Å; Q541-F544 PolarHBondContact O-N 3.49Å; F544-A546 VanDerWaalsContact C-N 3.34Å; F544-A546 PolarHBondContact O-N 2.55Å; F544-R547 PolarHBondContact O-N 2.84Å; F544-A548 WeakPolarHBondContact O-CB 3.35Å; F544-A548 PolarHBondContact O-N 3.17Å; F544-I555 HydrophobicContact CE1-CD1 4.21Å; F544-I555 HydrophobicContact CE1-CG2 4.11Å; F544-I555 HydrophobicContact CZ-CB 4.36Å; F544-I555 HydrophobicContact CZ-CG2 3.68Å
545	L	98.7	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-44.1	177.1	-69.8	-173.4	0	0	0	111.8	I353 Q355 I451 Q541 F542 A548 L549 I555	I353-L545 HydrophobicContact CD1-CD2 4.18Å; I353-L545 HydrophobicContact CG1-CD2 4.1Å; I353-L545 HydrophobicContact CG2-CB 3.85Å; I353-L545 HydrophobicContact CG2-CD2 4.31Å; I353-L545 HydrophobicContact CG2-CG 4.48Å; Q355-L545 HydrophobicContact CB-CD2 4.15Å; I451-L545 HydrophobicContact CD1-CB 3.82Å; I451-L545 HydrophobicContact CG1-CB 4.33Å; Q541-L545 WeakPolarHBondContact O-CG 3.35Å; Q541-L545 PolarHBondContact O-N 3.41Å; F542-L545 HydrophobicContact CD1-CD1 4.17Å; F542-L545 HydrophobicContact CE1-CD1 4.49Å; F542-L545 PolarHBondContact O-N 3.23Å; L545-A548 PolarHBondContact O-N 2.92Å; L545-L549 VanDerWaalsContact O-CB 3.25Å; L545-L549 WeakPolarHBondContact O-CB 3.5Å; L545-L549 PolarHBondContact O-N 3.25Å; L545-I555 HydrophobicContact CD2-CD1 3.34Å
546	A	98.7	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-45.1	179.2	0	0	0	0	0	112.1	I451 V478 A481 A482 F542 S543 F544 L549 V550	I451-A546 HydrophobicContact CD1-CB 4.07Å; V478-A546 HydrophobicContact CG1-CB 3.85Å; A481-A546 HydrophobicContact CB-CB 4.44Å; A482-A546 HydrophobicContact CB-CB 4.44Å; F542-A546 VanDerWaalsContact O-CB 3.27Å; F542-A546 WeakPolarHBondContact O-CB 3.07Å; F542-A546 PolarHBondContact O-N 3.2Å; S543-A546 PolarHBondContact O-N 3.09Å; F544-A546 VanDerWaalsContact C-N 3.34Å; F544-A546 PolarHBondContact O-N 2.55Å; A546-L549 PolarHBondContact O-N 3.05Å; A546-V550 WeakPolarHBondContact O-CG2 3.42Å; A546-V550 PolarHBondContact O-N 3.31Å
547	R	98.6	Very high	97.5	Very high	73 Å²	73	45.5 Å²	45.5	28%	0.275	25%	0.245	S	C	.	.	H	α-helix	trans	-59.5	-50.2	174.2	-83.1	172.9	169	-85.9	3	111.4	A481 D484 A485 E488 S543 F544 L549 V550 K551	A481-R547 HydrophobicContact CB-CG 3.91Å; A481-R547 WeakPolarHBondContact O-CG 3.42Å; D484-R547 IonicContact OD2-NH2 3.56Å; D484-R547 PolarHBondContact OD2-NH2 2.76Å; A485-R547 HydrophobicContact CB-CB 4.31Å; A485-R547 HydrophobicContact CB-CG 4.04Å; E488-R547 IonicContact OE1-CZ 3.62Å; E488-R547 IonicContact OE1-NH1 2.68Å; E488-R547 PolarHBondContact OE1-NH1 3.47Å; E488-R547 IonicContact OE1-NH2 3.31Å; E488-R547 IonicContact OE2-NH1 3.64Å; S543-R547 PolarHBondContact O-N 3.08Å; F544-R547 PolarHBondContact O-N 2.84Å; R547-L549 VanDerWaalsContact C-N 3.35Å; R547-L549 PolarHBondContact O-N 3.44Å; R547-V550 PolarHBondContact O-N 3.42Å; R547-K551 WeakPolarHBondContact O-CB 3.33Å; R547-K551 WeakPolarHBondContact O-CG 3.33Å; R547-K551 PolarHBondContact O-N 3.43Å
548	A	98.4	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-40.3	-179.5	0	0	0	0	0	112.2	I353 F544 L545 K551 G552 E553 I555	I353-A548 HydrophobicContact CD1-CB 3.47Å; I353-A548 VanDerWaalsContact CD1-CB 3.47Å; F544-A548 WeakPolarHBondContact O-CB 3.35Å; F544-A548 PolarHBondContact O-N 3.17Å; L545-A548 PolarHBondContact O-N 2.92Å; A548-K551 PolarHBondContact O-N 3.46Å; A548-G552 PolarHBondContact O-N 2.87Å; A548-E553 HydrophobicContact CB-CB 4.12Å; A548-E553 PolarHBondContact O-N 3.49Å; A548-I555 HydrophobicContact CB-CG2 3.81Å
549	L	98.2	Very high	96.8	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-50	175	-177.9	74	0	0	0	111.3	N351 F352 I353 I451 L458 L545 A546 R547 K551 G552	N351-L549 HydrophobicContact CB-CD1 3.78Å; F352-L549 VanDerWaalsContact C-CD1 3.47Å; I353-L549 HydrophobicContact CB-CB 4.22Å; I353-L549 HydrophobicContact CB-CD1 3.89Å; I353-L549 HydrophobicContact CD1-CB 4.41Å; I353-L549 HydrophobicContact CG2-CB 3.9Å; I353-L549 HydrophobicContact CG2-CD1 4.07Å; I353-L549 HydrophobicContact CG2-CG 4.39Å; I451-L549 HydrophobicContact CG2-CD2 3.95Å; L458-L549 HydrophobicContact CD2-CD2 3.85Å; L545-L549 VanDerWaalsContact O-CB 3.25Å; L545-L549 WeakPolarHBondContact O-CB 3.5Å; L545-L549 PolarHBondContact O-N 3.25Å; A546-L549 PolarHBondContact O-N 3.05Å; R547-L549 VanDerWaalsContact C-N 3.35Å; R547-L549 PolarHBondContact O-N 3.44Å; L549-K551 VanDerWaalsContact C-N 3.33Å; L549-K551 PolarHBondContact O-N 3.41Å; L549-G552 PolarHBondContact O-N 2.89Å
550	V	97.7	Very high	96.2	Very high	21 Å²	21	56.5 Å²	56.5	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-35.3	-179.3	172.8	0	0	0	0	111.7	A482 A485 N489 Y497 A546 R547 G552	A482-V550 HydrophobicContact CB-CG2 3.98Å; A485-V550 HydrophobicContact CB-CB 3.78Å; A485-V550 HydrophobicContact CB-CG1 3.69Å; N489-V550 PolarHBondContact ND2-O 3.34Å; Y497-V550 HydrophobicContact CD1-CG2 4.45Å; Y497-V550 HydrophobicContact CE1-CG2 3.67Å; Y497-V550 HydrophobicContact CE2-CG2 4.31Å; A546-V550 WeakPolarHBondContact O-CG2 3.42Å; A546-V550 PolarHBondContact O-N 3.31Å; R547-V550 PolarHBondContact O-N 3.42Å; V550-G552 VanDerWaalsContact C-N 3.28Å; V550-G552 PolarHBondContact O-N 3Å
551	K	97.1	Very high	95.8	Very high	70 Å²	70	53.7 Å²	53.7	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-76.4	-9.9	175.2	-69.3	-172.5	175.4	-173.6	0	114.5	A485 E488 R547 A548 L549 E553	A485-K551 HydrophobicContact CB-CG 4.1Å; E488-K551 WeakPolarHBondContact OE2-CE 3.22Å; E488-K551 IonicContact OE2-NZ 3.14Å; E488-K551 PolarHBondContact OE2-NZ 2.85Å; R547-K551 WeakPolarHBondContact O-CB 3.33Å; R547-K551 WeakPolarHBondContact O-CG 3.33Å; R547-K551 PolarHBondContact O-N 3.43Å; A548-K551 PolarHBondContact O-N 3.46Å; L549-K551 VanDerWaalsContact C-N 3.33Å; L549-K551 PolarHBondContact O-N 3.41Å; K551-E553 HydrophobicContact CB-CG 3.74Å; K551-E553 WeakPolarHBondContact CD-OE1 3.29Å; K551-E553 PolarHBondContact O-N 3.29Å
552	G	95.6	Very high	95.5	Very high	66 Å²	66	54.4 Å²	54.4	68%	0.68	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	27.6	-173.6	0	0	0	0	0	112.8	A548 L549 V550	A548-G552 PolarHBondContact O-N 2.87Å; L549-G552 PolarHBondContact O-N 2.89Å; V550-G552 VanDerWaalsContact C-N 3.28Å; V550-G552 PolarHBondContact O-N 3Å
553	E	96.5	Very high	95.3	Very high	98 Å²	98	57.7 Å²	57.7	46%	0.458	33%	0.325	S	S	.	.			trans	-78.1	136.3	-179.5	-71.9	174.6	-174.9	0	0	110.9	A548 K551	A548-E553 HydrophobicContact CB-CB 4.12Å; A548-E553 PolarHBondContact O-N 3.49Å; K551-E553 HydrophobicContact CB-CG 3.74Å; K551-E553 WeakPolarHBondContact CD-OE1 3.29Å; K551-E553 PolarHBondContact O-N 3.29Å
554	K	94.5	Very high	95	Very high	211 Å²	211	58 Å²	58	92%	0.917	32%	0.323	S	S	*	.			trans	-83.4	124.6	169.9	-68	-174.7	179.3	-178.3	0	109.2
555	I	96.3	Very high	94.5	Very high	37 Å²	37	57.4 Å²	57.4	19%	0.19	32%	0.321	C	S	.	.			trans	-106.3	157.9	177.4	65.7	168.8	0	0	0	111.3	I353 Q355 F544 L545 A548	I353-I555 HydrophobicContact CD1-CD1 3.72Å; I353-I555 HydrophobicContact CD1-CG1 4.07Å; I353-I555 HydrophobicContact CD1-CG2 4.14Å; I353-I555 HydrophobicContact CG1-CD1 3.58Å; I353-I555 HydrophobicContact CG1-CG1 3.99Å; Q355-I555 HydrophobicContact CB-CD1 3.94Å; F544-I555 HydrophobicContact CE1-CD1 4.21Å; F544-I555 HydrophobicContact CE1-CG2 4.11Å; F544-I555 HydrophobicContact CZ-CB 4.36Å; F544-I555 HydrophobicContact CZ-CG2 3.68Å; L545-I555 HydrophobicContact CD2-CD1 3.34Å; A548-I555 HydrophobicContact CB-CG2 3.81Å
556	S	95.2	Very high	94	Very high	81 Å²	81	64.5 Å²	64.5	57%	0.566	36%	0.359	S	S	*	.			trans	-64.1	136.4	170.9	178.1	0	0	0	0	109.9	Q355 G558	Q355-S556 PolarHBondContact NE2-O 3.25Å; S556-G558 PolarHBondContact O-N 3.37Å; S556-G558 PolarHBondContact OG-N 3.25Å
557	P	93.7	Very high	93.5	Very high	77 Å²	77	69 Å²	69	50%	0.5	38%	0.38	S	S	.	.			trans	-57.6	-19.5	174.5	-25	34.1	0	0	0	114.3	F356	F356-P557 PolarHBondContact N-O 3.49Å
558	G	93.7	Very high	93.1	Very high	34 Å²	34	67 Å²	67	35%	0.351	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	82.5	-162.7	-176.7	0	0	0	0	0	113.2	F356 S556	F356-G558 WeakPolarHBondContact O-CA 3.28Å; S556-G558 PolarHBondContact O-N 3.37Å; S556-G558 PolarHBondContact OG-N 3.25Å
559	T	88.6	Confident	92.6	Very high	78 Å²	78	69.7 Å²	69.7	48%	0.479	39%	0.385	S	S	.	.	S	Bend	trans	-73.6	132	-177.3	-55.2	0	0	0	0	110.6	F356 I446 A561	F356-T559 WeakPolarHBondContact CB-O 3.46Å; F356-T559 WeakPolarHBondContact CG-O 3.28Å; I446-T559 HydrophobicContact CD1-CG2 3.92Å; I446-T559 HydrophobicContact CG1-CG2 4.25Å; T559-A561 PolarHBondContact O-N 3.21Å
560	V	86.1	Confident	92.3	Very high	127 Å²	127	71.6 Å²	71.6	77%	0.77	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-58.9	128.1	178.3	-179.2	0	0	0	0	110.3
561	A	89.8	Confident	92	Very high	10 Å²	10	77.6 Å²	77.6	8%	0.083	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-61.8	136.7	174.1	0	0	0	0	0	111.3	Q92 I96 F356 T559	Q92-A561 HydrophobicContact CG-CB 4.19Å; Q92-A561 VanDerWaalsContact NE2-CB 3.27Å; I96-A561 HydrophobicContact CD1-CB 4.3Å; F356-A561 HydrophobicContact CD1-CB 3.93Å; F356-A561 HydrophobicContact CE1-CB 3.59Å; F356-A561 HydrophobicContact CZ-CB 3.92Å; T559-A561 PolarHBondContact O-N 3.21Å
562	P	93.1	Very high	91.7	Very high	37 Å²	37	75.8 Å²	75.8	24%	0.24	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-72.8	152	176.6	32.3	-35.9	0	0	0	111.9	Q132 Y133 F564	Q132-P562 PolarHBondContact NE2-O 2.86Å; Y133-P562 WeakPolarHBondContact OH-CG 2.72Å; P562-F564 HydrophobicContact CB-CE1 3.76Å; P562-F564 HydrophobicContact CB-CE2 3.91Å; P562-F564 HydrophobicContact CB-CZ 3.36Å; P562-F564 HydrophobicContact CG-CE2 3.93Å; P562-F564 HydrophobicContact CG-CZ 3.72Å
563	Y	93.9	Very high	91.3	Very high	69 Å²	69	77.9 Å²	77.9	27%	0.271	42%	0.421	S	S	.	.			trans	-135.4	109.6	178.1	-175.4	-119.6	0	0	0	110	A93 I96 F565	A93-Y563 HydrophobicContact CB-CD2 4.05Å; A93-Y563 HydrophobicContact CB-CE2 3.77Å; I96-Y563 HydrophobicContact CB-CD2 4.1Å; I96-Y563 HydrophobicContact CB-CE2 4.33Å; I96-Y563 HydrophobicContact CD1-CD2 4Å; I96-Y563 HydrophobicContact CD1-CG 4.37Å; I96-Y563 HydrophobicContact CG2-CD2 3.88Å; I96-Y563 HydrophobicContact CG2-CE2 4.14Å; I96-Y563 HydrophobicContact CG2-CG 4.09Å; Y563-F565 HydrophobicContact CD1-CB 3.99Å; Y563-F565 HydrophobicContact CE1-CB 3.31Å; Y563-F565 HydrophobicContact CE1-CG 4.07Å; Y563-F565 HydrophobicContact CE2-CB 4.04Å; Y563-F565 AromaticContact CZ-CG 3.89Å; Y563-F565 WeakPolarHBondContact OH-CB 3.31Å; Y563-F565 VanDerWaalsContact OH-CD2 3.28Å; Y563-F565 WeakPolarHBondContact OH-CD2 3.3Å; Y563-F565 WeakPolarHBondContact OH-CG 3.2Å
564	F	91.7	Very high	90.8	Very high	27 Å²	27	82.1 Å²	82.1	12%	0.118	44%	0.438	C	S	.	.			trans	-103.6	31.5	-169.5	-53.2	-59.5	0	0	0	113.7	Q132 Y133 Y440 P441 P562 N566 E567 Q568	Q132-F564 HydrophobicContact CB-CD2 4.49Å; Q132-F564 HydrophobicContact CG-CD2 4.15Å; Y133-F564 HydrophobicContact CD1-CE2 4.18Å; Y133-F564 AromaticContact CE1-CE2 3.69Å; Y133-F564 HydrophobicContact CE1-CE2 3.69Å; Y440-F564 HydrophobicContact CD2-CD2 4.41Å; P441-F564 HydrophobicContact CB-CZ 4.43Å; P441-F564 HydrophobicContact CG-CE1 4.43Å; P441-F564 HydrophobicContact CG-CE2 4.25Å; P441-F564 HydrophobicContact CG-CZ 3.71Å; P562-F564 HydrophobicContact CB-CE1 3.76Å; P562-F564 HydrophobicContact CB-CE2 3.91Å; P562-F564 HydrophobicContact CB-CZ 3.36Å; P562-F564 HydrophobicContact CG-CE2 3.93Å; P562-F564 HydrophobicContact CG-CZ 3.72Å; F564-N566 VanDerWaalsContact C-N 3.32Å; F564-N566 PolarHBondContact O-N 2.85Å; F564-E567 WeakPolarHBondContact CA-OE2 3.29Å; F564-E567 HydrophobicContact CB-CB 4.4Å; F564-E567 PolarHBondContact O-N 2.81Å; F564-E567 VanDerWaalsContact O-OE2 3.1Å; F564-Q568 VanDerWaalsContact O-CG 3.3Å; F564-Q568 WeakPolarHBondContact O-CG 3.3Å; F564-Q568 PolarHBondContact O-N 3.49Å; F564-Q568 PolarHBondContact O-NE2 2.97Å
565	F	88	Confident	90.5	Very high	71 Å²	71	78 Å²	78	31%	0.311	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-62.4	-36.4	-172.4	-179	-96.3	0	0	0	113.6	Y143 F148 Y563 E567	Y143-F565 WeakPolarHBondContact OH-CE2 3.04Å; F148-F565 HydrophobicContact CE1-CD2 4.44Å; F148-F565 HydrophobicContact CE1-CE2 4.09Å; Y563-F565 HydrophobicContact CD1-CB 3.99Å; Y563-F565 HydrophobicContact CE1-CB 3.31Å; Y563-F565 HydrophobicContact CE1-CG 4.07Å; Y563-F565 HydrophobicContact CE2-CB 4.04Å; Y563-F565 AromaticContact CZ-CG 3.89Å; Y563-F565 WeakPolarHBondContact OH-CB 3.31Å; Y563-F565 VanDerWaalsContact OH-CD2 3.28Å; Y563-F565 WeakPolarHBondContact OH-CD2 3.3Å; Y563-F565 WeakPolarHBondContact OH-CG 3.2Å; F565-E567 VanDerWaalsContact C-N 3.28Å; F565-E567 PolarHBondContact N-OE2 2.75Å; F565-E567 PolarHBondContact O-N 2.78Å
566	N	88.1	Confident	90.2	Very high	149 Å²	149	83.5 Å²	83.5	80%	0.797	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-79.3	-15.8	-178	-65.4	-33	0	0	0	112.4	F564	F564-N566 VanDerWaalsContact C-N 3.32Å; F564-N566 PolarHBondContact O-N 2.85Å
567	E	88.9	Confident	90	Very high	95 Å²	95	87.2 Å²	87.2	44%	0.444	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-95.2	-10.8	-178.8	-59.2	82.5	171.3	0	0	112.4	Y440 F564 F565	Y440-E567 HydrophobicContact CD1-CB 3.81Å; Y440-E567 HydrophobicContact CE1-CB 4.36Å; Y440-E567 VanDerWaalsContact CE1-O 3.31Å; Y440-E567 WeakPolarHBondContact CE1-O 3.28Å; F564-E567 WeakPolarHBondContact CA-OE2 3.29Å; F564-E567 HydrophobicContact CB-CB 4.4Å; F564-E567 PolarHBondContact O-N 2.81Å; F564-E567 VanDerWaalsContact O-OE2 3.1Å; F565-E567 VanDerWaalsContact C-N 3.28Å; F565-E567 PolarHBondContact N-OE2 2.75Å; F565-E567 PolarHBondContact O-N 2.78Å
568	Q	89.6	Confident	90	Very high	30 Å²	30	89.4 Å²	89.4	14%	0.14	47%	0.468	C	S	.	.			trans	-62	136.3	-179.7	-64.8	-53	-66.9	0	0	111.6	Q132 Y143 Y440 F564	Q132-Q568 PolarHBondContact O-NE2 3.4Å; Y143-Q568 HydrophobicContact CD1-CB 4.19Å; Y143-Q568 HydrophobicContact CD2-CB 4.46Å; Y143-Q568 HydrophobicContact CD2-CG 4.25Å; Y143-Q568 HydrophobicContact CG-CB 3.89Å; Y143-Q568 HydrophobicContact CG-CG 4.18Å; Y440-Q568 PolarHBondContact OH-OE1 3.13Å; F564-Q568 VanDerWaalsContact O-CG 3.3Å; F564-Q568 WeakPolarHBondContact O-CG 3.3Å; F564-Q568 PolarHBondContact O-N 3.49Å; F564-Q568 PolarHBondContact O-NE2 2.97Å
569	F	88.9	Confident	90	Very high	57 Å²	57	93 Å²	93	25%	0.25	48%	0.483	C	S	.	.			trans	-117	155.7	175.3	57.9	-92.9	0	0	0	110	G142 Y143 P439 Y440 F571	G142-F569 CarbonylContact C-O 3.5Å; G142-F569 VanDerWaalsContact CA-O 3.3Å; G142-F569 WeakPolarHBondContact CA-O 3.15Å; Y143-F569 PolarHBondContact N-O 2.86Å; P439-F569 HydrophobicContact CG-CD1 4Å; P439-F569 HydrophobicContact CG-CE1 3.45Å; P439-F569 VanDerWaalsContact CG-CE1 3.45Å; P439-F569 HydrophobicContact CG-CZ 4.4Å; Y440-F569 AromaticContact CE1-CD1 3.8Å; Y440-F569 HydrophobicContact CE1-CD1 3.8Å; Y440-F569 AromaticContact CE1-CE1 3.64Å; Y440-F569 HydrophobicContact CE1-CE1 3.64Å; Y440-F569 AromaticContact CZ-CE1 3.68Å; Y440-F569 WeakPolarHBondContact OH-CE1 3.3Å; F569-F571 AromaticContact CD2-CD2 3.55Å; F569-F571 HydrophobicContact CD2-CD2 3.55Å; F569-F571 AromaticContact CD2-CE2 3.16Å; F569-F571 HydrophobicContact CD2-CE2 3.16Å; F569-F571 HydrophobicContact CD2-CZ 4.02Å; F569-F571 AromaticContact CE2-CD2 3.82Å; F569-F571 HydrophobicContact CE2-CD2 3.82Å; F569-F571 AromaticContact CE2-CE2 3.45Å; F569-F571 HydrophobicContact CE2-CE2 3.45Å; F569-F571 VanDerWaalsContact CE2-CE2 3.45Å; F569-F571 HydrophobicContact CG-CE2 4.09Å
570	S	91.6	Very high	90.2	Very high	59 Å²	59	90.7 Å²	90.7	41%	0.413	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-134.9	128.9	173.6	-166.9	0	0	0	0	109.7	Y143	Y143-S570 WeakPolarHBondContact O-CB 3.44Å; Y143-S570 PolarHBondContact O-OG 2.96Å
571	F	91.8	Very high	90.4	Very high	146 Å²	146	88.6 Å²	88.6	64%	0.64	46%	0.461	S	S	*	.			trans	-110.6	9.6	172.4	-59.9	-71.1	0	0	0	112	L141 F569	L141-F571 HydrophobicContact CB-CB 4.15Å; L141-F571 PolarHBondContact O-N 3.09Å; F569-F571 AromaticContact CD2-CD2 3.55Å; F569-F571 HydrophobicContact CD2-CD2 3.55Å; F569-F571 AromaticContact CD2-CE2 3.16Å; F569-F571 HydrophobicContact CD2-CE2 3.16Å; F569-F571 HydrophobicContact CD2-CZ 4.02Å; F569-F571 AromaticContact CE2-CD2 3.82Å; F569-F571 HydrophobicContact CE2-CD2 3.82Å; F569-F571 AromaticContact CE2-CE2 3.45Å; F569-F571 HydrophobicContact CE2-CE2 3.45Å; F569-F571 VanDerWaalsContact CE2-CE2 3.45Å; F569-F571 HydrophobicContact CG-CE2 4.09Å
572	V	89.7	Confident	90.5	Very high	32 Å²	32	95.7 Å²	95.7	19%	0.194	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-65.6	126.9	173.5	179.1	0	0	0	0	109.2	I45 S140 L141 V144 K574	I45-V572 HydrophobicContact CD1-CG1 3.57Å; I45-V572 HydrophobicContact CD1-CG2 4.35Å; S140-V572 VanDerWaalsContact O-CG2 3.3Å; S140-V572 WeakPolarHBondContact O-CG2 3.49Å; L141-V572 HydrophobicContact CB-CG2 4.11Å; V144-V572 HydrophobicContact CG2-CG2 3.93Å; V572-K574 PolarHBondContact O-N 3.43Å
573	P	88.4	Confident	90.3	Very high	110 Å²	110	104.9 Å²	104.9	71%	0.714	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-58.8	133.7	175.3	-24.3	34.6	0	0	0	111.9
574	K	86.1	Confident	90.3	Very high	188 Å²	188	106.2 Å²	106.2	82%	0.817	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-78	140.4	175.5	-64.6	-174.4	178.2	-175	0	110.7	V572 L576	V572-K574 PolarHBondContact O-N 3.43Å; K574-L576 PolarHBondContact O-N 3.48Å
575	I	87.8	Confident	90.5	Very high	123 Å²	123	109.2 Å²	109.2	63%	0.631	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-64.5	122.6	168.5	-57.7	172.5	0	0	0	108.2
576	L	89.1	Confident	90.9	Very high	153 Å²	153	112.9 Å²	112.9	80%	0.801	57%	0.573	S	S	*	*			trans	-88.6	-49.1	-176.7	-64.1	178.7	0	0	0	112.3	K574	K574-L576 PolarHBondContact O-N 3.48Å
577	F	90.8	Very high	91.2	Very high	160 Å²	160	109.5 Å²	109.5	70%	0.702	57%	0.574	S	S	*	*			trans	-167.3	150.9	177.3	56.6	-89.3	0	0	0	109.6	T579	F577-T579 HydrophobicContact CD2-CG2 3.68Å; F577-T579 HydrophobicContact CE2-CG2 3.74Å
578	D	93.4	Very high	91.5	Very high	122 Å²	122	107.6 Å²	107.6	65%	0.652	57%	0.569	S	S	*	*			trans	-97	148.9	170	-62.4	-75.6	0	0	0	110.5	F586	D578-F586 HydrophobicContact CB-CE1 3.99Å; D578-F586 HydrophobicContact CB-CZ 3.89Å
579	T	93.9	Very high	91.7	Very high	109 Å²	109	110 Å²	110	67%	0.669	59%	0.586	S	S	*	*			trans	-129.3	142.4	170.4	62.3	0	0	0	0	111	F577	F577-T579 HydrophobicContact CD2-CG2 3.68Å; F577-T579 HydrophobicContact CE2-CG2 3.74Å
580	A	93	Very high	91.9	Very high	30 Å²	30	114.9 Å²	114.9	25%	0.248	61%	0.612	C	S	.	*	P	Polyproline II helix	trans	-89.3	158.4	168.8	0	0	0	0	0	110	E584 F586	A580-E584 WeakPolarHBondContact CB-O 3.37Å; A580-F586 HydrophobicContact CB-CD1 3.97Å; A580-F586 HydrophobicContact CB-CE1 3.99Å; A580-F586 HydrophobicContact CB-CG 4.24Å; A580-F586 HydrophobicContact CB-CZ 4.28Å
581	P	91.3	Very high	92	Very high	84 Å²	84	120.9 Å²	120.9	55%	0.545	63%	0.631	S	S	.	*	S	Bend	trans	-50.6	150.1	170.5	-26.5	35.1	0	0	0	112.4	R583 E584	P581-R583 PolarHBondContact O-N 3.09Å; P581-R583 VanDerWaalsContact O-N 3.13Å; P581-E584 HydrophobicContact CB-CB 4.31Å; P581-E584 HydrophobicContact CB-CG 4.35Å; P581-E584 PolarHBondContact O-N 3.04Å
582	L	90.7	Very high	92.2	Very high	159 Å²	159	120.3 Å²	120.3	83%	0.832	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	121.9	-175.7	-177.6	65.6	0	0	0	111.2	E584	L582-E584 VanDerWaalsContact C-N 3.3Å; L582-E584 PolarHBondContact O-N 3.12Å
583	R	89.6	Confident	92.5	Very high	230 Å²	230	122.8 Å²	122.8	87%	0.868	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.9	7.6	-178.8	-59.3	168.6	-179.3	-178.8	0.7	116.3	P581	P581-R583 PolarHBondContact O-N 3.09Å; P581-R583 VanDerWaalsContact O-N 3.13Å
584	E	94	Very high	92.7	Very high	97 Å²	97	122.9 Å²	122.9	45%	0.453	64%	0.642	S	S	.	*			trans	-107	138.1	175.3	-61.4	-61.9	169	0	0	110.7	A580 P581 L582 T588	A580-E584 WeakPolarHBondContact CB-O 3.37Å; P581-E584 HydrophobicContact CB-CB 4.31Å; P581-E584 HydrophobicContact CB-CG 4.35Å; P581-E584 PolarHBondContact O-N 3.04Å; L582-E584 VanDerWaalsContact C-N 3.3Å; L582-E584 PolarHBondContact O-N 3.12Å; E584-T588 HydrophobicContact CB-CG2 4.28Å; E584-T588 HydrophobicContact CG-CG2 4.22Å; E584-T588 WeakPolarHBondContact OE2-CG2 3.47Å; E584-T588 PolarHBondContact OE2-OG1 3.28Å
585	P	95.2	Very high	93	Very high	89 Å²	89	120 Å²	120	58%	0.578	65%	0.645	S	S	*	*			trans	-72.5	159.5	167.9	30.9	-34.6	0	0	0	111.1	G587 T588	P585-G587 PolarHBondContact O-N 3.16Å; P585-T588 VanDerWaalsContact CD-OG1 3.31Å; P585-T588 WeakPolarHBondContact CD-OG1 3.46Å; P585-T588 PolarHBondContact O-N 3.47Å; P585-T588 PolarHBondContact O-OG1 3.29Å
586	F	95.9	Very high	93.2	Very high	148 Å²	148	118 Å²	118	65%	0.649	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	137.8	166.8	-67	-73.8	0	0	0	110.5	D578 A580	D578-F586 HydrophobicContact CB-CE1 3.99Å; D578-F586 HydrophobicContact CB-CZ 3.89Å; A580-F586 HydrophobicContact CB-CD1 3.97Å; A580-F586 HydrophobicContact CB-CE1 3.99Å; A580-F586 HydrophobicContact CB-CG 4.24Å; A580-F586 HydrophobicContact CB-CZ 4.28Å
587	G	95.8	Very high	93.3	Very high	78 Å²	78	118 Å²	118	80%	0.804	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.9	-0.7	-176.8	0	0	0	0	0	115.1	P585 V589	P585-G587 PolarHBondContact O-N 3.16Å; G587-V589 PolarHBondContact O-N 2.92Å
588	T	95.1	Very high	93	Very high	55 Å²	55	119.8 Å²	119.8	34%	0.337	63%	0.632	S	S	.	*			trans	-60.6	129.3	172.5	-59.7	0	0	0	0	111.1	E584 P585 I590	E584-T588 HydrophobicContact CB-CG2 4.28Å; E584-T588 HydrophobicContact CG-CG2 4.22Å; E584-T588 WeakPolarHBondContact OE2-CG2 3.47Å; E584-T588 PolarHBondContact OE2-OG1 3.28Å; P585-T588 VanDerWaalsContact CD-OG1 3.31Å; P585-T588 WeakPolarHBondContact CD-OG1 3.46Å; P585-T588 PolarHBondContact O-N 3.47Å; P585-T588 PolarHBondContact O-OG1 3.29Å; T588-I590 PolarHBondContact O-N 3.39Å
589	V	94.4	Very high	92.2	Very high	82 Å²	82	121.4 Å²	121.4	50%	0.497	63%	0.634	S	S	.	*			trans	-73.4	108.1	-179	-178.6	0	0	0	0	110.3	G587 K591 Q592	G587-V589 PolarHBondContact O-N 2.92Å; V589-K591 WeakPolarHBondContact CG1-O 3.45Å; V589-Q592 HydrophobicContact CG1-CG 4.15Å
590	I	91.9	Very high	91.4	Very high	159 Å²	159	123 Å²	123	82%	0.815	64%	0.637	S	S	*	*	S	Bend	trans	-75.1	-33	178.1	-58.6	173.8	0	0	0	111.5	T588	T588-I590 PolarHBondContact O-N 3.39Å
591	K	95	Very high	90.4	Very high	185 Å²	185	130.4 Å²	130.4	80%	0.804	66%	0.66	S	S	*	*	S	Bend	trans	-142.3	115.4	-179.8	-174.9	177	179.2	-179.1	0	110.4	V589	V589-K591 WeakPolarHBondContact CG1-O 3.45Å
592	Q	95.8	Very high	89.4	Confident	134 Å²	134	133.9 Å²	133.9	63%	0.626	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-70.7	152.1	175.5	-68.7	-68.7	-7.1	0	0	111.2	V589	V589-Q592 HydrophobicContact CG1-CG 4.15Å
593	P	94.9	Very high	88	Confident	83 Å²	83	135.6 Å²	135.6	54%	0.539	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-65.2	158.6	173.2	29.8	-35.1	0	0	0	111.2	Y597	P593-Y597 HydrophobicContact CB-CE2 4.11Å; P593-Y597 WeakPolarHBondContact CB-OH 3.48Å
594	N	93.5	Very high	86.3	Confident	113 Å²	113	133.5 Å²	133.5	60%	0.604	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-62	145.7	166.4	-71	-16.4	0	0	0	109.6	T596	N594-T596 PolarHBondContact O-N 3.5Å
595	S	92.9	Very high	86	Confident	128 Å²	128	135.4 Å²	135.4	90%	0.895	71%	0.709	S	S	*	*	S	Bend	trans	-63.8	-22.1	177	55.5	0	0	0	0	113.2
596	T	91.9	Very high	85.5	Confident	79 Å²	79	137.8 Å²	137.8	49%	0.485	72%	0.716	S	S	.	*			trans	-150.9	132.3	176.9	-55.8	0	0	0	0	108.7	N594 Y598 K599	N594-T596 PolarHBondContact O-N 3.5Å; T596-Y598 WeakPolarHBondContact CG2-O 3.23Å; T596-K599 HydrophobicContact CG2-CG 4.18Å
597	Y	90.2	Very high	84.9	Confident	153 Å²	153	137.2 Å²	137.2	60%	0.6	72%	0.72	S	S	*	*	S	Bend	trans	-96	-42.5	175.2	-73	-92.6	0	0	0	111.9	P593	P593-Y597 HydrophobicContact CB-CE2 4.11Å; P593-Y597 WeakPolarHBondContact CB-OH 3.48Å
598	Y	85.6	Confident	84.3	Confident	198 Å²	198	140.7 Å²	140.7	78%	0.776	72%	0.715	S	S	*	*			trans	-135.9	134.8	177.8	-56.2	-79.3	0	0	0	109.7	T596	T596-Y598 WeakPolarHBondContact CG2-O 3.23Å
599	K	75.3	Confident	83.6	Confident	157 Å²	157	146.1 Å²	146.1	68%	0.683	74%	0.739	S	S	*	*			trans	-91.6	104.4	163.4	-74.6	-175.2	179.9	178.5	0	107.5	T596 Y601	T596-K599 HydrophobicContact CG2-CG 4.18Å; K599-Y601 HydrophobicContact CB-CD2 4.41Å; K599-Y601 HydrophobicContact CB-CE2 3.83Å; K599-Y601 PolarHBondContact O-N 2.78Å
600	I	76.7	Confident	82.9	Confident	143 Å²	143	150.3 Å²	150.3	73%	0.733	76%	0.755	S	S	*	*			trans	-82.6	106.7	172.2	-53.9	176.3	0	0	0	106.3	L602	I600-L602 HydrophobicContact CG2-CD2 4.43Å; I600-L602 PolarHBondContact O-N 3.29Å
601	Y	73.3	Confident	82.2	Confident	185 Å²	185	149.7 Å²	149.7	73%	0.725	75%	0.751	S	S	*	*			trans	-82	106.1	167.1	-64.4	-85.8	0	0	0	106.7	K599 E603	K599-Y601 HydrophobicContact CB-CD2 4.41Å; K599-Y601 HydrophobicContact CB-CE2 3.83Å; K599-Y601 PolarHBondContact O-N 2.78Å; Y601-E603 PolarHBondContact O-N 3.44Å
602	L	68.7	Low	81.2	Confident	156 Å²	156	147 Å²	147	82%	0.817	75%	0.746	S	S	*	*			trans	-70.9	111.1	165.3	-67.3	170.1	0	0	0	106	I600 S604	I600-L602 HydrophobicContact CG2-CD2 4.43Å; I600-L602 PolarHBondContact O-N 3.29Å; L602-S604 PolarHBondContact O-N 3.32Å
603	E	62.2	Low	80	Confident	195 Å²	195	148.1 Å²	148.1	91%	0.911	76%	0.756	S	S	*	*			trans	-61.1	118.1	164.3	-73.1	-176.2	167.7	0	0	107.1	Y601	Y601-E603 PolarHBondContact O-N 3.44Å
604	S	55	Low	78.7	Confident	187 Å²	187	154 Å²	154	100%	1.308	78%	0.776	S	S	*	*			trans	-72.4	0	179.1	57	0	0	0	0	112.6	L602	L602-S604 PolarHBondContact O-N 3.32Å

Retrieved 604 of 604 residues in 1138.3 ms (Link to these results)

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