A0A3Q0KQS9_SCHMA Loading...

DNA topoisomerase

Introduces a single-strand break via transesterification at a target site in duplex DNA. Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand.

AlphaFold DB , UniProt , Accession A0A3Q0KQS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,183 aa.

						>A0A3Q0KQS9_SCHMA|A0A3Q0KQS9
MISKCLRLLLIISDFPTASGVRRFTMKILNVAEKNDAAKNISEILSRGGYHRREGISKFNKIYEFPMNLNGQNVMMVMTSVSGHLTNYDFLPNYKSWHSCNPMVLFDAPIVKQVLKDYEPIKQTLQREVRSCQKLIIWTDCDREGENIGVEVIDVCREIKPNIEILRARFSEITPAAVHRAVDRLTIPDYNASTAVDVRQELDLRIGAAFTRFQTLRLRRVFPQALSDQLISYGSCQFPTLGFVVERFREVDQFVSEPFWRIVVTVSRDEKTTEFQWQRGRLFDQDCCRAYYEHLNQNRYGQIVEVIKRPKTKWRPTALDTVELEKLASRKLQMGAKYAMQLAERLYNKGFISYPRTETKIFPPDLDLKSLVHVQINDSRWSDFATRILERGPNPKNGKSSDKAHPPIHPLKVGDSLQGDEARLYELVTRHFLACLSTDAEGAETIVRLCIGKPTLPRTFNSSISTANLLTSEDGELFESKGLMILALNYLEVYIYDRWAEKDMPVFQLGEWILPDNIQVLTGQTCPPPLLTEADLISLMDRHGIGTDATHAEHIETIKQRLYVGLEQNKFLVPGQLGMGLVEGYDSMGFEMSKPNLRSEFEADLKLICEGRKTKEEVLHHHLNKYKELFRLALNQASFLDRALALRLEQEAENVQNISGSVGEMASFAASNNTIDGHNQSNVLNPVVAFCPTCHSGLVLRQKRSALRPLTTSSNLSNNSGSNEVNQTSNGGWFLSCSGYPNCRYAIWFPDSVIHVRVLSETNENTCNRCADFIPSSSVRPSNDQLRPLKLGLRFRRNFYLPNGYIQDDDTKEYITCIFCDEDICRILGIHIRLVNNSSISSQTTVSNELIANRDPLPSQTRNFSSSLPPSSFSSTGIDSNHNFSNLLHAKPYLNLHPTSNHSSHNTLPRSPNFSRSVDNAEAGDSDNILCNCGHSAIQLTVKKPGPNQGRLFYRCPGLAGNSCDFFLWKSQTTPITIAQSSPLYSSTQVSLRNVIDPCSRLENVSENANCVSDRTSGLGSSDSNSACVICRCGEPAKLLVVNKQSSNKGRHFYACPNSRPNVDGGPASGCNFFQWADHIDPASGQSDSSSYGLSNRRYASGSSIEQGLSYHRTAANAETNISVGHVPSWPPPASNNSRGAISRNKNRDFKDRSLSASSSVTRCCGLCRQPGHTRNRCPHSTT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.4	Very low	41.5	Very low	226 Å²	226	168.3 Å²	168.3	100%	1.113	86%	0.855	S	S	*	*				0	115.7	0	-69	168.8	172.2	0	0	107.7
2	I	39.1	Very low	41.4	Very low	172 Å²	172	166.3 Å²	166.3	88%	0.882	85%	0.846	S	S	*	*				63	64.6	99	-50.9	162.4	0	0	0	112.1
3	S	38.4	Very low	41.2	Very low	102 Å²	102	160.7 Å²	160.7	71%	0.713	83%	0.831	S	S	*	*			trans	-164	161.7	148.4	-166.7	0	0	0	0	109.6	C5	S3-C5 PolarHBondContact O-N 2.9Å
4	K	41.7	Very low	41	Very low	201 Å²	201	160.9 Å²	160.9	87%	0.874	83%	0.834	S	S	*	*	S	Bend	trans	66.3	10.2	175.3	-57.5	-172.7	178.5	178.9	0	119.3	L6	K4-L6 VanDerWaalsContact C-N 3.27Å; K4-L6 PolarHBondContact O-N 3.33Å
5	C	45.6	Very low	40.7	Very low	124 Å²	124	162.9 Å²	162.9	84%	0.838	83%	0.834	S	S	*	*			trans	-78.7	0.8	165.1	-73.6	0	0	0	0	114.9	S3	S3-C5 PolarHBondContact O-N 2.9Å
6	L	43.6	Very low	40.4	Very low	153 Å²	153	159.8 Å²	159.8	80%	0.801	83%	0.828	S	S	*	*			trans	-113	92.6	178.4	-93.9	73.5	0	0	0	111.8	K4	K4-L6 VanDerWaalsContact C-N 3.27Å; K4-L6 PolarHBondContact O-N 3.33Å
7	R	44.7	Very low	40	Very low	249 Å²	249	158.4 Å²	158.4	94%	0.94	83%	0.829	S	S	*	*	S	Bend	trans	-157.4	14.5	153.8	-124.8	179.3	-167.8	-164.9	2.3	115.5
8	L	44.5	Very low	39.8	Very low	168 Å²	168	154.5 Å²	154.5	88%	0.88	82%	0.823	S	S	*	*	S	Bend	trans	-123.3	32.5	-174.6	-152.4	77.5	0	0	0	112.6
9	L	38.3	Very low	39.5	Very low	126 Å²	126	153.2 Å²	153.2	66%	0.66	83%	0.827	S	S	*	*			trans	-135.3	63.4	-176	-83.9	171.3	0	0	0	112	I12	L9-I12 HydrophobicContact CD2-CD1 3.73Å; L9-I12 HydrophobicContact CD2-CG1 4.46Å
10	L	41.3	Very low	39.2	Very low	165 Å²	165	149 Å²	149	86%	0.864	82%	0.821	S	S	*	*	S	Bend	trans	-139.4	152.7	153.6	-76.5	179.6	0	0	0	107.4
11	I	41.3	Very low	39.2	Very low	165 Å²	165	148 Å²	148	85%	0.846	82%	0.82	S	S	*	*			trans	67.6	58.6	-167.1	-40.6	177.6	0	0	0	112.3
12	I	40.6	Very low	39.6	Very low	145 Å²	145	147.8 Å²	147.8	74%	0.744	81%	0.807	S	S	*	*			trans	-95.2	100	148.2	-62.8	174.7	0	0	0	106.6	L9	L9-I12 HydrophobicContact CD2-CD1 3.73Å; L9-I12 HydrophobicContact CD2-CG1 4.46Å
13	S	38.4	Very low	40.1	Very low	93 Å²	93	150.3 Å²	150.3	65%	0.65	81%	0.805	S	S	*	*			trans	-177.9	79.3	162.7	54.9	0	0	0	0	110.9
14	D	37.9	Very low	41.1	Very low	163 Å²	163	149.4 Å²	149.4	87%	0.872	79%	0.788	S	S	*	*			trans	-165.4	156.3	139.1	-109	-32	0	0	0	114.5
15	F	37	Very low	42.5	Very low	191 Å²	191	145.5 Å²	145.5	84%	0.838	78%	0.782	S	S	*	*			trans	-80.3	170.9	-164.9	-81.9	-119.2	0	0	0	114.8
16	P	35.5	Very low	44.7	Very low	114 Å²	114	141 Å²	141	74%	0.74	75%	0.749	S	S	*	*			cis	-134.3	179.8	-25.7	33.3	-14.4	0	0	0	114.3
17	T	34	Very low	47.2	Very low	136 Å²	136	136.5 Å²	136.5	83%	0.834	72%	0.722	S	S	*	*			trans	-76	171.9	163.2	44.8	0	0	0	0	113.2
18	A	36.4	Very low	49.7	Very low	88 Å²	88	124.6 Å²	124.6	73%	0.727	68%	0.678	S	S	*	*	S	Bend	trans	72.4	113.3	169.6	0	0	0	0	0	119.1	G20	A18-G20 PolarHBondContact O-N 3.11Å
19	S	33.5	Very low	52.3	Low	129 Å²	129	116.6 Å²	116.6	90%	0.902	64%	0.636	S	S	*	*			trans	53.1	27.2	142.5	-53.6	0	0	0	0	120.4	V21	S19-V21 PolarHBondContact O-N 3.26Å
20	G	33.3	Very low	55.2	Low	69 Å²	69	110.6 Å²	110.6	71%	0.711	60%	0.604	S	S	*	*			trans	-83	96.4	171.1	0	0	0	0	0	113.8	A18 R22	A18-G20 PolarHBondContact O-N 3.11Å; G20-R22 PolarHBondContact O-N 3.02Å
21	V	40.1	Very low	57.9	Low	130 Å²	130	102.8 Å²	102.8	79%	0.788	56%	0.563	S	S	*	*			trans	-66.9	100.7	167.7	178.6	0	0	0	0	109	S19 R23	S19-V21 PolarHBondContact O-N 3.26Å; V21-R23 PolarHBondContact O-N 2.86Å
22	R	45.7	Very low	60.6	Low	221 Å²	221	95 Å²	95	83%	0.834	52%	0.523	S	S	*	.			trans	-63.1	94.8	171.5	-73.8	-172	176	-169	-0.8	109.4	G20 F24	G20-R22 PolarHBondContact O-N 3.02Å; R22-F24 VanDerWaalsContact O-CD2 3.31Å; R22-F24 WeakPolarHBondContact O-CD2 3.39Å; R22-F24 PolarHBondContact O-N 3.06Å
23	R	51.1	Low	63.3	Low	224 Å²	224	88.9 Å²	88.9	85%	0.845	49%	0.492	S	S	*	.			trans	-65.8	96.2	173.2	-76.9	-178.1	171	172.1	-2.7	109.6	V21 T25	V21-R23 PolarHBondContact O-N 2.86Å; R23-T25 PolarHBondContact O-N 3.46Å
24	F	59.8	Low	65.9	Low	84 Å²	84	87 Å²	87	37%	0.368	47%	0.472	S	S	.	.			trans	-57.4	118.3	162.4	-64.7	-87.6	0	0	0	108.1	R22 M26 P66 M75	R22-F24 VanDerWaalsContact O-CD2 3.31Å; R22-F24 WeakPolarHBondContact O-CD2 3.39Å; R22-F24 PolarHBondContact O-N 3.06Å; F24-M26 PolarHBondContact O-N 3.33Å; F24-P66 HydrophobicContact CE1-CB 3.57Å; F24-P66 HydrophobicContact CZ-CB 3.65Å; F24-M75 HydrophobicContact CB-CB 4.1Å; F24-M75 HydrophobicContact CD2-CE 3.66Å; F24-M75 HydrophobicContact CE2-CE 3.62Å; F24-M75 HydrophobicContact CG-CB 4.21Å; F24-M75 HydrophobicContact CG-CE 4.21Å; F24-M75 HydrophobicContact CZ-CE 4.13Å
25	T	70.7	Confident	68.7	Low	119 Å²	119	80.6 Å²	80.6	73%	0.73	44%	0.437	S	S	*	.	S	Bend	trans	-76.3	-12.9	-172.3	49.3	0	0	0	0	113.3	R23	R23-T25 PolarHBondContact O-N 3.46Å
26	M	91.3	Very high	71.3	Confident	30 Å²	30	76 Å²	76	15%	0.148	42%	0.422	C	S	.	.			trans	-140.3	134	178.4	-178.7	173.6	-74	0	0	111.3	F24 I28 V74 M75 Q133 K134	F24-M26 PolarHBondContact O-N 3.33Å; M26-I28 HydrophobicContact CG-CG1 4.23Å; M26-I28 HydrophobicContact SD-CD1 4.41Å; M26-I28 HydrophobicContact SD-CG1 4.35Å; M26-V74 HydrophobicContact CB-CG1 4.21Å; M26-V74 HydrophobicContact CG-CG1 4.27Å; M26-V74 WeakPolarHBondContact O-CA 3.18Å; M26-V74 HydrophobicContact SD-CG1 4.22Å; M26-M75 PolarHBondContact O-N 3.39Å; M26-Q133 HydrophobicContact CE-CB 3.99Å; M26-Q133 HydrophobicContact CE-CG 4.39Å; M26-Q133 HydrophobicContact CG-CB 4Å; M26-Q133 HydrophobicContact CG-CG 4.31Å; M26-Q133 HydrophobicContact SD-CB 4.38Å; M26-K134 HydrophobicContact SD-CD 4.28Å; M26-K134 HydrophobicContact SD-CG 4.21Å
27	K	96.4	Very high	74	Confident	57 Å²	57	70.6 Å²	70.6	25%	0.248	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.9	165	-78.7	-168.7	166.8	-142.3	0	109.9	E64 M75 V77 S131 C132 Q133	K27-E64 IonicContact NZ-OE1 2.68Å; K27-E64 PolarHBondContact NZ-OE1 2.97Å; K27-M75 WeakPolarHBondContact CA-O 3.24Å; K27-M75 HydrophobicContact CG-CB 4.08Å; K27-M75 HydrophobicContact CG-CG 4.32Å; K27-V77 HydrophobicContact CB-CG2 4.47Å; K27-V77 HydrophobicContact CD-CG2 4.09Å; K27-V77 HydrophobicContact CG-CG2 4.38Å; K27-S131 WeakPolarHBondContact CD-OG 3.48Å; K27-C132 HydrophobicContact CB-CB 4.33Å; K27-C132 CarbonylContact O-C 3.54Å; K27-C132 WeakPolarHBondContact O-CA 3.38Å; K27-Q133 PolarHBondContact O-N 3.08Å; K27-Q133 PolarHBondContact O-OE1 2.69Å; K27-Q133 VanDerWaalsContact O-OE1 3.1Å
28	I	97.7	Very high	77	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.2	175	-60.4	-176.2	0	0	0	108.7	M26 N30 L69 V74 M75 M76 V77 K134 I136	M26-I28 HydrophobicContact CG-CG1 4.23Å; M26-I28 HydrophobicContact SD-CD1 4.41Å; M26-I28 HydrophobicContact SD-CG1 4.35Å; I28-N30 PolarHBondContact O-ND2 2.85Å; I28-L69 HydrophobicContact CD1-CD2 3.61Å; I28-V74 HydrophobicContact CD1-CB 4.2Å; I28-V74 HydrophobicContact CD1-CG1 4.05Å; I28-V74 HydrophobicContact CD1-CG2 4.17Å; I28-V74 HydrophobicContact CG1-CB 4.43Å; I28-M75 PolarHBondContact N-O 3.34Å; I28-M76 HydrophobicContact CB-SD 4.03Å; I28-M76 HydrophobicContact CD1-SD 4.38Å; I28-M76 HydrophobicContact CG2-SD 4.31Å; I28-V77 PolarHBondContact O-N 2.66Å; I28-K134 HydrophobicContact CD1-CB 4.47Å; I28-K134 HydrophobicContact CD1-CD 4.13Å; I28-K134 HydrophobicContact CD1-CG 4.47Å; I28-K134 HydrophobicContact CG1-CB 4.16Å; I28-K134 HydrophobicContact CG1-CG 4.35Å; I28-K134 HydrophobicContact CG2-CB 4.16Å; I28-I136 HydrophobicContact CG2-CD1 3.68Å; I28-I136 HydrophobicContact CG2-CG1 3.74Å
29	L	98.5	Very high	79.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130	171	-176.4	57.4	0	0	0	108	V31 V77 T79 E128 V129 C132 K134 L135 I136	L29-V31 HydrophobicContact CD1-CG2 4.31Å; L29-V31 HydrophobicContact CD2-CG2 4.33Å; L29-V31 HydrophobicContact CG-CG2 3.93Å; L29-V77 HydrophobicContact CD1-CG1 4.44Å; L29-T79 HydrophobicContact CD1-CG2 3.95Å; L29-E128 HydrophobicContact CD1-CB 3.99Å; L29-V129 HydrophobicContact CD2-CB 3.9Å; L29-V129 HydrophobicContact CD2-CG2 4.27Å; L29-C132 HydrophobicContact CB-CB 4.01Å; L29-K134 PolarHBondContact N-O 3.29Å; L29-L135 HydrophobicContact CB-CD1 4.15Å; L29-L135 HydrophobicContact CD2-CD1 4.13Å; L29-L135 HydrophobicContact CG-CD1 3.94Å; L29-L135 CarbonylContact O-C 3.55Å; L29-L135 VanDerWaalsContact O-CA 3.3Å; L29-L135 WeakPolarHBondContact O-CA 3.34Å; L29-I136 PolarHBondContact O-N 3.46Å
30	N	98.6	Very high	82.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.6	175.1	-66.1	-106.8	0	0	0	107.6	I28 M76 V77 M78 T79 I136 W138	I28-N30 PolarHBondContact O-ND2 2.85Å; N30-M76 WeakPolarHBondContact ND2-CE 3.19Å; N30-M76 WeakPolarHBondContact OD1-CE 3.32Å; N30-V77 PolarHBondContact N-O 3.47Å; N30-M78 HydrophobicContact CB-CB 4.18Å; N30-M78 HydrophobicContact CB-CE 3.54Å; N30-M78 HydrophobicContact CB-CG 4.45Å; N30-M78 HydrophobicContact CB-SD 3.47Å; N30-M78 WeakPolarHBondContact CB-SD 3.32Å; N30-M78 CarbonylContact O-C 3.54Å; N30-M78 WeakPolarHBondContact O-CA 3.29Å; N30-T79 PolarHBondContact O-N 3.37Å; N30-I136 WeakPolarHBondContact CA-O 3.39Å; N30-W138 PolarHBondContact OD1-NE1 3.4Å
31	V	98.7	Very high	85.7	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	112.6	-174.6	-171.5	0	0	0	0	111	L29 T79 V81 L125 L135 I136 W138 V152	L29-V31 HydrophobicContact CD1-CG2 4.31Å; L29-V31 HydrophobicContact CD2-CG2 4.33Å; L29-V31 HydrophobicContact CG-CG2 3.93Å; V31-T79 WeakPolarHBondContact CA-O 3.29Å; V31-T79 HydrophobicContact CG2-CG2 4.01Å; V31-V81 HydrophobicContact CG1-CG1 3.95Å; V31-L125 HydrophobicContact CG1-CD2 4.01Å; V31-L125 HydrophobicContact CG2-CD2 3.67Å; V31-L135 HydrophobicContact CG2-CD1 3.73Å; V31-I136 PolarHBondContact N-O 3.46Å; V31-W138 CarbonylContact O-C 3.48Å; V31-W138 WeakPolarHBondContact O-CA 3.3Å; V31-W138 PolarHBondContact O-N 2.71Å; V31-V152 HydrophobicContact CB-CG1 3.9Å; V31-V152 HydrophobicContact CG1-CG1 3.89Å; V31-V152 HydrophobicContact CG1-CG2 3.96Å; V31-V152 HydrophobicContact CG2-CG1 3.83Å
32	A	98.1	Very high	88.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	164.5	173	0	0	0	0	0	112.6	K34 A37 A38 I41 T79 S80 V81 W138	A32-K34 VanDerWaalsContact C-N 3.33Å; A32-K34 PolarHBondContact O-N 3.3Å; A32-A37 HydrophobicContact CB-CB 4.12Å; A32-A38 HydrophobicContact CB-CB 3.95Å; A32-I41 HydrophobicContact CB-CD1 4.46Å; A32-T79 PolarHBondContact N-O 2.89Å; A32-S80 CarbonylContact O-C 3.54Å; A32-S80 WeakPolarHBondContact O-CA 3.49Å; A32-S80 WeakPolarHBondContact O-CB 3.13Å; A32-V81 PolarHBondContact O-N 2.96Å; A32-W138 VanDerWaalsContact CA-O 3.32Å; A32-W138 WeakPolarHBondContact CA-O 3.35Å; A32-W138 HydrophobicContact CB-CB 4Å; A32-W138 WeakPolarHBondContact CB-O 3.39Å
33	E	96	Very high	90.8	Very high	17 Å²	17	42 Å²	42	8%	0.079	20%	0.197	C	C	.	.	S	Bend	trans	-67.3	-32.6	-177.8	-165.7	-178.8	122.1	0	0	113.6	V81 S82 G83 T139 D140 I148	E33-V81 CarbonylContact C-O 3.59Å; E33-V81 CarbonylContact O-C 3.56Å; E33-V81 WeakPolarHBondContact O-CG2 3.38Å; E33-S82 WeakPolarHBondContact O-CA 3.46Å; E33-S82 PolarHBondContact O-N 3.48Å; E33-G83 PolarHBondContact O-N 3.48Å; E33-T139 HydrophobicContact CB-CG2 4.12Å; E33-D140 PolarHBondContact OE2-N 2.93Å; E33-I148 HydrophobicContact CG-CD1 3.98Å
34	K	94.2	Very high	92.9	Very high	53 Å²	53	32.7 Å²	32.7	23%	0.23	16%	0.164	C	C	.	.	S	Bend	trans	-142.8	152	-171.8	-63.6	169.8	-170.3	138.1	0	109.7	A32 D36 A37 A38 S80 E344	A32-K34 VanDerWaalsContact C-N 3.33Å; A32-K34 PolarHBondContact O-N 3.3Å; K34-D36 VanDerWaalsContact C-N 3.31Å; K34-D36 PolarHBondContact O-N 3.06Å; K34-A37 PolarHBondContact O-N 3.43Å; K34-A38 PolarHBondContact O-N 3.45Å; K34-A38 VanDerWaalsContact O-N 3.15Å; K34-S80 VanDerWaalsContact C-CB 3.42Å; K34-S80 WeakPolarHBondContact O-CB 3.19Å; K34-E344 IonicContact NZ-OE1 2.73Å; K34-E344 PolarHBondContact NZ-OE1 3.29Å
35	N	95.9	Very high	94.6	Very high	29 Å²	29	29.2 Å²	29.2	16%	0.155	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-36.3	-174.1	-173.2	85.4	0	0	0	113.5	A38 K39 F59 K61 Y63 S80	N35-A38 PolarHBondContact O-N 3.32Å; N35-K39 PolarHBondContact O-N 3.12Å; N35-F59 WeakPolarHBondContact CB-O 3.27Å; N35-F59 VanDerWaalsContact CG-O 3.28Å; N35-F59 PolarHBondContact OD1-O 3.48Å; N35-K61 WeakPolarHBondContact OD1-CB 3.4Å; N35-K61 WeakPolarHBondContact OD1-CG 3.47Å; N35-K61 PolarHBondContact OD1-N 3.35Å; N35-Y63 PolarHBondContact ND2-OH 2.96Å; N35-Y63 VanDerWaalsContact ND2-OH 3.13Å; N35-S80 VanDerWaalsContact CA-OG 3.24Å; N35-S80 WeakPolarHBondContact CA-OG 3.26Å; N35-S80 PolarHBondContact N-OG 2.85Å
36	D	92.6	Very high	95.8	Very high	95 Å²	95	24.5 Å²	24.5	51%	0.508	12%	0.121	S	C	.	.	H	α-helix	trans	-69.8	-35.9	-178.2	-61.8	-31.6	0	0	0	112	K34 K39 N40	K34-D36 VanDerWaalsContact C-N 3.31Å; K34-D36 PolarHBondContact O-N 3.06Å; D36-K39 PolarHBondContact O-N 3.03Å; D36-N40 WeakPolarHBondContact O-CB 3.43Å; D36-N40 PolarHBondContact O-N 2.87Å; D36-N40 PolarHBondContact O-ND2 3.41Å
37	A	92.2	Very high	95.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-49	169.3	0	0	0	0	0	111.1	A32 K34 K39 N40 I41 I173	A32-A37 HydrophobicContact CB-CB 4.12Å; K34-A37 PolarHBondContact O-N 3.43Å; A37-K39 VanDerWaalsContact C-N 3.32Å; A37-K39 PolarHBondContact O-N 3.1Å; A37-N40 PolarHBondContact O-N 3.38Å; A37-I41 HydrophobicContact CB-CD1 4.42Å; A37-I41 WeakPolarHBondContact O-CB 3.18Å; A37-I41 WeakPolarHBondContact O-CD1 3.45Å; A37-I41 WeakPolarHBondContact O-CG1 3.43Å; A37-I41 PolarHBondContact O-N 3.18Å; A37-I173 HydrophobicContact CB-CD1 4.24Å
38	A	96.6	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57	-42.6	175.9	0	0	0	0	0	112.7	A32 K34 N35 S42 Y63 M78 T79	A32-A38 HydrophobicContact CB-CB 3.95Å; K34-A38 PolarHBondContact O-N 3.45Å; K34-A38 VanDerWaalsContact O-N 3.15Å; N35-A38 PolarHBondContact O-N 3.32Å; A38-S42 WeakPolarHBondContact O-CB 3.22Å; A38-S42 PolarHBondContact O-N 2.91Å; A38-S42 VanDerWaalsContact O-N 3.11Å; A38-S42 PolarHBondContact O-OG 3.42Å; A38-Y63 HydrophobicContact CB-CD2 4.36Å; A38-Y63 HydrophobicContact CB-CE2 4.26Å; A38-M78 HydrophobicContact CB-CG 3.91Å; A38-M78 HydrophobicContact CB-SD 4.32Å; A38-M78 WeakPolarHBondContact O-CG 3.45Å; A38-T79 WeakPolarHBondContact CB-O 3.39Å
39	K	96.4	Very high	95.6	Very high	58 Å²	58	35.5 Å²	35.5	25%	0.252	19%	0.19	S	C	.	.	H	α-helix	trans	-60.6	-54.9	174.3	-177.2	-167.6	167.9	-72.9	0	110.8	N35 D36 A37 I41 S42 E43 Y63	N35-K39 PolarHBondContact O-N 3.12Å; D36-K39 PolarHBondContact O-N 3.03Å; A37-K39 VanDerWaalsContact C-N 3.32Å; A37-K39 PolarHBondContact O-N 3.1Å; K39-I41 PolarHBondContact O-N 3.5Å; K39-S42 WeakPolarHBondContact O-CB 3.43Å; K39-S42 PolarHBondContact O-N 2.57Å; K39-S42 VanDerWaalsContact O-N 3.15Å; K39-E43 WeakPolarHBondContact CE-OE2 3.13Å; K39-E43 VanDerWaalsContact NZ-CD 3.32Å; K39-E43 IonicContact NZ-OE1 3.26Å; K39-E43 PolarHBondContact NZ-OE1 3.35Å; K39-E43 IonicContact NZ-OE2 3.42Å; K39-E43 PolarHBondContact NZ-OE2 2.86Å; K39-E43 WeakPolarHBondContact O-CB 3.4Å; K39-E43 PolarHBondContact O-N 2.9Å; K39-Y63 HydrophobicContact CB-CE1 4.28Å; K39-Y63 HydrophobicContact CB-CE2 4.07Å; K39-Y63 HydrophobicContact CG-CE1 4.16Å
40	N	94	Very high	95.5	Very high	38 Å²	38	38.1 Å²	38.1	20%	0.203	20%	0.2	C	C	.	.	H	α-helix	trans	-70.6	-35.8	-169.8	-65.5	-13.2	0	0	0	111.8	D36 A37 E43 I44 I173 N348	D36-N40 WeakPolarHBondContact O-CB 3.43Å; D36-N40 PolarHBondContact O-N 2.87Å; D36-N40 PolarHBondContact O-ND2 3.41Å; A37-N40 PolarHBondContact O-N 3.38Å; N40-E43 PolarHBondContact O-N 3.02Å; N40-I44 WeakPolarHBondContact O-CG1 3.44Å; N40-I44 PolarHBondContact O-N 3.42Å; N40-I173 HydrophobicContact CB-CG2 4.01Å; N40-N348 PolarHBondContact ND2-O 3.12Å
41	I	95.7	Very high	95.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-41.8	170.6	-64.4	162.7	0	0	0	110.5	A32 A37 K39 I44 L45 M78 W138 F170 I173 V178	A32-I41 HydrophobicContact CB-CD1 4.46Å; A37-I41 HydrophobicContact CB-CD1 4.42Å; A37-I41 WeakPolarHBondContact O-CB 3.18Å; A37-I41 WeakPolarHBondContact O-CD1 3.45Å; A37-I41 WeakPolarHBondContact O-CG1 3.43Å; A37-I41 PolarHBondContact O-N 3.18Å; K39-I41 PolarHBondContact O-N 3.5Å; I41-I44 PolarHBondContact O-N 2.99Å; I41-L45 HydrophobicContact CG2-CD1 3.83Å; I41-L45 HydrophobicContact CG2-CG 4.34Å; I41-L45 WeakPolarHBondContact O-CB 3.48Å; I41-L45 WeakPolarHBondContact O-CG 3.27Å; I41-L45 PolarHBondContact O-N 3.34Å; I41-M78 HydrophobicContact CB-CE 4.18Å; I41-M78 HydrophobicContact CG2-CE 3.53Å; I41-W138 HydrophobicContact CD1-CB 4.34Å; I41-W138 HydrophobicContact CD1-CD2 4.33Å; I41-W138 HydrophobicContact CD1-CE3 3.78Å; I41-W138 HydrophobicContact CD1-CZ3 4.44Å; I41-W138 HydrophobicContact CG1-CE3 4.43Å; I41-W138 HydrophobicContact CG2-CD2 4.19Å; I41-W138 HydrophobicContact CG2-CE3 3.96Å; I41-W138 HydrophobicContact CG2-CH2 4.1Å; I41-W138 HydrophobicContact CG2-CZ2 4.31Å; I41-W138 HydrophobicContact CG2-CZ3 3.92Å; I41-F170 HydrophobicContact CD1-CZ 4.36Å; I41-I173 HydrophobicContact CG1-CG2 4.2Å; I41-V178 HydrophobicContact CG1-CG2 4.42Å; I41-V178 HydrophobicContact CG2-CG1 3.92Å
42	S	97.2	Very high	95.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-43.3	174.8	-56.7	0	0	0	0	112.2	A38 K39 I44 L45 S46 Y63 M78	A38-S42 WeakPolarHBondContact O-CB 3.22Å; A38-S42 PolarHBondContact O-N 2.91Å; A38-S42 VanDerWaalsContact O-N 3.11Å; A38-S42 PolarHBondContact O-OG 3.42Å; K39-S42 WeakPolarHBondContact O-CB 3.43Å; K39-S42 PolarHBondContact O-N 2.57Å; K39-S42 VanDerWaalsContact O-N 3.15Å; S42-I44 VanDerWaalsContact C-N 3.29Å; S42-I44 PolarHBondContact O-N 3.25Å; S42-L45 PolarHBondContact O-N 3.49Å; S42-S46 VanDerWaalsContact O-CB 3.3Å; S42-S46 WeakPolarHBondContact O-CB 3.2Å; S42-S46 PolarHBondContact O-N 3.21Å; S42-S46 PolarHBondContact O-OG 3.48Å; S42-Y63 VanDerWaalsContact OG-CB 3.28Å; S42-Y63 WeakPolarHBondContact OG-CB 3.13Å; S42-M78 WeakPolarHBondContact OG-CB 3.36Å; S42-M78 VanDerWaalsContact OG-CG 3.28Å; S42-M78 WeakPolarHBondContact OG-CG 3.44Å
43	E	96.2	Very high	95.3	Very high	77 Å²	77	53.5 Å²	53.5	36%	0.36	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-40	179.3	-155.6	148.9	120.5	0	0	111.9	K39 N40 R47 G48 Y50	K39-E43 WeakPolarHBondContact CE-OE2 3.13Å; K39-E43 VanDerWaalsContact NZ-CD 3.32Å; K39-E43 IonicContact NZ-OE1 3.26Å; K39-E43 PolarHBondContact NZ-OE1 3.35Å; K39-E43 IonicContact NZ-OE2 3.42Å; K39-E43 PolarHBondContact NZ-OE2 2.86Å; K39-E43 WeakPolarHBondContact O-CB 3.4Å; K39-E43 PolarHBondContact O-N 2.9Å; N40-E43 PolarHBondContact O-N 3.02Å; E43-R47 CarbonylContact O-C 3.51Å; E43-R47 WeakPolarHBondContact O-CA 3.46Å; E43-R47 PolarHBondContact O-N 3.44Å; E43-G48 PolarHBondContact O-N 3.27Å; E43-Y50 HydrophobicContact CB-CD1 4.45Å; E43-Y50 HydrophobicContact CB-CE1 3.75Å; E43-Y50 HydrophobicContact CG-CE1 3.9Å; E43-Y50 WeakPolarHBondContact OE2-CE1 3.19Å; E43-Y50 PolarHBondContact OE2-OH 3.11Å
44	I	94.6	Very high	95.4	Very high	28 Å²	28	56.8 Å²	56.8	14%	0.144	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-59.5	172.1	-70.8	164.8	0	0	0	110.9	N40 I41 S42 S46 R47 I173 P175 V178	N40-I44 WeakPolarHBondContact O-CG1 3.44Å; N40-I44 PolarHBondContact O-N 3.42Å; I41-I44 PolarHBondContact O-N 2.99Å; S42-I44 VanDerWaalsContact C-N 3.29Å; S42-I44 PolarHBondContact O-N 3.25Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 2.92Å; I44-R47 PolarHBondContact O-N 3.09Å; I44-R47 VanDerWaalsContact O-N 3.08Å; I44-I173 HydrophobicContact CD1-CG2 3.92Å; I44-P175 HydrophobicContact CG1-CG 4.43Å; I44-P175 HydrophobicContact CG2-CB 4.27Å; I44-V178 HydrophobicContact CB-CG1 4.34Å; I44-V178 HydrophobicContact CD1-CB 4.45Å; I44-V178 HydrophobicContact CD1-CG2 4.05Å; I44-V178 HydrophobicContact CG2-CB 3.95Å; I44-V178 HydrophobicContact CG2-CG1 3.78Å
45	L	96	Very high	95.4	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-34.4	-170.2	-70.9	178.4	0	0	0	113.2	I41 S42 F65 M67 W138 V178 V182	I41-L45 HydrophobicContact CG2-CD1 3.83Å; I41-L45 HydrophobicContact CG2-CG 4.34Å; I41-L45 WeakPolarHBondContact O-CB 3.48Å; I41-L45 WeakPolarHBondContact O-CG 3.27Å; I41-L45 PolarHBondContact O-N 3.34Å; S42-L45 PolarHBondContact O-N 3.49Å; L45-F65 HydrophobicContact CB-CE2 3.55Å; L45-F65 HydrophobicContact CB-CZ 3.64Å; L45-F65 HydrophobicContact CD1-CE2 4.4Å; L45-F65 HydrophobicContact CD1-CZ 4.01Å; L45-F65 HydrophobicContact CG-CZ 4.49Å; L45-M67 HydrophobicContact CD2-CE 3.96Å; L45-M67 HydrophobicContact CD2-SD 4.36Å; L45-W138 HydrophobicContact CD1-CH2 4.29Å; L45-W138 HydrophobicContact CD1-CZ2 4.05Å; L45-V178 HydrophobicContact CD1-CG1 4.18Å; L45-V178 HydrophobicContact CD2-CG1 3.64Å; L45-V178 HydrophobicContact CG-CG1 3.65Å; L45-V182 HydrophobicContact CD1-CG2 4.07Å; L45-V182 HydrophobicContact CD2-CG2 3.79Å
46	S	95.6	Very high	95.4	Very high	19 Å²	19	57.1 Å²	57.1	13%	0.133	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.2	176.6	82.9	0	0	0	0	113.7	S42 I44 G48 G49 Y50	S42-S46 VanDerWaalsContact O-CB 3.3Å; S42-S46 WeakPolarHBondContact O-CB 3.2Å; S42-S46 PolarHBondContact O-N 3.21Å; S42-S46 PolarHBondContact O-OG 3.48Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 2.92Å; S46-G48 PolarHBondContact O-N 3.21Å; S46-G48 PolarHBondContact OG-N 2.83Å; S46-G49 WeakPolarHBondContact O-CA 3.21Å; S46-G49 PolarHBondContact O-N 2.8Å; S46-G49 PolarHBondContact OG-N 3.45Å; S46-Y50 WeakPolarHBondContact OG-CD1 3.48Å; S46-Y50 PolarHBondContact OG-N 3Å; S46-Y50 VanDerWaalsContact OG-N 3.15Å
47	R	93.6	Very high	95.6	Very high	219 Å²	219	53.1 Å²	53.1	83%	0.826	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	44.2	-169.4	-54.8	179.5	-178.4	177.2	-0	112.2	E43 I44 G49	E43-R47 CarbonylContact O-C 3.51Å; E43-R47 WeakPolarHBondContact O-CA 3.46Å; E43-R47 PolarHBondContact O-N 3.44Å; I44-R47 PolarHBondContact O-N 3.09Å; I44-R47 VanDerWaalsContact O-N 3.08Å; R47-G49 PolarHBondContact O-N 2.95Å
48	G	92.9	Very high	95.7	Very high	45 Å²	45	61.1 Å²	61.1	46%	0.464	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-12.2	-174	0	0	0	0	0	115.5	E43 S46 Y50	E43-G48 PolarHBondContact O-N 3.27Å; S46-G48 PolarHBondContact O-N 3.21Å; S46-G48 PolarHBondContact OG-N 2.83Å; G48-Y50 PolarHBondContact O-N 3.15Å
49	G	94.6	Very high	95.6	Very high	54 Å²	54	68.9 Å²	68.9	56%	0.557	33%	0.333	S	S	*	.			trans	-76.6	33.5	-177.4	0	0	0	0	0	117	S46 R47	S46-G49 WeakPolarHBondContact O-CA 3.21Å; S46-G49 PolarHBondContact O-N 2.8Å; S46-G49 PolarHBondContact OG-N 3.45Å; R47-G49 PolarHBondContact O-N 2.95Å
50	Y	96.2	Very high	95.7	Very high	55 Å²	55	66.2 Å²	66.2	22%	0.216	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-92	146.3	180	63.1	-105.3	0	0	0	112.9	E43 S46 G48 Y63	E43-Y50 HydrophobicContact CB-CD1 4.45Å; E43-Y50 HydrophobicContact CB-CE1 3.75Å; E43-Y50 HydrophobicContact CG-CE1 3.9Å; E43-Y50 WeakPolarHBondContact OE2-CE1 3.19Å; E43-Y50 PolarHBondContact OE2-OH 3.11Å; S46-Y50 WeakPolarHBondContact OG-CD1 3.48Å; S46-Y50 PolarHBondContact OG-N 3Å; S46-Y50 VanDerWaalsContact OG-N 3.15Å; G48-Y50 PolarHBondContact O-N 3.15Å; Y50-Y63 AromaticContact CD2-CD1 3.59Å; Y50-Y63 HydrophobicContact CD2-CD1 3.59Å; Y50-Y63 HydrophobicContact CD2-CE1 4.39Å; Y50-Y63 HydrophobicContact CD2-CG 4.46Å; Y50-Y63 AromaticContact CE2-CD1 3.5Å; Y50-Y63 HydrophobicContact CE2-CD1 3.5Å; Y50-Y63 AromaticContact CE2-CE1 3.84Å; Y50-Y63 HydrophobicContact CE2-CE1 3.84Å; Y50-Y63 HydrophobicContact CG-CD1 4.37Å
51	H	97.2	Very high	95.9	Very high	118 Å²	118	66 Å²	66	55%	0.546	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.3	168.9	179.2	65	0	0	0	110.2	E64	H51-E64 PolarHBondContact N-O 2.91Å; H51-E64 PolarHBondContact O-N 3.21Å
52	R	97.2	Very high	96	Very high	136 Å²	136	66 Å²	66	51%	0.513	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.5	175.8	175.7	-179.4	147.3	-156.5	-8.3	111.2	E54 K61 I62 Y63	R52-E54 IonicContact CZ-OE1 2.71Å; R52-E54 IonicContact NE-OE1 2.92Å; R52-E54 PolarHBondContact NE-OE1 2.05Å; R52-E54 IonicContact NH2-OE1 3.62Å; R52-E54 PolarHBondContact NH2-OE1 2.93Å; R52-K61 HydrophobicContact CG-CB 4.43Å; R52-I62 CarbonylContact C-O 3.55Å; R52-I62 VanDerWaalsContact CA-O 3.31Å; R52-I62 WeakPolarHBondContact CA-O 3.34Å; R52-Y63 HydrophobicContact CB-CD1 4.22Å; R52-Y63 HydrophobicContact CB-CE1 4.35Å; R52-Y63 HydrophobicContact CG-CD1 4.41Å; R52-Y63 HydrophobicContact CG-CE1 4.19Å
53	R	97.1	Very high	96.1	Very high	71 Å²	71	66.4 Å²	66.4	27%	0.268	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	167.9	164.1	-62.7	-160	-70.1	114.7	-0.6	111.1	I62 E64 E128	R53-I62 HydrophobicContact CB-CB 4.19Å; R53-I62 PolarHBondContact N-O 2.92Å; R53-I62 PolarHBondContact O-N 2.8Å; R53-I62 VanDerWaalsContact O-O 3.12Å; R53-E64 IonicContact CZ-OE1 2.83Å; R53-E64 IonicContact CZ-OE2 2.73Å; R53-E64 VanDerWaalsContact NE-CD 3.27Å; R53-E64 IonicContact NE-OE1 3.57Å; R53-E64 IonicContact NE-OE2 3.73Å; R53-E64 PolarHBondContact NE-OE2 3.39Å; R53-E64 VanDerWaalsContact NH2-CD 3.26Å; R53-E64 IonicContact NH2-OE1 2.77Å; R53-E64 PolarHBondContact NH2-OE1 2.82Å; R53-E64 IonicContact NH2-OE2 2.62Å; R53-E64 PolarHBondContact NH2-OE2 3.26Å; R53-E128 IonicContact CZ-OE2 2.76Å; R53-E128 IonicContact NH1-OE1 3.68Å; R53-E128 IonicContact NH1-OE2 2.97Å; R53-E128 IonicContact NH2-OE1 2.67Å; R53-E128 IonicContact NH2-OE2 2.6Å; R53-E128 PolarHBondContact NH2-OE2 3.17Å
54	E	96.5	Very high	96.2	Very high	86 Å²	86	64 Å²	64	40%	0.402	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.6	176.6	-68.1	-65.9	142.9	0	0	112.2	R52 K61 R127	R52-E54 IonicContact CZ-OE1 2.71Å; R52-E54 IonicContact NE-OE1 2.92Å; R52-E54 PolarHBondContact NE-OE1 2.05Å; R52-E54 IonicContact NH2-OE1 3.62Å; R52-E54 PolarHBondContact NH2-OE1 2.93Å; E54-K61 VanDerWaalsContact CD-NZ 3.25Å; E54-K61 WeakPolarHBondContact OE1-CD 3.35Å; E54-K61 IonicContact OE1-NZ 3.6Å; E54-K61 PolarHBondContact OE1-NZ 2.96Å; E54-K61 VanDerWaalsContact OE1-NZ 3.08Å; E54-K61 WeakPolarHBondContact OE2-CD 3.25Å; E54-K61 IonicContact OE2-NZ 2.73Å; E54-K61 PolarHBondContact OE2-NZ 2.76Å; E54-R127 PolarHBondContact O-NH2 3.22Å; E54-R127 VanDerWaalsContact O-NH2 3.08Å
55	G	94.9	Very high	96.3	Very high	13 Å²	13	62.7 Å²	62.7	13%	0.134	30%	0.302	C	S	.	.			trans	-75.4	-174.3	164.6	0	0	0	0	0	111.7
56	I	96.7	Very high	96.3	Very high	76 Å²	76	65.7 Å²	65.7	39%	0.39	32%	0.322	S	S	.	.	S	Bend	trans	-83	-33.2	167.8	-52.4	173.1	0	0	0	109.4	P120 Q123 T124	I56-P120 HydrophobicContact CB-CB 4.44Å; I56-P120 HydrophobicContact CG2-CB 4.16Å; I56-Q123 HydrophobicContact CD1-CB 3.69Å; I56-T124 WeakPolarHBondContact CB-OG1 3.4Å; I56-T124 PolarHBondContact N-OG1 3.22Å
57	S	95.6	Very high	96.2	Very high	11 Å²	11	66.2 Å²	66.2	8%	0.077	32%	0.323	C	S	.	.	S	Bend	trans	-69.3	132.5	161.4	173.1	0	0	0	0	110.6	F59 N60	S57-F59 PolarHBondContact O-N 3.44Å; S57-F59 PolarHBondContact OG-N 2.82Å; S57-N60 VanDerWaalsContact CB-OD1 3.25Å; S57-N60 WeakPolarHBondContact CB-OD1 3.39Å; S57-N60 PolarHBondContact OG-OD1 2.98Å
58	K	94.9	Very high	96	Very high	169 Å²	169	59.8 Å²	59.8	74%	0.735	31%	0.305	S	S	*	.	S	Bend	trans	-68.2	-17.3	175.4	-66.1	-176.9	180	179.2	0	113.6	K61	K58-K61 VanDerWaalsContact O-CE 3.3Å; K58-K61 WeakPolarHBondContact O-CE 3.42Å; K58-K61 PolarHBondContact O-NZ 3Å
59	F	95.3	Very high	95.8	Very high	162 Å²	162	58.6 Å²	58.6	71%	0.711	29%	0.288	S	S	*	.	S	Bend	trans	-100.5	-21.9	-174.9	-55.6	-71.7	0	0	0	113.2	N35 S57	N35-F59 WeakPolarHBondContact CB-O 3.27Å; N35-F59 VanDerWaalsContact CG-O 3.28Å; N35-F59 PolarHBondContact OD1-O 3.48Å; S57-F59 PolarHBondContact O-N 3.44Å; S57-F59 PolarHBondContact OG-N 2.82Å
60	N	97.8	Very high	95.3	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.016	30%	0.298	C	S	.	.			trans	-106.8	100.8	-176.5	-52.3	88.3	0	0	0	108.9	S57 S80 V81 S82 I121	S57-N60 VanDerWaalsContact CB-OD1 3.25Å; S57-N60 WeakPolarHBondContact CB-OD1 3.39Å; S57-N60 PolarHBondContact OG-OD1 2.98Å; N60-S80 PolarHBondContact ND2-O 2.84Å; N60-S80 PolarHBondContact ND2-OG 2.7Å; N60-V81 VanDerWaalsContact ND2-C 3.33Å; N60-V81 PolarHBondContact ND2-O 3.24Å; N60-S82 PolarHBondContact ND2-OG 3.44Å; N60-S82 PolarHBondContact OD1-OG 2.98Å; N60-I121 WeakPolarHBondContact OD1-CD1 3.39Å; N60-I121 WeakPolarHBondContact OD1-CG1 3.43Å
61	K	98	Very high	94.7	Very high	33 Å²	33	63.2 Å²	63.2	14%	0.143	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	161.5	-178.4	-51.2	-55.4	175.1	179.9	0	110.6	N35 R52 E54 K58 Y63 T79	N35-K61 WeakPolarHBondContact OD1-CB 3.4Å; N35-K61 WeakPolarHBondContact OD1-CG 3.47Å; N35-K61 PolarHBondContact OD1-N 3.35Å; R52-K61 HydrophobicContact CG-CB 4.43Å; E54-K61 VanDerWaalsContact CD-NZ 3.25Å; E54-K61 WeakPolarHBondContact OE1-CD 3.35Å; E54-K61 IonicContact OE1-NZ 3.6Å; E54-K61 PolarHBondContact OE1-NZ 2.96Å; E54-K61 VanDerWaalsContact OE1-NZ 3.08Å; E54-K61 WeakPolarHBondContact OE2-CD 3.25Å; E54-K61 IonicContact OE2-NZ 2.73Å; E54-K61 PolarHBondContact OE2-NZ 2.76Å; K58-K61 VanDerWaalsContact O-CE 3.3Å; K58-K61 WeakPolarHBondContact O-CE 3.42Å; K58-K61 PolarHBondContact O-NZ 3Å; K61-Y63 HydrophobicContact CB-CE1 4.31Å; K61-Y63 HydrophobicContact CB-CE2 3.76Å; K61-T79 WeakPolarHBondContact O-CA 3.28Å; K61-T79 PolarHBondContact O-OG1 3.23Å
62	I	98.5	Very high	94.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.2	172.4	-57.4	171.6	0	0	0	107.8	R52 R53 E64 V77 M78 T124 R127 E128	R52-I62 CarbonylContact C-O 3.55Å; R52-I62 VanDerWaalsContact CA-O 3.31Å; R52-I62 WeakPolarHBondContact CA-O 3.34Å; R53-I62 HydrophobicContact CB-CB 4.19Å; R53-I62 PolarHBondContact N-O 2.92Å; R53-I62 PolarHBondContact O-N 2.8Å; R53-I62 VanDerWaalsContact O-O 3.12Å; I62-E64 HydrophobicContact CG2-CG 4.07Å; I62-V77 HydrophobicContact CG2-CG1 3.67Å; I62-M78 CarbonylContact C-O 3.41Å; I62-M78 VanDerWaalsContact CA-O 3.29Å; I62-M78 WeakPolarHBondContact CA-O 3.49Å; I62-T124 HydrophobicContact CD1-CG2 4.05Å; I62-T124 HydrophobicContact CG1-CG2 4.49Å; I62-R127 VanDerWaalsContact CD1-NH2 3.27Å; I62-E128 HydrophobicContact CD1-CG 3.84Å; I62-E128 VanDerWaalsContact CD1-OE1 3.31Å; I62-E128 WeakPolarHBondContact CD1-OE1 3.31Å
63	Y	98.3	Very high	94.1	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	107.9	-179.3	-55.7	-81.7	0	0	0	107.8	N35 A38 K39 S42 Y50 R52 K61 M78	N35-Y63 PolarHBondContact ND2-OH 2.96Å; N35-Y63 VanDerWaalsContact ND2-OH 3.13Å; A38-Y63 HydrophobicContact CB-CD2 4.36Å; A38-Y63 HydrophobicContact CB-CE2 4.26Å; K39-Y63 HydrophobicContact CB-CE1 4.28Å; K39-Y63 HydrophobicContact CB-CE2 4.07Å; K39-Y63 HydrophobicContact CG-CE1 4.16Å; S42-Y63 VanDerWaalsContact OG-CB 3.28Å; S42-Y63 WeakPolarHBondContact OG-CB 3.13Å; Y50-Y63 AromaticContact CD2-CD1 3.59Å; Y50-Y63 HydrophobicContact CD2-CD1 3.59Å; Y50-Y63 HydrophobicContact CD2-CE1 4.39Å; Y50-Y63 HydrophobicContact CD2-CG 4.46Å; Y50-Y63 AromaticContact CE2-CD1 3.5Å; Y50-Y63 HydrophobicContact CE2-CD1 3.5Å; Y50-Y63 AromaticContact CE2-CE1 3.84Å; Y50-Y63 HydrophobicContact CE2-CE1 3.84Å; Y50-Y63 HydrophobicContact CG-CD1 4.37Å; R52-Y63 HydrophobicContact CB-CD1 4.22Å; R52-Y63 HydrophobicContact CB-CE1 4.35Å; R52-Y63 HydrophobicContact CG-CD1 4.41Å; R52-Y63 HydrophobicContact CG-CE1 4.19Å; K61-Y63 HydrophobicContact CB-CE1 4.31Å; K61-Y63 HydrophobicContact CB-CE2 3.76Å; Y63-M78 PolarHBondContact N-O 2.82Å; Y63-M78 PolarHBondContact O-N 2.86Å
64	E	97.9	Very high	94	Very high	25 Å²	25	56.1 Å²	56.1	12%	0.117	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.2	-178.5	-69.2	-170.5	137.2	0	0	111.2	K27 H51 R53 I62 M75 M76 V77	K27-E64 IonicContact NZ-OE1 2.68Å; K27-E64 PolarHBondContact NZ-OE1 2.97Å; H51-E64 PolarHBondContact N-O 2.91Å; H51-E64 PolarHBondContact O-N 3.21Å; R53-E64 IonicContact CZ-OE1 2.83Å; R53-E64 IonicContact CZ-OE2 2.73Å; R53-E64 VanDerWaalsContact NE-CD 3.27Å; R53-E64 IonicContact NE-OE1 3.57Å; R53-E64 IonicContact NE-OE2 3.73Å; R53-E64 PolarHBondContact NE-OE2 3.39Å; R53-E64 VanDerWaalsContact NH2-CD 3.26Å; R53-E64 IonicContact NH2-OE1 2.77Å; R53-E64 PolarHBondContact NH2-OE1 2.82Å; R53-E64 IonicContact NH2-OE2 2.62Å; R53-E64 PolarHBondContact NH2-OE2 3.26Å; I62-E64 HydrophobicContact CG2-CG 4.07Å; E64-M75 HydrophobicContact CB-SD 4.15Å; E64-M76 VanDerWaalsContact CA-O 3.29Å; E64-M76 WeakPolarHBondContact CA-O 3.33Å; E64-V77 HydrophobicContact CG-CB 4.45Å; E64-V77 HydrophobicContact CG-CG1 4.16Å; E64-V77 HydrophobicContact CG-CG2 4.19Å
65	F	97.2	Very high	94	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.1	176.5	56.5	-86.4	0	0	0	112.4	L45 M67 M75 M76 M78	L45-F65 HydrophobicContact CB-CE2 3.55Å; L45-F65 HydrophobicContact CB-CZ 3.64Å; L45-F65 HydrophobicContact CD1-CE2 4.4Å; L45-F65 HydrophobicContact CD1-CZ 4.01Å; L45-F65 HydrophobicContact CG-CZ 4.49Å; F65-M67 HydrophobicContact CD2-CB 4.44Å; F65-M67 HydrophobicContact CE2-CB 4.41Å; F65-M67 HydrophobicContact CE2-SD 4.33Å; F65-M75 VanDerWaalsContact C-SD 3.53Å; F65-M76 HydrophobicContact CD1-CB 4.2Å; F65-M76 HydrophobicContact CD2-CB 3.89Å; F65-M76 HydrophobicContact CD2-CG 4.11Å; F65-M76 HydrophobicContact CE1-CB 3.88Å; F65-M76 HydrophobicContact CE2-CB 3.54Å; F65-M76 HydrophobicContact CE2-CG 3.6Å; F65-M76 HydrophobicContact CG-CB 4.2Å; F65-M76 HydrophobicContact CZ-CB 3.54Å; F65-M76 HydrophobicContact CZ-CG 3.97Å; F65-M76 PolarHBondContact N-O 2.72Å; F65-M76 PolarHBondContact O-N 3.28Å; F65-M78 HydrophobicContact CE1-CB 4.29Å
66	P	96.1	Very high	94.1	Very high	74 Å²	74	52.9 Å²	52.9	48%	0.481	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	140.4	171.2	32.4	-34.6	0	0	0	110.5	F24 V74	F24-P66 HydrophobicContact CE1-CB 3.57Å; F24-P66 HydrophobicContact CZ-CB 3.65Å; P66-V74 WeakPolarHBondContact CA-O 3.23Å
67	M	93.1	Very high	94.2	Very high	31 Å²	31	49.2 Å²	49.2	15%	0.153	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.4	173.8	-167.5	171.8	-177.8	0	0	109.9	L45 F65 V74 M76 V182	L45-M67 HydrophobicContact CD2-CE 3.96Å; L45-M67 HydrophobicContact CD2-SD 4.36Å; F65-M67 HydrophobicContact CD2-CB 4.44Å; F65-M67 HydrophobicContact CE2-CB 4.41Å; F65-M67 HydrophobicContact CE2-SD 4.33Å; M67-V74 HydrophobicContact CB-CG2 4.27Å; M67-V74 PolarHBondContact N-O 3.29Å; M67-V74 WeakPolarHBondContact O-CG2 3.28Å; M67-V74 PolarHBondContact O-N 2.99Å; M67-M76 HydrophobicContact CB-CG 3.8Å; M67-M76 HydrophobicContact SD-CE 4.28Å; M67-M76 HydrophobicContact SD-CG 4.37Å; M67-V182 HydrophobicContact CE-CG1 3.88Å; M67-V182 HydrophobicContact CE-CG2 4.46Å
68	N	90.5	Very high	94.3	Very high	84 Å²	84	48.7 Å²	48.7	45%	0.449	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.8	163.7	-167.6	-72.9	0	0	0	108.2	G71 Q72 N73	N68-G71 PolarHBondContact ND2-O 3.47Å; N68-G71 VanDerWaalsContact OD1-C 3.3Å; N68-G71 WeakPolarHBondContact OD1-CA 3.44Å; N68-G71 PolarHBondContact OD1-N 3.01Å; N68-Q72 WeakPolarHBondContact CA-O 3.44Å; N68-N73 PolarHBondContact ND2-OD1 2.87Å
69	L	88.1	Confident	94.5	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.105	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.1	180	-178.3	63.7	0	0	0	108.1	I28 G71 Q72 V74 V182	I28-L69 HydrophobicContact CD1-CD2 3.61Å; L69-G71 PolarHBondContact O-N 3.19Å; L69-Q72 PolarHBondContact N-O 2.86Å; L69-Q72 WeakPolarHBondContact O-CB 3.44Å; L69-Q72 PolarHBondContact O-N 3.38Å; L69-V74 HydrophobicContact CB-CG1 4.48Å; L69-V74 HydrophobicContact CB-CG2 3.94Å; L69-V182 HydrophobicContact CD1-CG1 3.34Å
70	N	84.4	Confident	94.7	Very high	144 Å²	144	33 Å²	33	77%	0.77	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	41.9	-178.5	-61.3	-7.9	0	0	0	113.7	Q72	N70-Q72 VanDerWaalsContact C-N 3.31Å; N70-Q72 PolarHBondContact O-N 3Å
71	G	84.3	Confident	94.7	Very high	61 Å²	61	32.9 Å²	32.9	63%	0.629	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.9	-21.9	-177.6	0	0	0	0	0	114.3	N68 L69	N68-G71 PolarHBondContact ND2-O 3.47Å; N68-G71 VanDerWaalsContact OD1-C 3.3Å; N68-G71 WeakPolarHBondContact OD1-CA 3.44Å; N68-G71 PolarHBondContact OD1-N 3.01Å; L69-G71 PolarHBondContact O-N 3.19Å
72	Q	88.6	Confident	94.6	Very high	76 Å²	76	33.2 Å²	33.2	36%	0.355	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.5	-178.4	-170.6	175.1	2.1	0	0	111.8	N68 L69 N70 V74	N68-Q72 WeakPolarHBondContact CA-O 3.44Å; L69-Q72 PolarHBondContact N-O 2.86Å; L69-Q72 WeakPolarHBondContact O-CB 3.44Å; L69-Q72 PolarHBondContact O-N 3.38Å; N70-Q72 VanDerWaalsContact C-N 3.31Å; N70-Q72 PolarHBondContact O-N 3Å; Q72-V74 HydrophobicContact CB-CG1 4.35Å; Q72-V74 HydrophobicContact CG-CG1 3.96Å; Q72-V74 PolarHBondContact O-N 3.16Å
73	N	92.4	Very high	94.3	Very high	99 Å²	99	33.8 Å²	33.8	53%	0.529	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.3	171.5	-67.1	-43.1	0	0	0	110.1	N68	N68-N73 PolarHBondContact ND2-OD1 2.87Å
74	V	95	Very high	94.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	155.2	-178.4	-59.1	0	0	0	0	111	M26 I28 P66 M67 L69 Q72 M76	M26-V74 HydrophobicContact CB-CG1 4.21Å; M26-V74 HydrophobicContact CG-CG1 4.27Å; M26-V74 WeakPolarHBondContact O-CA 3.18Å; M26-V74 HydrophobicContact SD-CG1 4.22Å; I28-V74 HydrophobicContact CD1-CB 4.2Å; I28-V74 HydrophobicContact CD1-CG1 4.05Å; I28-V74 HydrophobicContact CD1-CG2 4.17Å; I28-V74 HydrophobicContact CG1-CB 4.43Å; P66-V74 WeakPolarHBondContact CA-O 3.23Å; M67-V74 HydrophobicContact CB-CG2 4.27Å; M67-V74 PolarHBondContact N-O 3.29Å; M67-V74 WeakPolarHBondContact O-CG2 3.28Å; M67-V74 PolarHBondContact O-N 2.99Å; L69-V74 HydrophobicContact CB-CG1 4.48Å; L69-V74 HydrophobicContact CB-CG2 3.94Å; Q72-V74 HydrophobicContact CB-CG1 4.35Å; Q72-V74 HydrophobicContact CG-CG1 3.96Å; Q72-V74 PolarHBondContact O-N 3.16Å; V74-M76 HydrophobicContact CG2-CG 4.31Å; V74-M76 HydrophobicContact CG2-SD 4.02Å
75	M	96.9	Very high	94	Very high	31 Å²	31	34.2 Å²	34.2	15%	0.153	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112	165.9	177.9	64.3	65.7	0	0	108.8	F24 M26 K27 I28 E64 F65 V77	F24-M75 HydrophobicContact CB-CB 4.1Å; F24-M75 HydrophobicContact CD2-CE 3.66Å; F24-M75 HydrophobicContact CE2-CE 3.62Å; F24-M75 HydrophobicContact CG-CB 4.21Å; F24-M75 HydrophobicContact CG-CE 4.21Å; F24-M75 HydrophobicContact CZ-CE 4.13Å; M26-M75 PolarHBondContact O-N 3.39Å; K27-M75 WeakPolarHBondContact CA-O 3.24Å; K27-M75 HydrophobicContact CG-CB 4.08Å; K27-M75 HydrophobicContact CG-CG 4.32Å; I28-M75 PolarHBondContact N-O 3.34Å; E64-M75 HydrophobicContact CB-SD 4.15Å; F65-M75 VanDerWaalsContact C-SD 3.53Å; M75-V77 HydrophobicContact CG-CG2 4.42Å
76	M	97.3	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.1	174.5	-61.4	-67.2	-92.8	0	0	108.5	I28 N30 E64 F65 M67 V74 I136	I28-M76 HydrophobicContact CB-SD 4.03Å; I28-M76 HydrophobicContact CD1-SD 4.38Å; I28-M76 HydrophobicContact CG2-SD 4.31Å; N30-M76 WeakPolarHBondContact ND2-CE 3.19Å; N30-M76 WeakPolarHBondContact OD1-CE 3.32Å; E64-M76 VanDerWaalsContact CA-O 3.29Å; E64-M76 WeakPolarHBondContact CA-O 3.33Å; F65-M76 HydrophobicContact CD1-CB 4.2Å; F65-M76 HydrophobicContact CD2-CB 3.89Å; F65-M76 HydrophobicContact CD2-CG 4.11Å; F65-M76 HydrophobicContact CE1-CB 3.88Å; F65-M76 HydrophobicContact CE2-CB 3.54Å; F65-M76 HydrophobicContact CE2-CG 3.6Å; F65-M76 HydrophobicContact CG-CB 4.2Å; F65-M76 HydrophobicContact CZ-CB 3.54Å; F65-M76 HydrophobicContact CZ-CG 3.97Å; F65-M76 PolarHBondContact N-O 2.72Å; F65-M76 PolarHBondContact O-N 3.28Å; M67-M76 HydrophobicContact CB-CG 3.8Å; M67-M76 HydrophobicContact SD-CE 4.28Å; M67-M76 HydrophobicContact SD-CG 4.37Å; V74-M76 HydrophobicContact CG2-CG 4.31Å; V74-M76 HydrophobicContact CG2-SD 4.02Å; M76-I136 HydrophobicContact CE-CD1 4.32Å
77	V	98.2	Very high	93.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	87.1	175.7	-174.7	0	0	0	0	107	K27 I28 L29 N30 I62 E64 M75 E128	K27-V77 HydrophobicContact CB-CG2 4.47Å; K27-V77 HydrophobicContact CD-CG2 4.09Å; K27-V77 HydrophobicContact CG-CG2 4.38Å; I28-V77 PolarHBondContact O-N 2.66Å; L29-V77 HydrophobicContact CD1-CG1 4.44Å; N30-V77 PolarHBondContact N-O 3.47Å; I62-V77 HydrophobicContact CG2-CG1 3.67Å; E64-V77 HydrophobicContact CG-CB 4.45Å; E64-V77 HydrophobicContact CG-CG1 4.16Å; E64-V77 HydrophobicContact CG-CG2 4.19Å; M75-V77 HydrophobicContact CG-CG2 4.42Å; V77-E128 HydrophobicContact CG1-CB 4.43Å; V77-E128 HydrophobicContact CG1-CG 4.42Å
78	M	98.4	Very high	93.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135	-179.1	179.8	69.2	77.5	0	0	111	N30 A38 I41 S42 I62 Y63 F65 W138	N30-M78 HydrophobicContact CB-CB 4.18Å; N30-M78 HydrophobicContact CB-CE 3.54Å; N30-M78 HydrophobicContact CB-CG 4.45Å; N30-M78 HydrophobicContact CB-SD 3.47Å; N30-M78 WeakPolarHBondContact CB-SD 3.32Å; N30-M78 CarbonylContact O-C 3.54Å; N30-M78 WeakPolarHBondContact O-CA 3.29Å; A38-M78 HydrophobicContact CB-CG 3.91Å; A38-M78 HydrophobicContact CB-SD 4.32Å; A38-M78 WeakPolarHBondContact O-CG 3.45Å; I41-M78 HydrophobicContact CB-CE 4.18Å; I41-M78 HydrophobicContact CG2-CE 3.53Å; S42-M78 WeakPolarHBondContact OG-CB 3.36Å; S42-M78 VanDerWaalsContact OG-CG 3.28Å; S42-M78 WeakPolarHBondContact OG-CG 3.44Å; I62-M78 CarbonylContact C-O 3.41Å; I62-M78 VanDerWaalsContact CA-O 3.29Å; I62-M78 WeakPolarHBondContact CA-O 3.49Å; Y63-M78 PolarHBondContact N-O 2.82Å; Y63-M78 PolarHBondContact O-N 2.86Å; F65-M78 HydrophobicContact CE1-CB 4.29Å; M78-W138 HydrophobicContact CE-CD2 4.2Å; M78-W138 HydrophobicContact CE-CG 3.97Å
79	T	98.6	Very high	93.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	-174.5	175.2	-170.8	0	0	0	0	109.3	L29 N30 V31 A32 A38 K61 L125	L29-T79 HydrophobicContact CD1-CG2 3.95Å; N30-T79 PolarHBondContact O-N 3.37Å; V31-T79 WeakPolarHBondContact CA-O 3.29Å; V31-T79 HydrophobicContact CG2-CG2 4.01Å; A32-T79 PolarHBondContact N-O 2.89Å; A38-T79 WeakPolarHBondContact CB-O 3.39Å; K61-T79 WeakPolarHBondContact O-CA 3.28Å; K61-T79 PolarHBondContact O-OG1 3.23Å; T79-L125 HydrophobicContact CG2-CD2 4.03Å
80	S	98.4	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.9	177.4	65.4	0	0	0	0	114.3	A32 K34 N35 N60	A32-S80 CarbonylContact O-C 3.54Å; A32-S80 WeakPolarHBondContact O-CA 3.49Å; A32-S80 WeakPolarHBondContact O-CB 3.13Å; K34-S80 VanDerWaalsContact C-CB 3.42Å; K34-S80 WeakPolarHBondContact O-CB 3.19Å; N35-S80 VanDerWaalsContact CA-OG 3.24Å; N35-S80 WeakPolarHBondContact CA-OG 3.26Å; N35-S80 PolarHBondContact N-OG 2.85Å; N60-S80 PolarHBondContact ND2-O 2.84Å; N60-S80 PolarHBondContact ND2-OG 2.7Å
81	V	98.1	Very high	94.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.			trans	-93.2	-163	154.2	-57.8	0	0	0	0	110.2	V31 A32 E33 N60 G83 L85 I121 L125 I148 V152	V31-V81 HydrophobicContact CG1-CG1 3.95Å; A32-V81 PolarHBondContact O-N 2.96Å; E33-V81 CarbonylContact C-O 3.59Å; E33-V81 CarbonylContact O-C 3.56Å; E33-V81 WeakPolarHBondContact O-CG2 3.38Å; N60-V81 VanDerWaalsContact ND2-C 3.33Å; N60-V81 PolarHBondContact ND2-O 3.24Å; V81-G83 VanDerWaalsContact CG2-O 3.28Å; V81-G83 WeakPolarHBondContact CG2-O 3.41Å; V81-L85 HydrophobicContact CB-CD2 3.98Å; V81-L85 HydrophobicContact CB-CG 4.2Å; V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CD2 3.69Å; V81-L85 HydrophobicContact CG1-CG 3.75Å; V81-I121 HydrophobicContact CB-CG2 4.44Å; V81-I121 HydrophobicContact CG1-CG2 4.11Å; V81-L125 HydrophobicContact CG1-CD1 4.15Å; V81-I148 HydrophobicContact CG2-CG2 3.62Å; V81-V152 HydrophobicContact CG1-CG2 3.52Å
82	S	95.7	Very high	94.8	Very high	41 Å²	41	30.9 Å²	30.9	29%	0.287	17%	0.17	S	C	.	.			trans	-135.8	46.1	-177.4	-61.4	0	0	0	0	110.6	E33 N60 I121	E33-S82 WeakPolarHBondContact O-CA 3.46Å; E33-S82 PolarHBondContact O-N 3.48Å; N60-S82 PolarHBondContact ND2-OG 3.44Å; N60-S82 PolarHBondContact OD1-OG 2.98Å; S82-I121 WeakPolarHBondContact OG-CD1 3.27Å
83	G	93.4	Very high	94.8	Very high	12 Å²	12	33.1 Å²	33.1	12%	0.124	18%	0.184	C	C	.	.	S	Bend	trans	81	-157.8	-156.5	0	0	0	0	0	111.7	E33 V81 L85	E33-G83 PolarHBondContact O-N 3.48Å; V81-G83 VanDerWaalsContact CG2-O 3.28Å; V81-G83 WeakPolarHBondContact CG2-O 3.41Å; G83-L85 PolarHBondContact O-N 2.82Å
84	H	94.5	Very high	94.8	Very high	42 Å²	42	31.5 Å²	31.5	19%	0.194	17%	0.171	C	C	.	.			trans	-50.7	126.7	178.1	-78.3	-85.9	0	0	0	112.8	Y118 E144 N147 I148 E151 Q200	H84-Y118 VanDerWaalsContact O-CD2 3.22Å; H84-Y118 WeakPolarHBondContact O-CD2 3.37Å; H84-Y118 WeakPolarHBondContact O-CE2 3.02Å; H84-E144 IonicContact NE2-OE2 3.77Å; H84-E144 PolarHBondContact NE2-OE2 3.49Å; H84-N147 PolarHBondContact CE1-OD1 3Å; H84-N147 VanDerWaalsContact CE1-OD1 3.29Å; H84-I148 HydrophobicContact CB-CG1 4.44Å; H84-E151 WeakPolarHBondContact CA-OE2 3.27Å; H84-E151 IonicContact CE1-OE1 2.68Å; H84-E151 IonicContact CG-OE1 3.06Å; H84-E151 IonicContact ND1-OE1 3.89Å; H84-E151 PolarHBondContact ND1-OE1 2.88Å; H84-E151 IonicContact ND1-OE2 2.67Å; H84-Q200 PolarHBondContact CE1-NE2 3.34Å
85	L	95.2	Very high	94.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-73.8	-35.1	168.7	-69.8	176.7	0	0	0	111.2	V81 G83 V114 L115 I121 L125 E151 V152 V155	V81-L85 HydrophobicContact CB-CD2 3.98Å; V81-L85 HydrophobicContact CB-CG 4.2Å; V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CD2 3.69Å; V81-L85 HydrophobicContact CG1-CG 3.75Å; G83-L85 PolarHBondContact O-N 2.82Å; L85-V114 WeakPolarHBondContact O-CA 3.31Å; L85-L115 PolarHBondContact O-N 2.93Å; L85-I121 HydrophobicContact CD2-CB 3.94Å; L85-I121 HydrophobicContact CD2-CD1 4.45Å; L85-I121 HydrophobicContact CD2-CG2 3.75Å; L85-L125 HydrophobicContact CD1-CD1 3.72Å; L85-E151 WeakPolarHBondContact CA-OE2 3.4Å; L85-E151 HydrophobicContact CB-CB 4.5Å; L85-E151 PolarHBondContact N-OE2 2.84Å; L85-V152 HydrophobicContact CD1-CG2 3.95Å; L85-V155 HydrophobicContact CD1-CG2 4.36Å
86	T	94.7	Very high	94.1	Very high	17 Å²	17	34.7 Å²	34.7	10%	0.104	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	162.5	-171.1	77.9	0	0	0	0	113.2	K112 Q113 V114 E151	T86-K112 VanDerWaalsContact OG1-CD 3.24Å; T86-K112 WeakPolarHBondContact OG1-CD 3.34Å; T86-K112 WeakPolarHBondContact OG1-CE 3.32Å; T86-K112 WeakPolarHBondContact OG1-CG 3.22Å; T86-Q113 CarbonylContact C-O 3.59Å; T86-Q113 VanDerWaalsContact CA-O 3.23Å; T86-Q113 WeakPolarHBondContact CA-O 3.34Å; T86-Q113 WeakPolarHBondContact CB-O 3.29Å; T86-V114 HydrophobicContact CG2-CG2 3.76Å; T86-E151 HydrophobicContact CG2-CB 4.42Å; T86-E151 HydrophobicContact CG2-CG 4.22Å; T86-E151 PolarHBondContact N-OE2 2.96Å; T86-E151 PolarHBondContact OG1-OE1 3.22Å
87	N	92.8	Very high	93.8	Very high	79 Å²	79	38.6 Å²	38.6	42%	0.422	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.6	169.6	-171.8	17.4	0	0	0	109.8	K112 Q113 L115	N87-K112 WeakPolarHBondContact O-CA 3.45Å; N87-Q113 PolarHBondContact N-O 2.92Å; N87-Q113 PolarHBondContact O-N 2.9Å; N87-L115 HydrophobicContact CB-CD2 3.78Å; N87-L115 HydrophobicContact CB-CG 4.26Å
88	Y	93.2	Very high	93.4	Very high	39 Å²	39	43.4 Å²	43.4	15%	0.153	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.4	170	-74.7	-82.5	0	0	0	111.1	I110 V111 K112 D197 Q200	Y88-I110 HydrophobicContact CD1-CD1 3.55Å; Y88-I110 HydrophobicContact CD1-CG1 4.08Å; Y88-I110 HydrophobicContact CE1-CD1 4.01Å; Y88-I110 HydrophobicContact CG-CD1 4.3Å; Y88-V111 WeakPolarHBondContact CA-O 3.5Å; Y88-K112 HydrophobicContact CD1-CB 3.95Å; Y88-K112 HydrophobicContact CD1-CG 4.05Å; Y88-K112 HydrophobicContact CD2-CD 4.2Å; Y88-K112 HydrophobicContact CD2-CG 3.84Å; Y88-K112 HydrophobicContact CE1-CB 3.73Å; Y88-K112 HydrophobicContact CE1-CD 4.33Å; Y88-K112 HydrophobicContact CE1-CG 3.92Å; Y88-K112 HydrophobicContact CE2-CB 4.42Å; Y88-K112 HydrophobicContact CE2-CD 3.59Å; Y88-K112 VanDerWaalsContact CE2-CE 3.49Å; Y88-K112 HydrophobicContact CE2-CG 3.69Å; Y88-K112 HydrophobicContact CG-CB 4.41Å; Y88-K112 HydrophobicContact CG-CG 4.02Å; Y88-D197 HydrophobicContact CE2-CB 4.31Å; Y88-D197 PolarHBondContact OH-OD1 3.14Å; Y88-Q200 HydrophobicContact CD2-CB 3.84Å; Y88-Q200 HydrophobicContact CE2-CB 4.22Å
89	D	92.9	Very high	92.9	Very high	47 Å²	47	46.1 Å²	46.1	25%	0.251	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.1	170.9	-164.5	-8.4	0	0	0	109.1	K95 I110 V111	D89-K95 VanDerWaalsContact CG-NZ 3.3Å; D89-K95 VanDerWaalsContact OD2-CD 3.32Å; D89-K95 WeakPolarHBondContact OD2-CD 3.32Å; D89-K95 WeakPolarHBondContact OD2-CE 3.43Å; D89-K95 IonicContact OD2-NZ 2.94Å; D89-K95 PolarHBondContact OD2-NZ 2.9Å; D89-I110 CarbonylContact O-C 3.51Å; D89-I110 VanDerWaalsContact O-CA 3.31Å; D89-I110 WeakPolarHBondContact O-CA 3.36Å; D89-V111 PolarHBondContact N-O 3.13Å; D89-V111 PolarHBondContact O-N 3.18Å
90	F	94.4	Very high	92.4	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.013	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	159.5	177.9	-57.7	-86.1	0	0	0	111.4	K95 L105 A108 I110 L204 R205 A208	F90-K95 WeakPolarHBondContact O-CE 3.37Å; F90-K95 VanDerWaalsContact O-CG 3.28Å; F90-K95 WeakPolarHBondContact O-CG 3.23Å; F90-L105 HydrophobicContact CD1-CD2 3.96Å; F90-L105 HydrophobicContact CD2-CD2 4.38Å; F90-L105 HydrophobicContact CE1-CB 3.96Å; F90-L105 HydrophobicContact CE1-CD2 3.84Å; F90-L105 HydrophobicContact CE1-CG 4.47Å; F90-L105 HydrophobicContact CE2-CD2 4.26Å; F90-L105 HydrophobicContact CG-CD2 4.23Å; F90-L105 HydrophobicContact CZ-CB 3.99Å; F90-L105 HydrophobicContact CZ-CD2 4Å; F90-L105 HydrophobicContact CZ-CG 4.41Å; F90-A108 HydrophobicContact CD1-CB 3.9Å; F90-A108 HydrophobicContact CE1-CB 4.31Å; F90-I110 HydrophobicContact CD1-CG2 3.59Å; F90-I110 HydrophobicContact CE1-CG2 3.9Å; F90-I110 HydrophobicContact CG-CG2 4.24Å; F90-L204 HydrophobicContact CD2-CD1 4.39Å; F90-L204 HydrophobicContact CE2-CD1 3.71Å; F90-L204 HydrophobicContact CE2-CD2 4.36Å; F90-L204 HydrophobicContact CE2-CG 3.89Å; F90-L204 HydrophobicContact CZ-CD1 4.25Å; F90-L204 HydrophobicContact CZ-CD2 4.48Å; F90-L204 HydrophobicContact CZ-CG 3.95Å; F90-R205 HydrophobicContact CE1-CG 4.46Å; F90-A208 HydrophobicContact CE2-CB 3.69Å; F90-A208 HydrophobicContact CZ-CB 3.88Å
91	L	92.4	Very high	92	Very high	67 Å²	67	49.7 Å²	49.7	35%	0.351	26%	0.264	S	S	.	.			trans	-58.9	150.3	169.3	-72.3	-172.8	0	0	0	111.4	N93 Y94 K95 P109 V111	L91-N93 PolarHBondContact O-N 2.9Å; L91-Y94 HydrophobicContact CB-CD2 4.23Å; L91-Y94 PolarHBondContact O-N 2.93Å; L91-K95 PolarHBondContact O-N 2.82Å; L91-P109 HydrophobicContact CB-CG 4.29Å; L91-P109 HydrophobicContact CD1-CB 3.81Å; L91-P109 HydrophobicContact CD1-CG 3.64Å; L91-P109 HydrophobicContact CG-CB 4.05Å; L91-P109 HydrophobicContact CG-CG 4.01Å; L91-P109 PolarHBondContact N-O 2.97Å; L91-V111 HydrophobicContact CD2-CG1 3.6Å; L91-V111 HydrophobicContact CD2-CG2 4.17Å
92	P	89	Confident	91.8	Very high	94 Å²	94	50 Å²	50	61%	0.61	27%	0.266	S	S	*	.	H	α-helix	trans	-49	-33.9	-170.2	-32.4	36.9	0	0	0	116.1	Y94 K95	P92-Y94 PolarHBondContact O-N 2.87Å; P92-K95 PolarHBondContact O-N 2.84Å
93	N	89.7	Confident	91.7	Very high	122 Å²	122	50.3 Å²	50.3	65%	0.652	26%	0.263	S	S	*	.	H	α-helix	trans	-63.8	-18	178	-66.4	-9.8	0	0	0	114	L91 S99	L91-N93 PolarHBondContact O-N 2.9Å; N93-S99 VanDerWaalsContact O-CB 3.27Å; N93-S99 WeakPolarHBondContact O-CB 3.43Å; N93-S99 PolarHBondContact O-OG 2.95Å
94	Y	92.7	Very high	91.8	Very high	66 Å²	66	52.3 Å²	52.3	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-112.4	-12.2	-179.8	-53.4	-88	0	0	0	113	L91 P92 S96 C100 V104 A108 P109 R212	L91-Y94 HydrophobicContact CB-CD2 4.23Å; L91-Y94 PolarHBondContact O-N 2.93Å; P92-Y94 PolarHBondContact O-N 2.87Å; Y94-S96 VanDerWaalsContact C-N 3.32Å; Y94-S96 PolarHBondContact O-N 3Å; Y94-C100 HydrophobicContact CD1-CB 3.94Å; Y94-V104 HydrophobicContact CD1-CG1 4.34Å; Y94-V104 HydrophobicContact CE1-CG1 3.82Å; Y94-A108 HydrophobicContact CD1-CB 3.78Å; Y94-A108 HydrophobicContact CD2-CB 4.3Å; Y94-A108 HydrophobicContact CE1-CB 4.04Å; Y94-A108 HydrophobicContact CG-CB 3.93Å; Y94-P109 HydrophobicContact CD2-CG 4.37Å; Y94-P109 HydrophobicContact CE2-CG 3.76Å; Y94-R212 VanDerWaalsContact O-CZ 3.3Å; Y94-R212 PolarHBondContact O-NH1 3.34Å; Y94-R212 PolarHBondContact O-NH2 2.97Å
95	K	88.2	Confident	91.8	Very high	66 Å²	66	50.3 Å²	50.3	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-36	179.2	-66.1	-165.6	-177.6	-158.5	0	112.7	D89 F90 L91 P92 W97 R212	D89-K95 VanDerWaalsContact CG-NZ 3.3Å; D89-K95 VanDerWaalsContact OD2-CD 3.32Å; D89-K95 WeakPolarHBondContact OD2-CD 3.32Å; D89-K95 WeakPolarHBondContact OD2-CE 3.43Å; D89-K95 IonicContact OD2-NZ 2.94Å; D89-K95 PolarHBondContact OD2-NZ 2.9Å; F90-K95 WeakPolarHBondContact O-CE 3.37Å; F90-K95 VanDerWaalsContact O-CG 3.28Å; F90-K95 WeakPolarHBondContact O-CG 3.23Å; L91-K95 PolarHBondContact O-N 2.82Å; P92-K95 PolarHBondContact O-N 2.84Å; K95-W97 PolarHBondContact O-N 2.94Å; K95-R212 PolarHBondContact O-NH2 2.95Å
96	S	88.6	Confident	91.9	Very high	32 Å²	32	50.5 Å²	50.5	22%	0.224	27%	0.265	C	S	.	.	S	Bend	trans	-71.6	130.7	177.2	175.5	0	0	0	0	111	Y94 H98 S99 R212 R704	Y94-S96 VanDerWaalsContact C-N 3.32Å; Y94-S96 PolarHBondContact O-N 3Å; S96-H98 PolarHBondContact O-N 2.85Å; S96-H98 VanDerWaalsContact O-N 3.13Å; S96-S99 WeakPolarHBondContact CB-OG 3.42Å; S96-S99 PolarHBondContact O-N 2.93Å; S96-S99 PolarHBondContact O-OG 2.84Å; S96-R212 PolarHBondContact O-NH1 3.42Å; S96-R212 VanDerWaalsContact O-NH1 3.13Å; S96-R704 PolarHBondContact OG-NH1 3.37Å; S96-R704 PolarHBondContact OG-NH2 3.39Å; S96-R704 VanDerWaalsContact OG-NH2 3.09Å
97	W	90.2	Very high	92	Very high	83 Å²	83	54.5 Å²	54.5	31%	0.314	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.3	-179.9	-81.8	47.2	0	0	0	114.7	K95 T211 R212 T215 L216 L230	K95-W97 PolarHBondContact O-N 2.94Å; W97-T211 HydrophobicContact CH2-CG2 3.78Å; W97-T211 HydrophobicContact CZ2-CG2 4.14Å; W97-R212 HydrophobicContact CD2-CG 3.82Å; W97-R212 HydrophobicContact CE3-CB 4.42Å; W97-R212 HydrophobicContact CE3-CG 3.94Å; W97-R212 HydrophobicContact CG-CG 4.25Å; W97-R212 HydrophobicContact CH2-CG 4.3Å; W97-R212 HydrophobicContact CZ2-CG 4.21Å; W97-R212 HydrophobicContact CZ3-CB 4.48Å; W97-R212 HydrophobicContact CZ3-CG 4.19Å; W97-T215 HydrophobicContact CH2-CG2 4.06Å; W97-T215 HydrophobicContact CZ3-CG2 3.66Å; W97-L216 HydrophobicContact CE3-CD1 4.38Å; W97-L216 HydrophobicContact CE3-CD2 3.99Å; W97-L216 HydrophobicContact CE3-CG 4.01Å; W97-L216 HydrophobicContact CZ3-CG 4.35Å; W97-L230 HydrophobicContact CH2-CD1 3.34Å; W97-L230 HydrophobicContact CZ2-CD1 3.72Å; W97-L230 HydrophobicContact CZ3-CD1 4.35Å
98	H	89.4	Confident	92.1	Very high	101 Å²	101	50.9 Å²	50.9	47%	0.468	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	26.6	178.5	-48.7	98.2	0	0	0	113.1	S96 L216	S96-H98 PolarHBondContact O-N 2.85Å; S96-H98 VanDerWaalsContact O-N 3.13Å; H98-L216 VanDerWaalsContact NE2-CD2 3.33Å; H98-L216 WeakPolarHBondContact NE2-CD2 3.3Å
99	S	88.4	Confident	92.2	Very high	57 Å²	57	51.6 Å²	51.6	40%	0.399	28%	0.276	S	S	.	.	S	Bend	trans	-103.7	-7.4	173.9	63.7	0	0	0	0	114.5	N93 S96	N93-S99 VanDerWaalsContact O-CB 3.27Å; N93-S99 WeakPolarHBondContact O-CB 3.43Å; N93-S99 PolarHBondContact O-OG 2.95Å; S96-S99 WeakPolarHBondContact CB-OG 3.42Å; S96-S99 PolarHBondContact O-N 2.93Å; S96-S99 PolarHBondContact O-OG 2.84Å
100	C	88	Confident	92.3	Very high	21 Å²	21	50.8 Å²	50.8	14%	0.142	27%	0.272	C	S	.	.	S	Bend	trans	-151.1	155.8	172.5	64.8	0	0	0	0	111	Y94	Y94-C100 HydrophobicContact CD1-CB 3.94Å
101	N	89.8	Confident	92.3	Very high	54 Å²	54	53.2 Å²	53.2	29%	0.289	29%	0.287	S	S	.	.			trans	-57.6	131.3	162.8	171.3	-17.6	0	0	0	109.3	M103 V104 M665	N101-M103 PolarHBondContact O-N 2.84Å; N101-M103 VanDerWaalsContact OD1-CB 3.3Å; N101-M103 WeakPolarHBondContact OD1-CB 3.27Å; N101-M103 PolarHBondContact OD1-N 3.04Å; N101-V104 HydrophobicContact CB-CG2 4.09Å; N101-V104 WeakPolarHBondContact O-CB 3.32Å; N101-V104 PolarHBondContact O-N 2.77Å; N101-M665 HydrophobicContact CB-CE 4.2Å; N101-M665 WeakPolarHBondContact ND2-CG 3.28Å; N101-M665 PolarHBondContact ND2-SD 3.38Å; N101-M665 VanDerWaalsContact OD1-CE 3.26Å; N101-M665 WeakPolarHBondContact OD1-CE 3.41Å; N101-M665 PolarHBondContact OD1-SD 3.46Å; N101-M665 VanDerWaalsContact OD1-SD 3.39Å
102	P	94	Very high	92.4	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.039	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-59.8	-24.1	-180	-24.9	35.1	0	0	0	115.2	V104 L105 R212 F630	P102-V104 PolarHBondContact O-N 2.79Å; P102-L105 HydrophobicContact CB-CD1 4.47Å; P102-L105 WeakPolarHBondContact O-CB 3.48Å; P102-L105 WeakPolarHBondContact O-CG 3.4Å; P102-L105 PolarHBondContact O-N 3.18Å; P102-L105 VanDerWaalsContact O-N 3.13Å; P102-R212 HydrophobicContact CB-CB 4.14Å; P102-R212 HydrophobicContact CG-CB 3.9Å; P102-F630 HydrophobicContact CB-CZ 3.99Å
103	M	94.1	Very high	92.5	Very high	48 Å²	48	52.6 Å²	52.6	24%	0.236	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-59.9	-32.3	172.8	-171.5	175.7	-78.6	0	0	112.3	N101 L105 F106 F630 R631 L634	N101-M103 PolarHBondContact O-N 2.84Å; N101-M103 VanDerWaalsContact OD1-CB 3.3Å; N101-M103 WeakPolarHBondContact OD1-CB 3.27Å; N101-M103 PolarHBondContact OD1-N 3.04Å; M103-L105 PolarHBondContact O-N 3.17Å; M103-F106 WeakPolarHBondContact O-CD2 3.24Å; M103-F106 PolarHBondContact O-N 3.2Å; M103-F630 HydrophobicContact CB-CD1 4.2Å; M103-F630 HydrophobicContact CB-CE1 3.78Å; M103-F630 HydrophobicContact CE-CD1 4.19Å; M103-F630 HydrophobicContact CE-CE1 4.49Å; M103-F630 HydrophobicContact CG-CD1 4.29Å; M103-F630 HydrophobicContact CG-CE1 4.37Å; M103-R631 HydrophobicContact CE-CB 4.04Å; M103-R631 HydrophobicContact CE-CG 4.17Å; M103-L634 HydrophobicContact CE-CD1 3.63Å
104	V	95.2	Very high	92.7	Very high	55 Å²	55	48.2 Å²	48.2	33%	0.333	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.7	-179.5	-176.7	0	0	0	0	111.3	Y94 N101 P102 F106 D107 A108	Y94-V104 HydrophobicContact CD1-CG1 4.34Å; Y94-V104 HydrophobicContact CE1-CG1 3.82Å; N101-V104 HydrophobicContact CB-CG2 4.09Å; N101-V104 WeakPolarHBondContact O-CB 3.32Å; N101-V104 PolarHBondContact O-N 2.77Å; P102-V104 PolarHBondContact O-N 2.79Å; V104-F106 PolarHBondContact O-N 3.34Å; V104-D107 PolarHBondContact O-N 3.37Å; V104-D107 VanDerWaalsContact O-N 3.1Å; V104-A108 VanDerWaalsContact O-CB 3.31Å; V104-A108 WeakPolarHBondContact O-CB 3.31Å; V104-A108 PolarHBondContact O-N 2.9Å
105	L	96.1	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.6	-18.7	-179.9	-59.4	174.8	0	0	0	113.5	F90 P102 M103 D107 A108 R205 A208 A209	F90-L105 HydrophobicContact CD1-CD2 3.96Å; F90-L105 HydrophobicContact CD2-CD2 4.38Å; F90-L105 HydrophobicContact CE1-CB 3.96Å; F90-L105 HydrophobicContact CE1-CD2 3.84Å; F90-L105 HydrophobicContact CE1-CG 4.47Å; F90-L105 HydrophobicContact CE2-CD2 4.26Å; F90-L105 HydrophobicContact CG-CD2 4.23Å; F90-L105 HydrophobicContact CZ-CB 3.99Å; F90-L105 HydrophobicContact CZ-CD2 4Å; F90-L105 HydrophobicContact CZ-CG 4.41Å; P102-L105 HydrophobicContact CB-CD1 4.47Å; P102-L105 WeakPolarHBondContact O-CB 3.48Å; P102-L105 WeakPolarHBondContact O-CG 3.4Å; P102-L105 PolarHBondContact O-N 3.18Å; P102-L105 VanDerWaalsContact O-N 3.13Å; M103-L105 PolarHBondContact O-N 3.17Å; L105-D107 VanDerWaalsContact C-N 3.28Å; L105-D107 PolarHBondContact O-N 3.1Å; L105-A108 HydrophobicContact CD2-CB 4.37Å; L105-R205 PolarHBondContact O-NH1 3.42Å; L105-R205 VanDerWaalsContact O-NH1 3.12Å; L105-A208 HydrophobicContact CD1-CB 4.03Å; L105-A209 HydrophobicContact CB-CB 4.47Å
106	F	96.7	Very high	92.8	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.013	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63.5	-35.6	169.7	-73.8	-82.6	0	0	0	111.8	M103 V104 R205 I206 A209 F210 L623 K627 F630	M103-F106 WeakPolarHBondContact O-CD2 3.24Å; M103-F106 PolarHBondContact O-N 3.2Å; V104-F106 PolarHBondContact O-N 3.34Å; F106-R205 PolarHBondContact O-NH1 3.23Å; F106-I206 HydrophobicContact CE1-CG1 4.21Å; F106-A209 HydrophobicContact CD2-CB 4.05Å; F106-A209 HydrophobicContact CE2-CB 3.43Å; F106-A209 VanDerWaalsContact CE2-CB 3.43Å; F106-A209 HydrophobicContact CZ-CB 3.84Å; F106-F210 HydrophobicContact CZ-CE2 4.13Å; F106-L623 HydrophobicContact CD1-CD2 4.14Å; F106-K627 HydrophobicContact CB-CB 4.39Å; F106-K627 HydrophobicContact CB-CD 3.97Å; F106-K627 HydrophobicContact CB-CG 4.14Å; F106-K627 HydrophobicContact CD1-CB 3.84Å; F106-K627 HydrophobicContact CD1-CG 4.41Å; F106-K627 HydrophobicContact CD2-CB 4.21Å; F106-K627 HydrophobicContact CD2-CG 4.03Å; F106-K627 HydrophobicContact CE1-CB 4.16Å; F106-K627 HydrophobicContact CE2-CB 4.5Å; F106-K627 HydrophobicContact CG-CB 3.88Å; F106-K627 HydrophobicContact CG-CD 4.31Å; F106-K627 HydrophobicContact CG-CG 3.93Å; F106-K627 HydrophobicContact CZ-CB 4.48Å; F106-F630 HydrophobicContact CD2-CD1 4.48Å; F106-F630 HydrophobicContact CE2-CB 3.67Å; F106-F630 AromaticContact CE2-CD1 3.74Å; F106-F630 HydrophobicContact CE2-CD1 3.74Å; F106-F630 HydrophobicContact CE2-CD2 4.17Å; F106-F630 HydrophobicContact CE2-CE1 4.45Å; F106-F630 AromaticContact CE2-CG 3.59Å; F106-F630 HydrophobicContact CE2-CG 3.59Å; F106-F630 HydrophobicContact CZ-CB 3.79Å; F106-F630 HydrophobicContact CZ-CG 4.08Å
107	D	95.8	Very high	92.9	Very high	102 Å²	102	58.4 Å²	58.4	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-15.1	-176	-42.9	-63.8	0	0	0	113.5	V104 L105 K627	V104-D107 PolarHBondContact O-N 3.37Å; V104-D107 VanDerWaalsContact O-N 3.1Å; L105-D107 VanDerWaalsContact C-N 3.28Å; L105-D107 PolarHBondContact O-N 3.1Å; D107-K627 IonicContact OD1-NZ 2.7Å; D107-K627 PolarHBondContact OD1-NZ 3.03Å; D107-K627 WeakPolarHBondContact OD2-CE 3.49Å; D107-K627 IonicContact OD2-NZ 2.79Å; D107-K627 PolarHBondContact OD2-NZ 3.01Å
108	A	94.9	Very high	93.2	Very high	2 Å²	2	58 Å²	58	2%	0.017	30%	0.299	C	S	.	.	S	Bend	trans	-59.3	141.9	-171.1	0	0	0	0	0	112.6	F90 Y94 V104 L105 I110 R205	F90-A108 HydrophobicContact CD1-CB 3.9Å; F90-A108 HydrophobicContact CE1-CB 4.31Å; Y94-A108 HydrophobicContact CD1-CB 3.78Å; Y94-A108 HydrophobicContact CD2-CB 4.3Å; Y94-A108 HydrophobicContact CE1-CB 4.04Å; Y94-A108 HydrophobicContact CG-CB 3.93Å; V104-A108 VanDerWaalsContact O-CB 3.31Å; V104-A108 WeakPolarHBondContact O-CB 3.31Å; V104-A108 PolarHBondContact O-N 2.9Å; L105-A108 HydrophobicContact CD2-CB 4.37Å; A108-I110 PolarHBondContact O-N 3.37Å; A108-R205 PolarHBondContact O-NH1 2.72Å; A108-R205 PolarHBondContact O-NH2 3.47Å; A108-R205 VanDerWaalsContact O-NH2 3.14Å
109	P	95.7	Very high	93.6	Very high	55 Å²	55	56.3 Å²	56.3	36%	0.357	29%	0.292	S	S	.	.			trans	-65.1	132.5	177.1	26.5	-35.1	0	0	0	111.6	L91 Y94	L91-P109 HydrophobicContact CB-CG 4.29Å; L91-P109 HydrophobicContact CD1-CB 3.81Å; L91-P109 HydrophobicContact CD1-CG 3.64Å; L91-P109 HydrophobicContact CG-CB 4.05Å; L91-P109 HydrophobicContact CG-CG 4.01Å; L91-P109 PolarHBondContact N-O 2.97Å; Y94-P109 HydrophobicContact CD2-CG 4.37Å; Y94-P109 HydrophobicContact CE2-CG 3.76Å
110	I	95.8	Very high	94	Very high	30 Å²	30	55.6 Å²	55.6	15%	0.154	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	162.1	174.6	66.9	176.1	0	0	0	110.7	Y88 D89 F90 A108 E201 L204	Y88-I110 HydrophobicContact CD1-CD1 3.55Å; Y88-I110 HydrophobicContact CD1-CG1 4.08Å; Y88-I110 HydrophobicContact CE1-CD1 4.01Å; Y88-I110 HydrophobicContact CG-CD1 4.3Å; D89-I110 CarbonylContact O-C 3.51Å; D89-I110 VanDerWaalsContact O-CA 3.31Å; D89-I110 WeakPolarHBondContact O-CA 3.36Å; F90-I110 HydrophobicContact CD1-CG2 3.59Å; F90-I110 HydrophobicContact CE1-CG2 3.9Å; F90-I110 HydrophobicContact CG-CG2 4.24Å; A108-I110 PolarHBondContact O-N 3.37Å; I110-E201 HydrophobicContact CD1-CB 3.98Å; I110-E201 HydrophobicContact CD1-CG 3.59Å; I110-E201 WeakPolarHBondContact CD1-OE1 3.15Å; I110-L204 HydrophobicContact CG2-CD2 4.18Å
111	V	94.1	Very high	94.5	Very high	54 Å²	54	54.7 Å²	54.7	33%	0.327	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.5	173.6	-72.9	0	0	0	0	109.9	Y88 D89 L91	Y88-V111 WeakPolarHBondContact CA-O 3.5Å; D89-V111 PolarHBondContact N-O 3.13Å; D89-V111 PolarHBondContact O-N 3.18Å; L91-V111 HydrophobicContact CD2-CG1 3.6Å; L91-V111 HydrophobicContact CD2-CG2 4.17Å
112	K	94	Very high	94.9	Very high	66 Å²	66	53.6 Å²	53.6	29%	0.287	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.6	164.2	-141.3	-175.2	-172.2	-176	0	107.3	T86 N87 Y88 N147 E151 D197	T86-K112 VanDerWaalsContact OG1-CD 3.24Å; T86-K112 WeakPolarHBondContact OG1-CD 3.34Å; T86-K112 WeakPolarHBondContact OG1-CE 3.32Å; T86-K112 WeakPolarHBondContact OG1-CG 3.22Å; N87-K112 WeakPolarHBondContact O-CA 3.45Å; Y88-K112 HydrophobicContact CD1-CB 3.95Å; Y88-K112 HydrophobicContact CD1-CG 4.05Å; Y88-K112 HydrophobicContact CD2-CD 4.2Å; Y88-K112 HydrophobicContact CD2-CG 3.84Å; Y88-K112 HydrophobicContact CE1-CB 3.73Å; Y88-K112 HydrophobicContact CE1-CD 4.33Å; Y88-K112 HydrophobicContact CE1-CG 3.92Å; Y88-K112 HydrophobicContact CE2-CB 4.42Å; Y88-K112 HydrophobicContact CE2-CD 3.59Å; Y88-K112 VanDerWaalsContact CE2-CE 3.49Å; Y88-K112 HydrophobicContact CE2-CG 3.69Å; Y88-K112 HydrophobicContact CG-CB 4.41Å; Y88-K112 HydrophobicContact CG-CG 4.02Å; K112-N147 PolarHBondContact NZ-OD1 2.93Å; K112-E151 WeakPolarHBondContact CE-OE1 3.28Å; K112-E151 IonicContact NZ-OE1 3.65Å; K112-E151 PolarHBondContact NZ-OE1 2.9Å; K112-D197 WeakPolarHBondContact CE-OD1 3.3Å; K112-D197 IonicContact NZ-OD1 2.71Å; K112-D197 PolarHBondContact NZ-OD1 2.95Å
113	Q	92.4	Very high	95.1	Very high	82 Å²	82	57.1 Å²	57.1	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.5	-174.7	48.3	159.8	53.3	0	0	111	T86 N87 L115	T86-Q113 CarbonylContact C-O 3.59Å; T86-Q113 VanDerWaalsContact CA-O 3.23Å; T86-Q113 WeakPolarHBondContact CA-O 3.34Å; T86-Q113 WeakPolarHBondContact CB-O 3.29Å; N87-Q113 PolarHBondContact N-O 2.92Å; N87-Q113 PolarHBondContact O-N 2.9Å; Q113-L115 PolarHBondContact O-N 2.96Å
114	V	93.6	Very high	95.2	Very high	30 Å²	30	54.9 Å²	54.9	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134.3	174.5	167.9	0	0	0	0	110.1	L85 T86 K122 V155	L85-V114 WeakPolarHBondContact O-CA 3.31Å; T86-V114 HydrophobicContact CG2-CG2 3.76Å; V114-K122 HydrophobicContact CG1-CB 4.28Å; V114-K122 HydrophobicContact CG2-CD 4.06Å; V114-K122 HydrophobicContact CG2-CG 4.45Å; V114-V155 HydrophobicContact CG2-CG2 4.46Å
115	L	90.2	Very high	95.4	Very high	60 Å²	60	52.3 Å²	52.3	31%	0.314	26%	0.262	S	S	.	.			trans	-66.4	134.4	176.2	-67.9	173.4	0	0	0	109.8	L85 N87 Q113 D117 Y118 E119	L85-L115 PolarHBondContact O-N 2.93Å; N87-L115 HydrophobicContact CB-CD2 3.78Å; N87-L115 HydrophobicContact CB-CG 4.26Å; Q113-L115 PolarHBondContact O-N 2.96Å; L115-D117 PolarHBondContact O-N 3.11Å; L115-D117 VanDerWaalsContact O-N 3.07Å; L115-Y118 HydrophobicContact CB-CD2 3.85Å; L115-Y118 HydrophobicContact CB-CE2 4.45Å; L115-Y118 HydrophobicContact CB-CG 4.34Å; L115-Y118 HydrophobicContact CD1-CD2 3.89Å; L115-Y118 HydrophobicContact CD1-CE2 3.75Å; L115-Y118 HydrophobicContact CG-CD2 4.42Å; L115-Y118 CarbonylContact O-C 3.45Å; L115-Y118 WeakPolarHBondContact O-CA 2.9Å; L115-Y118 PolarHBondContact O-N 3.5Å; L115-E119 PolarHBondContact O-N 3.12Å
116	K	91	Very high	95.5	Very high	184 Å²	184	54 Å²	54	80%	0.8	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-52.2	-39	-171	-174.5	-173	173.2	-166.5	0	113.4	Y118 E119	K116-Y118 VanDerWaalsContact C-N 3.27Å; K116-Y118 PolarHBondContact O-N 2.97Å; K116-E119 WeakPolarHBondContact O-CB 3.42Å; K116-E119 PolarHBondContact O-N 2.94Å
117	D	92.3	Very high	95.5	Very high	134 Å²	134	57.8 Å²	57.8	72%	0.717	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-80.2	-10.5	-177.2	-53.1	-41.2	0	0	0	112.8	L115	L115-D117 PolarHBondContact O-N 3.11Å; L115-D117 VanDerWaalsContact O-N 3.07Å
118	Y	95.9	Very high	95.6	Very high	73 Å²	73	53.4 Å²	53.4	29%	0.286	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-102.8	0	174.6	-58.9	-22.2	0	0	0	113.5	H84 L115 K116 P120 I121 K122	H84-Y118 VanDerWaalsContact O-CD2 3.22Å; H84-Y118 WeakPolarHBondContact O-CD2 3.37Å; H84-Y118 WeakPolarHBondContact O-CE2 3.02Å; L115-Y118 HydrophobicContact CB-CD2 3.85Å; L115-Y118 HydrophobicContact CB-CE2 4.45Å; L115-Y118 HydrophobicContact CB-CG 4.34Å; L115-Y118 HydrophobicContact CD1-CD2 3.89Å; L115-Y118 HydrophobicContact CD1-CE2 3.75Å; L115-Y118 HydrophobicContact CG-CD2 4.42Å; L115-Y118 CarbonylContact O-C 3.45Å; L115-Y118 WeakPolarHBondContact O-CA 2.9Å; L115-Y118 PolarHBondContact O-N 3.5Å; K116-Y118 VanDerWaalsContact C-N 3.27Å; K116-Y118 PolarHBondContact O-N 2.97Å; Y118-P120 VanDerWaalsContact C-CD 3.42Å; Y118-P120 VanDerWaalsContact C-N 3.29Å; Y118-I121 HydrophobicContact CD1-CD1 3.76Å; Y118-I121 HydrophobicContact CG-CD1 4.01Å; Y118-I121 WeakPolarHBondContact O-CA 3.47Å; Y118-I121 VanDerWaalsContact O-CB 3.26Å; Y118-I121 WeakPolarHBondContact O-CB 3.46Å; Y118-I121 PolarHBondContact O-N 3.05Å; Y118-K122 PolarHBondContact O-N 3.19Å
119	E	96.9	Very high	95.8	Very high	67 Å²	67	53.3 Å²	53.3	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-53.5	-37.3	169.1	-179.6	56.2	-152.9	0	0	113.1	L115 K116 I121 K122 Q123	L115-E119 PolarHBondContact O-N 3.12Å; K116-E119 WeakPolarHBondContact O-CB 3.42Å; K116-E119 PolarHBondContact O-N 2.94Å; E119-I121 PolarHBondContact O-N 2.88Å; E119-K122 WeakPolarHBondContact O-CB 3.42Å; E119-K122 PolarHBondContact O-N 3.38Å; E119-K122 WeakPolarHBondContact OE2-CD 3.49Å; E119-Q123 VanDerWaalsContact O-CG 3.32Å; E119-Q123 WeakPolarHBondContact O-CG 3.4Å; E119-Q123 PolarHBondContact O-N 2.74Å; E119-Q123 WeakPolarHBondContact OE1-CG 3.31Å; E119-Q123 PolarHBondContact OE1-NE2 3.11Å
120	P	97.7	Very high	95.9	Very high	41 Å²	41	57.9 Å²	57.9	27%	0.266	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-28	169.6	-24.9	36.4	0	0	0	114.2	I56 Y118 T124	I56-P120 HydrophobicContact CB-CB 4.44Å; I56-P120 HydrophobicContact CG2-CB 4.16Å; Y118-P120 VanDerWaalsContact C-CD 3.42Å; Y118-P120 VanDerWaalsContact C-N 3.29Å; P120-T124 WeakPolarHBondContact O-CB 3.44Å; P120-T124 PolarHBondContact O-N 2.71Å; P120-T124 PolarHBondContact O-OG1 3.37Å
121	I	98.1	Very high	95.8	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-74.8	-47.4	174.3	-48.7	179	0	0	0	109.1	N60 V81 S82 L85 Y118 E119 Q123 T124 L125	N60-I121 WeakPolarHBondContact OD1-CD1 3.39Å; N60-I121 WeakPolarHBondContact OD1-CG1 3.43Å; V81-I121 HydrophobicContact CB-CG2 4.44Å; V81-I121 HydrophobicContact CG1-CG2 4.11Å; S82-I121 WeakPolarHBondContact OG-CD1 3.27Å; L85-I121 HydrophobicContact CD2-CB 3.94Å; L85-I121 HydrophobicContact CD2-CD1 4.45Å; L85-I121 HydrophobicContact CD2-CG2 3.75Å; Y118-I121 HydrophobicContact CD1-CD1 3.76Å; Y118-I121 HydrophobicContact CG-CD1 4.01Å; Y118-I121 WeakPolarHBondContact O-CA 3.47Å; Y118-I121 VanDerWaalsContact O-CB 3.26Å; Y118-I121 WeakPolarHBondContact O-CB 3.46Å; Y118-I121 PolarHBondContact O-N 3.05Å; E119-I121 PolarHBondContact O-N 2.88Å; I121-Q123 VanDerWaalsContact C-N 3.31Å; I121-Q123 PolarHBondContact O-N 2.94Å; I121-T124 WeakPolarHBondContact O-CA 3.41Å; I121-T124 WeakPolarHBondContact O-CB 3.43Å; I121-T124 PolarHBondContact O-N 3.43Å; I121-L125 PolarHBondContact O-N 2.92Å
122	K	97.9	Very high	96	Very high	31 Å²	31	56.2 Å²	56.2	14%	0.135	26%	0.263	C	S	.	.	H	α-helix	trans	-49.9	-52.8	173.2	-171.5	-169.5	179	146.1	0	111	V114 Y118 E119 T124 L125 Q126 V155 E158	V114-K122 HydrophobicContact CG1-CB 4.28Å; V114-K122 HydrophobicContact CG2-CD 4.06Å; V114-K122 HydrophobicContact CG2-CG 4.45Å; Y118-K122 PolarHBondContact O-N 3.19Å; E119-K122 WeakPolarHBondContact O-CB 3.42Å; E119-K122 PolarHBondContact O-N 3.38Å; E119-K122 WeakPolarHBondContact OE2-CD 3.49Å; K122-T124 VanDerWaalsContact C-N 3.27Å; K122-T124 PolarHBondContact O-N 2.93Å; K122-L125 PolarHBondContact O-N 2.78Å; K122-Q126 HydrophobicContact CG-CG 4.44Å; K122-Q126 WeakPolarHBondContact O-CB 3.33Å; K122-Q126 WeakPolarHBondContact O-CG 3.12Å; K122-Q126 PolarHBondContact O-N 3.13Å; K122-V155 HydrophobicContact CB-CG1 4.48Å; K122-V155 HydrophobicContact CG-CG1 3.63Å; K122-V155 HydrophobicContact CG-CG2 4.11Å; K122-E158 WeakPolarHBondContact CE-OE2 3.43Å; K122-E158 IonicContact NZ-OE1 2.81Å; K122-E158 PolarHBondContact NZ-OE1 2.98Å; K122-E158 IonicContact NZ-OE2 2.66Å; K122-E158 PolarHBondContact NZ-OE2 3.24Å
123	Q	97.9	Very high	96	Very high	80 Å²	80	56.4 Å²	56.4	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-30.7	179.5	-67.6	173.4	11.5	0	0	112.9	I56 E119 I121 R127	I56-Q123 HydrophobicContact CD1-CB 3.69Å; E119-Q123 VanDerWaalsContact O-CG 3.32Å; E119-Q123 WeakPolarHBondContact O-CG 3.4Å; E119-Q123 PolarHBondContact O-N 2.74Å; E119-Q123 WeakPolarHBondContact OE1-CG 3.31Å; E119-Q123 PolarHBondContact OE1-NE2 3.11Å; I121-Q123 VanDerWaalsContact C-N 3.31Å; I121-Q123 PolarHBondContact O-N 2.94Å; Q123-R127 WeakPolarHBondContact O-CB 3.35Å; Q123-R127 PolarHBondContact O-N 2.92Å
124	T	98.2	Very high	96.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-46	174.8	-56.6	0	0	0	0	111.1	I56 I62 P120 I121 K122 R127 E128	I56-T124 WeakPolarHBondContact CB-OG1 3.4Å; I56-T124 PolarHBondContact N-OG1 3.22Å; I62-T124 HydrophobicContact CD1-CG2 4.05Å; I62-T124 HydrophobicContact CG1-CG2 4.49Å; P120-T124 WeakPolarHBondContact O-CB 3.44Å; P120-T124 PolarHBondContact O-N 2.71Å; P120-T124 PolarHBondContact O-OG1 3.37Å; I121-T124 WeakPolarHBondContact O-CA 3.41Å; I121-T124 WeakPolarHBondContact O-CB 3.43Å; I121-T124 PolarHBondContact O-N 3.43Å; K122-T124 VanDerWaalsContact C-N 3.27Å; K122-T124 PolarHBondContact O-N 2.93Å; T124-R127 WeakPolarHBondContact O-CB 3.45Å; T124-R127 PolarHBondContact O-N 2.96Å; T124-R127 VanDerWaalsContact O-N 3.13Å; T124-E128 PolarHBondContact O-N 2.98Å; T124-E128 VanDerWaalsContact O-N 3.08Å
125	L	98.4	Very high	96.5	Very high	1 Å²	1	53 Å²	53	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-50.6	175.5	-65.1	173.6	0	0	0	110.9	V31 T79 V81 L85 I121 K122 R127 E128 V129 V152 V155	V31-L125 HydrophobicContact CG1-CD2 4.01Å; V31-L125 HydrophobicContact CG2-CD2 3.67Å; T79-L125 HydrophobicContact CG2-CD2 4.03Å; V81-L125 HydrophobicContact CG1-CD1 4.15Å; L85-L125 HydrophobicContact CD1-CD1 3.72Å; I121-L125 PolarHBondContact O-N 2.92Å; K122-L125 PolarHBondContact O-N 2.78Å; L125-R127 PolarHBondContact O-N 2.79Å; L125-E128 PolarHBondContact O-N 3.08Å; L125-V129 VanDerWaalsContact O-CB 3.31Å; L125-V129 WeakPolarHBondContact O-CB 3.41Å; L125-V129 VanDerWaalsContact O-CG1 3.29Å; L125-V129 WeakPolarHBondContact O-CG1 2.98Å; L125-V129 PolarHBondContact O-N 3.3Å; L125-V152 HydrophobicContact CD1-CG1 4.33Å; L125-V152 HydrophobicContact CD1-CG2 4.26Å; L125-V155 HydrophobicContact CB-CG1 4Å; L125-V155 HydrophobicContact CD1-CG1 4.13Å
126	Q	98.2	Very high	96.9	Very high	34 Å²	34	50.1 Å²	50.1	16%	0.159	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-25.6	174.7	-71	-168.7	-19.8	0	0	113.7	K122 R130 V155 E158 I159	K122-Q126 HydrophobicContact CG-CG 4.44Å; K122-Q126 WeakPolarHBondContact O-CB 3.33Å; K122-Q126 WeakPolarHBondContact O-CG 3.12Å; K122-Q126 PolarHBondContact O-N 3.13Å; Q126-R130 WeakPolarHBondContact O-CG 3.36Å; Q126-R130 PolarHBondContact O-NE 2.92Å; Q126-R130 PolarHBondContact O-NH1 2.98Å; Q126-V155 HydrophobicContact CG-CG1 4.09Å; Q126-E158 PolarHBondContact NE2-OE2 2.9Å; Q126-I159 HydrophobicContact CB-CD1 4.24Å; Q126-I159 HydrophobicContact CB-CG1 3.77Å; Q126-I159 HydrophobicContact CG-CD1 4.09Å; Q126-I159 HydrophobicContact CG-CG1 3.6Å
127	R	97.7	Very high	97.3	Very high	84 Å²	84	41.4 Å²	41.4	32%	0.317	19%	0.193	S	C	.	.	H	α-helix	trans	-75.9	-54.6	176.6	-174.8	-178.3	76.5	-173.1	5	111.5	E54 I62 Q123 T124 L125	E54-R127 PolarHBondContact O-NH2 3.22Å; E54-R127 VanDerWaalsContact O-NH2 3.08Å; I62-R127 VanDerWaalsContact CD1-NH2 3.27Å; Q123-R127 WeakPolarHBondContact O-CB 3.35Å; Q123-R127 PolarHBondContact O-N 2.92Å; T124-R127 WeakPolarHBondContact O-CB 3.45Å; T124-R127 PolarHBondContact O-N 2.96Å; T124-R127 VanDerWaalsContact O-N 3.13Å; L125-R127 PolarHBondContact O-N 2.79Å
128	E	97.7	Very high	97.5	Very high	10 Å²	10	35 Å²	35	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-72.4	-37.3	-173.9	-54.1	-55	138.9	0	0	112.1	L29 R53 I62 V77 T124 L125 R130 S131 C132	L29-E128 HydrophobicContact CD1-CB 3.99Å; R53-E128 IonicContact CZ-OE2 2.76Å; R53-E128 IonicContact NH1-OE1 3.68Å; R53-E128 IonicContact NH1-OE2 2.97Å; R53-E128 IonicContact NH2-OE1 2.67Å; R53-E128 IonicContact NH2-OE2 2.6Å; R53-E128 PolarHBondContact NH2-OE2 3.17Å; I62-E128 HydrophobicContact CD1-CG 3.84Å; I62-E128 VanDerWaalsContact CD1-OE1 3.31Å; I62-E128 WeakPolarHBondContact CD1-OE1 3.31Å; V77-E128 HydrophobicContact CG1-CB 4.43Å; V77-E128 HydrophobicContact CG1-CG 4.42Å; T124-E128 PolarHBondContact O-N 2.98Å; T124-E128 VanDerWaalsContact O-N 3.08Å; L125-E128 PolarHBondContact O-N 3.08Å; E128-R130 PolarHBondContact O-N 3.34Å; E128-R130 VanDerWaalsContact O-N 3.11Å; E128-S131 PolarHBondContact O-N 2.81Å; E128-S131 PolarHBondContact O-OG 3.02Å; E128-C132 PolarHBondContact O-SG 2.74Å
129	V	98	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-56.9	-30.7	-176.6	74	0	0	0	0	113.5	L29 L125 S131 C132 C156 I159 I163	L29-V129 HydrophobicContact CD2-CB 3.9Å; L29-V129 HydrophobicContact CD2-CG2 4.27Å; L125-V129 VanDerWaalsContact O-CB 3.31Å; L125-V129 WeakPolarHBondContact O-CB 3.41Å; L125-V129 VanDerWaalsContact O-CG1 3.29Å; L125-V129 WeakPolarHBondContact O-CG1 2.98Å; L125-V129 PolarHBondContact O-N 3.3Å; V129-S131 PolarHBondContact O-N 2.94Å; V129-S131 VanDerWaalsContact O-N 3.16Å; V129-C132 PolarHBondContact O-N 3.5Å; V129-C132 VanDerWaalsContact O-N 3.12Å; V129-C156 HydrophobicContact CG2-CB 3.9Å; V129-I159 HydrophobicContact CG1-CB 3.85Å; V129-I159 HydrophobicContact CG1-CG1 4.39Å; V129-I159 HydrophobicContact CG1-CG2 3.78Å; V129-I163 HydrophobicContact CG2-CD1 3.46Å; V129-I163 VanDerWaalsContact CG2-CD1 3.46Å
130	R	97.4	Very high	97.4	Very high	150 Å²	150	28.5 Å²	28.5	57%	0.566	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-55.7	-32.7	176.3	-67.7	175.3	-176.8	125.6	8.8	112.6	Q126 E128 I159	Q126-R130 WeakPolarHBondContact O-CG 3.36Å; Q126-R130 PolarHBondContact O-NE 2.92Å; Q126-R130 PolarHBondContact O-NH1 2.98Å; E128-R130 PolarHBondContact O-N 3.34Å; E128-R130 VanDerWaalsContact O-N 3.11Å; R130-I159 HydrophobicContact CG-CG2 3.48Å; R130-I159 VanDerWaalsContact CG-CG2 3.48Å
131	S	95	Very high	97.2	Very high	49 Å²	49	26.7 Å²	26.7	34%	0.343	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-92.9	-15.3	-178.5	72.7	0	0	0	0	114.3	K27 E128 V129 Q133	K27-S131 WeakPolarHBondContact CD-OG 3.48Å; E128-S131 PolarHBondContact O-N 2.81Å; E128-S131 PolarHBondContact O-OG 3.02Å; V129-S131 PolarHBondContact O-N 2.94Å; V129-S131 VanDerWaalsContact O-N 3.16Å; S131-Q133 PolarHBondContact O-NE2 2.91Å
132	C	97	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.128	C	C	.	.			trans	-95.1	151.1	-173.1	-61.1	0	0	0	0	112.6	K27 L29 E128 V129 K160	K27-C132 HydrophobicContact CB-CB 4.33Å; K27-C132 CarbonylContact O-C 3.54Å; K27-C132 WeakPolarHBondContact O-CA 3.38Å; L29-C132 HydrophobicContact CB-CB 4.01Å; E128-C132 PolarHBondContact O-SG 2.74Å; V129-C132 PolarHBondContact O-N 3.5Å; V129-C132 VanDerWaalsContact O-N 3.12Å; C132-K160 PolarHBondContact O-NZ 3.41Å
133	Q	95.5	Very high	96.5	Very high	71 Å²	71	28.9 Å²	28.9	33%	0.332	13%	0.129	S	C	.	.	S	Bend	trans	-100.1	-29.7	178.8	-67.8	64.2	45.4	0	0	111.8	M26 K27 S131	M26-Q133 HydrophobicContact CE-CB 3.99Å; M26-Q133 HydrophobicContact CE-CG 4.39Å; M26-Q133 HydrophobicContact CG-CB 4Å; M26-Q133 HydrophobicContact CG-CG 4.31Å; M26-Q133 HydrophobicContact SD-CB 4.38Å; K27-Q133 PolarHBondContact O-N 3.08Å; K27-Q133 PolarHBondContact O-OE1 2.69Å; K27-Q133 VanDerWaalsContact O-OE1 3.1Å; S131-Q133 PolarHBondContact O-NE2 2.91Å
134	K	97.4	Very high	96.3	Very high	40 Å²	40	27.5 Å²	27.5	17%	0.174	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.3	176.4	-42.7	-168.9	178.3	-141.3	0	111.3	M26 I28 L29 E164 L166	M26-K134 HydrophobicContact SD-CD 4.28Å; M26-K134 HydrophobicContact SD-CG 4.21Å; I28-K134 HydrophobicContact CD1-CB 4.47Å; I28-K134 HydrophobicContact CD1-CD 4.13Å; I28-K134 HydrophobicContact CD1-CG 4.47Å; I28-K134 HydrophobicContact CG1-CB 4.16Å; I28-K134 HydrophobicContact CG1-CG 4.35Å; I28-K134 HydrophobicContact CG2-CB 4.16Å; L29-K134 PolarHBondContact N-O 3.29Å; K134-E164 CarbonylContact C-O 3.58Å; K134-E164 WeakPolarHBondContact CA-O 3.3Å; K134-E164 HydrophobicContact CB-CB 4.27Å; K134-E164 HydrophobicContact CD-CG 4.49Å; K134-E164 WeakPolarHBondContact CD-OE1 3.47Å; K134-E164 WeakPolarHBondContact CD-OE2 3.43Å; K134-E164 WeakPolarHBondContact CE-OE1 3.46Å; K134-E164 WeakPolarHBondContact CE-OE2 3.1Å; K134-E164 HydrophobicContact CG-CB 4.09Å; K134-E164 HydrophobicContact CG-CG 4.49Å; K134-E164 IonicContact NZ-OE1 2.73Å; K134-E164 PolarHBondContact NZ-OE1 3.05Å; K134-E164 IonicContact NZ-OE2 3.77Å; K134-E164 PolarHBondContact NZ-OE2 3.13Å; K134-L166 HydrophobicContact CD-CD1 4.31Å
135	L	98.4	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.7	170.1	166.9	58.8	0	0	0	109.2	L29 V31 I137 V152 I153 C156 I163 E164 I165 L166	L29-L135 HydrophobicContact CB-CD1 4.15Å; L29-L135 HydrophobicContact CD2-CD1 4.13Å; L29-L135 HydrophobicContact CG-CD1 3.94Å; L29-L135 CarbonylContact O-C 3.55Å; L29-L135 VanDerWaalsContact O-CA 3.3Å; L29-L135 WeakPolarHBondContact O-CA 3.34Å; V31-L135 HydrophobicContact CG2-CD1 3.73Å; L135-I137 HydrophobicContact CD1-CD1 4.05Å; L135-I137 HydrophobicContact CD2-CD1 4.21Å; L135-I137 HydrophobicContact CG-CD1 4.05Å; L135-V152 HydrophobicContact CD1-CG1 4.43Å; L135-V152 HydrophobicContact CD2-CG1 4.28Å; L135-I153 HydrophobicContact CD2-CG1 4.29Å; L135-C156 HydrophobicContact CD2-CB 3.72Å; L135-I163 HydrophobicContact CB-CD1 3.84Å; L135-I163 HydrophobicContact CB-CG1 4.32Å; L135-E164 PolarHBondContact N-O 2.95Å; L135-I165 HydrophobicContact CB-CD1 3.9Å; L135-I165 HydrophobicContact CD2-CD1 3.78Å; L135-I165 HydrophobicContact CG-CD1 4.13Å; L135-L166 PolarHBondContact O-N 3.13Å
136	I	98.4	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.1	172.4	-55	173.8	0	0	0	109.6	I28 L29 N30 V31 M76 W138 L166 A168 L185	I28-I136 HydrophobicContact CG2-CD1 3.68Å; I28-I136 HydrophobicContact CG2-CG1 3.74Å; L29-I136 PolarHBondContact O-N 3.46Å; N30-I136 WeakPolarHBondContact CA-O 3.39Å; V31-I136 PolarHBondContact N-O 3.46Å; M76-I136 HydrophobicContact CE-CD1 4.32Å; I136-W138 VanDerWaalsContact CG2-NE1 3.33Å; I136-L166 CarbonylContact C-O 3.57Å; I136-L166 WeakPolarHBondContact CA-O 3.33Å; I136-L166 HydrophobicContact CG1-CB 4.15Å; I136-A168 HydrophobicContact CG2-CB 4.06Å; I136-L185 HydrophobicContact CD1-CD1 3.74Å; I136-L185 HydrophobicContact CD1-CD2 4.34Å; I136-L185 HydrophobicContact CG1-CD1 4.37Å; I136-L185 HydrophobicContact CG2-CD2 3.62Å
137	I	98.6	Very high	96	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.6	175	-60.3	-55.5	0	0	0	110.5	L135 T139 V152 I153 L166 R167 A168	L135-I137 HydrophobicContact CD1-CD1 4.05Å; L135-I137 HydrophobicContact CD2-CD1 4.21Å; L135-I137 HydrophobicContact CG-CD1 4.05Å; I137-T139 HydrophobicContact CG2-CG2 4.21Å; I137-T139 WeakPolarHBondContact CG2-OG1 3.45Å; I137-V152 HydrophobicContact CD1-CB 4.05Å; I137-V152 HydrophobicContact CD1-CG1 3.7Å; I137-I153 HydrophobicContact CD1-CG1 4.09Å; I137-I153 HydrophobicContact CG1-CD1 4.05Å; I137-I153 HydrophobicContact CG1-CG1 4.12Å; I137-L166 PolarHBondContact N-O 2.82Å; I137-R167 PolarHBondContact O-NH1 2.73Å; I137-A168 PolarHBondContact O-N 3.23Å
138	W	98.1	Very high	96	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	26	-178.4	-73	94	0	0	0	112	N30 V31 A32 I41 L45 M78 I136 A168 F170 V178 A181 V182	N30-W138 PolarHBondContact OD1-NE1 3.4Å; V31-W138 CarbonylContact O-C 3.48Å; V31-W138 WeakPolarHBondContact O-CA 3.3Å; V31-W138 PolarHBondContact O-N 2.71Å; A32-W138 VanDerWaalsContact CA-O 3.32Å; A32-W138 WeakPolarHBondContact CA-O 3.35Å; A32-W138 HydrophobicContact CB-CB 4Å; A32-W138 WeakPolarHBondContact CB-O 3.39Å; I41-W138 HydrophobicContact CD1-CB 4.34Å; I41-W138 HydrophobicContact CD1-CD2 4.33Å; I41-W138 HydrophobicContact CD1-CE3 3.78Å; I41-W138 HydrophobicContact CD1-CZ3 4.44Å; I41-W138 HydrophobicContact CG1-CE3 4.43Å; I41-W138 HydrophobicContact CG2-CD2 4.19Å; I41-W138 HydrophobicContact CG2-CE3 3.96Å; I41-W138 HydrophobicContact CG2-CH2 4.1Å; I41-W138 HydrophobicContact CG2-CZ2 4.31Å; I41-W138 HydrophobicContact CG2-CZ3 3.92Å; L45-W138 HydrophobicContact CD1-CH2 4.29Å; L45-W138 HydrophobicContact CD1-CZ2 4.05Å; M78-W138 HydrophobicContact CE-CD2 4.2Å; M78-W138 HydrophobicContact CE-CG 3.97Å; I136-W138 VanDerWaalsContact CG2-NE1 3.33Å; W138-A168 HydrophobicContact CD2-CB 3.5Å; W138-A168 VanDerWaalsContact CD2-CB 3.5Å; W138-A168 HydrophobicContact CE3-CB 3.52Å; W138-A168 HydrophobicContact CG-CB 4.17Å; W138-A168 HydrophobicContact CH2-CB 3.82Å; W138-A168 HydrophobicContact CZ2-CB 3.79Å; W138-A168 HydrophobicContact CZ3-CB 3.69Å; W138-F170 AromaticContact CE3-CD1 3.91Å; W138-F170 HydrophobicContact CE3-CD1 3.91Å; W138-F170 AromaticContact CE3-CE1 3.71Å; W138-F170 HydrophobicContact CE3-CE1 3.71Å; W138-F170 HydrophobicContact CE3-CZ 4.34Å; W138-F170 HydrophobicContact CZ3-CD1 4.13Å; W138-F170 HydrophobicContact CZ3-CE1 4.38Å; W138-V178 HydrophobicContact CH2-CG1 4.06Å; W138-V178 HydrophobicContact CZ3-CG1 4.21Å; W138-A181 HydrophobicContact CH2-CB 4.16Å; W138-A181 HydrophobicContact CZ3-CB 4.14Å; W138-V182 HydrophobicContact CH2-CG2 3.77Å; W138-V182 HydrophobicContact CZ2-CG2 3.69Å
139	T	97.2	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-62.2	164.7	168.9	46	0	0	0	0	110.9	E33 I137 G145 I148 R167 F170	E33-T139 HydrophobicContact CB-CG2 4.12Å; I137-T139 HydrophobicContact CG2-CG2 4.21Å; I137-T139 WeakPolarHBondContact CG2-OG1 3.45Å; T139-G145 WeakPolarHBondContact CB-O 3.35Å; T139-G145 PolarHBondContact OG1-O 3.31Å; T139-I148 HydrophobicContact CG2-CB 4.08Å; T139-I148 HydrophobicContact CG2-CG2 3.74Å; T139-R167 PolarHBondContact O-NH1 2.85Å; T139-R167 PolarHBondContact O-NH2 2.76Å; T139-R167 PolarHBondContact OG1-NH1 2.61Å; T139-R167 PolarHBondContact OG1-NH2 3.44Å; T139-F170 WeakPolarHBondContact O-CE1 3.42Å; T139-F170 WeakPolarHBondContact O-CZ 3.5Å
140	D	93.2	Very high	96	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	10%	0.104	C	C	.	.			trans	-62.8	160	174.3	-73.5	-30.4	0	0	0	110.4	E33 D142 G145 R167 Y347 Y354	E33-D140 PolarHBondContact OE2-N 2.93Å; D140-D142 PolarHBondContact O-N 2.91Å; D140-G145 WeakPolarHBondContact O-CA 3.34Å; D140-R167 PolarHBondContact O-NH2 2.78Å; D140-Y347 VanDerWaalsContact OD1-CE1 3.31Å; D140-Y347 WeakPolarHBondContact OD1-CE1 3.41Å; D140-Y347 PolarHBondContact OD1-OH 3.31Å; D140-Y354 HydrophobicContact CB-CE2 3.59Å; D140-Y354 WeakPolarHBondContact CB-OH 3.47Å; D140-Y354 WeakPolarHBondContact OD2-CE2 3.27Å
141	C	92.9	Very high	96	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.014	8%	0.078	C	C	.	.	S	Bend	trans	-98.6	26	-162	-76	0	0	0	0	115	R169 F170 H405	C141-R169 PolarHBondContact O-NH1 2.96Å; C141-R169 PolarHBondContact O-NH2 3.26Å; C141-F170 VanDerWaalsContact CB-O 3.32Å; C141-F170 WeakPolarHBondContact CB-O 3.21Å; C141-F170 PolarHBondContact SG-N 2.85Å; C141-F170 VanDerWaalsContact SG-N 3.37Å; C141-F170 PolarHBondContact SG-O 3.5Å; C141-H405 WeakPolarHBondContact CA-NE2 3.43Å; C141-H405 WeakPolarHBondContact CB-CE1 3.29Å; C141-H405 PolarHBondContact O-NE2 3.32Å
142	D	90.8	Very high	96.2	Very high	36 Å²	36	13.2 Å²	13.2	19%	0.193	6%	0.062	C	C	.	.	S	Bend	trans	-94.3	-168.4	169.8	73.5	-5.9	0	0	0	112.3	D140 E144 G145 E146 Y354 H405	D140-D142 PolarHBondContact O-N 2.91Å; D142-E144 PolarHBondContact OD1-N 3.31Å; D142-G145 PolarHBondContact OD1-N 3.14Å; D142-E146 WeakPolarHBondContact O-CG 3.44Å; D142-E146 PolarHBondContact O-N 3.25Å; D142-Y354 HydrophobicContact CB-CE1 4.13Å; D142-Y354 PolarHBondContact OD2-OH 3.25Å; D142-H405 PolarHBondContact N-NE2 3.31Å
143	R	91.4	Very high	96.2	Very high	44 Å²	44	13.2 Å²	13.2	17%	0.166	6%	0.062	C	C	.	.	H	α-helix	trans	-71.9	-41.3	-178.2	-60.1	-169.4	-168	156.7	17.6	113	G145 E146 N147 A192 V196 D548 C609	R143-G145 VanDerWaalsContact C-N 3.33Å; R143-E146 PolarHBondContact O-N 2.84Å; R143-N147 PolarHBondContact O-N 2.69Å; R143-N147 VanDerWaalsContact O-N 3.09Å; R143-A192 HydrophobicContact CG-CB 4.49Å; R143-V196 HydrophobicContact CB-CG2 3.75Å; R143-D548 IonicContact CZ-OD1 3.31Å; R143-D548 IonicContact CZ-OD2 2.71Å; R143-D548 IonicContact NE-OD1 2.76Å; R143-D548 PolarHBondContact NE-OD1 2.88Å; R143-D548 VanDerWaalsContact NE-OD1 3.15Å; R143-D548 IonicContact NE-OD2 3.26Å; R143-D548 IonicContact NH1-OD1 2.88Å; R143-D548 IonicContact NH1-OD2 2.61Å; R143-D548 PolarHBondContact NH1-OD2 2.76Å; R143-D548 IonicContact NH2-OD1 3.49Å; R143-D548 PolarHBondContact NH2-OD1 3.37Å; R143-D548 IonicContact NH2-OD2 2.68Å; R143-D548 PolarHBondContact NH2-OD2 2.91Å; R143-C609 PolarHBondContact NE-SG 2.59Å
144	E	92.2	Very high	96.3	Very high	51 Å²	51	13.9 Å²	13.9	24%	0.238	7%	0.068	C	C	.	.	H	α-helix	trans	-65.8	-41.2	179.8	-55	-69	131.3	0	0	109.5	H84 D142 E146 N147 I148 V196 R199	H84-E144 IonicContact NE2-OE2 3.77Å; H84-E144 PolarHBondContact NE2-OE2 3.49Å; D142-E144 PolarHBondContact OD1-N 3.31Å; E144-E146 PolarHBondContact O-N 3.23Å; E144-N147 WeakPolarHBondContact O-CB 3.23Å; E144-N147 PolarHBondContact O-N 2.75Å; E144-N147 VanDerWaalsContact O-N 3.09Å; E144-I148 VanDerWaalsContact O-CG1 3.26Å; E144-I148 WeakPolarHBondContact O-CG1 3.4Å; E144-I148 PolarHBondContact O-N 3.09Å; E144-V196 WeakPolarHBondContact OE1-CG1 3.49Å; E144-V196 WeakPolarHBondContact OE1-CG2 3.48Å; E144-R199 IonicContact OE1-CZ 3.72Å; E144-R199 IonicContact OE1-NE 3.88Å; E144-R199 PolarHBondContact OE1-NE 3.07Å; E144-R199 IonicContact OE1-NH2 2.68Å; E144-R199 PolarHBondContact OE1-NH2 3.42Å; E144-R199 IonicContact OE2-CZ 3.14Å; E144-R199 IonicContact OE2-NH2 3.19Å; E144-R199 PolarHBondContact OE2-NH2 3.29Å
145	G	94.5	Very high	96.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62	-34.5	173.4	0	0	0	0	0	114.7	T139 D140 D142 R143 G149	T139-G145 WeakPolarHBondContact CB-O 3.35Å; T139-G145 PolarHBondContact OG1-O 3.31Å; D140-G145 WeakPolarHBondContact O-CA 3.34Å; D142-G145 PolarHBondContact OD1-N 3.14Å; R143-G145 VanDerWaalsContact C-N 3.33Å; G145-G149 PolarHBondContact O-N 2.73Å
146	E	96.3	Very high	96.3	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.019	6%	0.061	C	C	.	.	H	α-helix	trans	-66.7	-41.4	168.9	-66.9	-60.5	135.1	0	0	111.7	D142 R143 E144 G149 V150 R167 R169 D189 A192	D142-E146 WeakPolarHBondContact O-CG 3.44Å; D142-E146 PolarHBondContact O-N 3.25Å; R143-E146 PolarHBondContact O-N 2.84Å; E144-E146 PolarHBondContact O-N 3.23Å; E146-G149 CarbonylContact O-C 3.55Å; E146-G149 WeakPolarHBondContact O-CA 3.01Å; E146-G149 PolarHBondContact O-N 2.72Å; E146-G149 VanDerWaalsContact O-N 3.11Å; E146-V150 PolarHBondContact O-N 3.39Å; E146-R167 IonicContact OE1-CZ 3.26Å; E146-R167 IonicContact OE1-NE 2.77Å; E146-R167 PolarHBondContact OE1-NE 3.12Å; E146-R167 IonicContact OE1-NH2 2.87Å; E146-R167 PolarHBondContact OE1-NH2 2.69Å; E146-R167 IonicContact OE2-NE 2.73Å; E146-R169 IonicContact OE1-CZ 3Å; E146-R169 IonicContact OE1-NH1 3.97Å; E146-R169 PolarHBondContact OE1-NH1 2.84Å; E146-D189 HydrophobicContact CG-CB 4.18Å; E146-D189 PolarHBondContact OE2-N 2.73Å; E146-A192 HydrophobicContact CB-CB 4.22Å; E146-A192 HydrophobicContact CG-CB 4.26Å
147	N	97.6	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.3	-45.8	177	-168.4	-84.9	0	0	0	112.2	H84 K112 R143 E144 G149 V150 E151 S193 V196 D197	H84-N147 PolarHBondContact CE1-OD1 3Å; H84-N147 VanDerWaalsContact CE1-OD1 3.29Å; K112-N147 PolarHBondContact NZ-OD1 2.93Å; R143-N147 PolarHBondContact O-N 2.69Å; R143-N147 VanDerWaalsContact O-N 3.09Å; E144-N147 WeakPolarHBondContact O-CB 3.23Å; E144-N147 PolarHBondContact O-N 2.75Å; E144-N147 VanDerWaalsContact O-N 3.09Å; N147-G149 PolarHBondContact O-N 2.83Å; N147-V150 WeakPolarHBondContact O-CA 3.32Å; N147-V150 PolarHBondContact O-N 2.84Å; N147-E151 PolarHBondContact O-N 2.81Å; N147-S193 PolarHBondContact ND2-O 2.93Å; N147-S193 PolarHBondContact ND2-OG 2.86Å; N147-V196 HydrophobicContact CB-CB 3.84Å; N147-V196 HydrophobicContact CB-CG1 3.77Å; N147-V196 HydrophobicContact CB-CG2 4.25Å; N147-D197 PolarHBondContact ND2-OD1 2.73Å; N147-D197 PolarHBondContact ND2-OD2 2.83Å
148	I	97.7	Very high	96.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-36.1	172.6	-61.7	164.9	0	0	0	110.4	E33 V81 H84 T139 E144 E151 V152	E33-I148 HydrophobicContact CG-CD1 3.98Å; V81-I148 HydrophobicContact CG2-CG2 3.62Å; H84-I148 HydrophobicContact CB-CG1 4.44Å; T139-I148 HydrophobicContact CG2-CB 4.08Å; T139-I148 HydrophobicContact CG2-CG2 3.74Å; E144-I148 VanDerWaalsContact O-CG1 3.26Å; E144-I148 WeakPolarHBondContact O-CG1 3.4Å; E144-I148 PolarHBondContact O-N 3.09Å; I148-E151 PolarHBondContact O-N 3.22Å; I148-V152 WeakPolarHBondContact O-CG2 3.31Å; I148-V152 PolarHBondContact O-N 2.92Å; I148-V152 VanDerWaalsContact O-N 3.08Å
149	G	98.2	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.2	-45.7	171.2	0	0	0	0	0	112.8	G145 E146 N147 V152 I153	G145-G149 PolarHBondContact O-N 2.73Å; E146-G149 CarbonylContact O-C 3.55Å; E146-G149 WeakPolarHBondContact O-CA 3.01Å; E146-G149 PolarHBondContact O-N 2.72Å; E146-G149 VanDerWaalsContact O-N 3.11Å; N147-G149 PolarHBondContact O-N 2.83Å; G149-V152 PolarHBondContact O-N 3.03Å; G149-I153 WeakPolarHBondContact O-CD1 3.49Å; G149-I153 WeakPolarHBondContact O-CG1 3.45Å; G149-I153 PolarHBondContact O-N 2.84Å
150	V	98	Very high	96.2	Very high	17 Å²	17	27 Å²	27	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-66.4	-40.7	176.1	177.1	0	0	0	0	112	E146 N147 V152 I153 D154 Y190 S193	E146-V150 PolarHBondContact O-N 3.39Å; N147-V150 WeakPolarHBondContact O-CA 3.32Å; N147-V150 PolarHBondContact O-N 2.84Å; V150-V152 VanDerWaalsContact C-N 3.29Å; V150-V152 PolarHBondContact O-N 2.97Å; V150-I153 WeakPolarHBondContact O-CB 3.29Å; V150-I153 PolarHBondContact O-N 3.08Å; V150-D154 PolarHBondContact O-N 3.04Å; V150-Y190 HydrophobicContact CG1-CE1 4.39Å; V150-Y190 HydrophobicContact CG2-CD1 3.76Å; V150-Y190 HydrophobicContact CG2-CE1 3.78Å; V150-S193 WeakPolarHBondContact CG2-OG 2.78Å
151	E	97.9	Very high	96.4	Very high	5 Å²	5	31 Å²	31	2%	0.023	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-40.7	174	-66	-177.8	175.1	0	0	112.6	H84 L85 T86 K112 N147 I148 V155	H84-E151 WeakPolarHBondContact CA-OE2 3.27Å; H84-E151 IonicContact CE1-OE1 2.68Å; H84-E151 IonicContact CG-OE1 3.06Å; H84-E151 IonicContact ND1-OE1 3.89Å; H84-E151 PolarHBondContact ND1-OE1 2.88Å; H84-E151 IonicContact ND1-OE2 2.67Å; L85-E151 WeakPolarHBondContact CA-OE2 3.4Å; L85-E151 HydrophobicContact CB-CB 4.5Å; L85-E151 PolarHBondContact N-OE2 2.84Å; T86-E151 HydrophobicContact CG2-CB 4.42Å; T86-E151 HydrophobicContact CG2-CG 4.22Å; T86-E151 PolarHBondContact N-OE2 2.96Å; T86-E151 PolarHBondContact OG1-OE1 3.22Å; K112-E151 WeakPolarHBondContact CE-OE1 3.28Å; K112-E151 IonicContact NZ-OE1 3.65Å; K112-E151 PolarHBondContact NZ-OE1 2.9Å; N147-E151 PolarHBondContact O-N 2.81Å; I148-E151 PolarHBondContact O-N 3.22Å; E151-V155 WeakPolarHBondContact O-CG2 3.33Å; E151-V155 PolarHBondContact O-N 2.94Å; E151-V155 VanDerWaalsContact O-N 3.17Å
152	V	98.4	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-41.1	174.4	170.3	0	0	0	0	111.3	V31 V81 L85 L125 L135 I137 I148 G149 V150 C156	V31-V152 HydrophobicContact CB-CG1 3.9Å; V31-V152 HydrophobicContact CG1-CG1 3.89Å; V31-V152 HydrophobicContact CG1-CG2 3.96Å; V31-V152 HydrophobicContact CG2-CG1 3.83Å; V81-V152 HydrophobicContact CG1-CG2 3.52Å; L85-V152 HydrophobicContact CD1-CG2 3.95Å; L125-V152 HydrophobicContact CD1-CG1 4.33Å; L125-V152 HydrophobicContact CD1-CG2 4.26Å; L135-V152 HydrophobicContact CD1-CG1 4.43Å; L135-V152 HydrophobicContact CD2-CG1 4.28Å; I137-V152 HydrophobicContact CD1-CB 4.05Å; I137-V152 HydrophobicContact CD1-CG1 3.7Å; I148-V152 WeakPolarHBondContact O-CG2 3.31Å; I148-V152 PolarHBondContact O-N 2.92Å; I148-V152 VanDerWaalsContact O-N 3.08Å; G149-V152 PolarHBondContact O-N 3.03Å; V150-V152 VanDerWaalsContact C-N 3.29Å; V150-V152 PolarHBondContact O-N 2.97Å; V152-C156 WeakPolarHBondContact O-CB 3.46Å; V152-C156 PolarHBondContact O-N 3.04Å; V152-C156 PolarHBondContact O-SG 2.9Å
153	I	98.4	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-44.9	177.2	-71.8	158.7	0	0	0	110.8	L135 I137 G149 V150 C156 R157 I165 P188	L135-I153 HydrophobicContact CD2-CG1 4.29Å; I137-I153 HydrophobicContact CD1-CG1 4.09Å; I137-I153 HydrophobicContact CG1-CD1 4.05Å; I137-I153 HydrophobicContact CG1-CG1 4.12Å; G149-I153 WeakPolarHBondContact O-CD1 3.49Å; G149-I153 WeakPolarHBondContact O-CG1 3.45Å; G149-I153 PolarHBondContact O-N 2.84Å; V150-I153 WeakPolarHBondContact O-CB 3.29Å; V150-I153 PolarHBondContact O-N 3.08Å; I153-C156 PolarHBondContact O-N 3.15Å; I153-R157 HydrophobicContact CG2-CG 4.26Å; I153-R157 WeakPolarHBondContact O-CB 3.26Å; I153-R157 WeakPolarHBondContact O-CG 3.35Å; I153-R157 PolarHBondContact O-N 3.05Å; I153-I165 HydrophobicContact CD1-CG2 3.56Å; I153-I165 HydrophobicContact CG1-CD1 4.06Å; I153-I165 HydrophobicContact CG1-CG1 4.39Å; I153-I165 HydrophobicContact CG1-CG2 3.87Å; I153-I165 HydrophobicContact CG2-CD1 4.1Å; I153-I165 HydrophobicContact CG2-CG1 4.1Å; I153-P188 HydrophobicContact CD1-CB 4.24Å; I153-P188 HydrophobicContact CD1-CG 3.62Å
154	D	97.4	Very high	97.2	Very high	85 Å²	85	39.1 Å²	39.1	46%	0.455	20%	0.197	S	C	.	.	H	α-helix	trans	-66.6	-47	-178.4	-70.6	-17.5	0	0	0	111.5	V150 C156 R157 E158	V150-D154 PolarHBondContact O-N 3.04Å; D154-C156 PolarHBondContact O-N 3.17Å; D154-R157 PolarHBondContact O-N 2.85Å; D154-R157 VanDerWaalsContact O-N 3.08Å; D154-E158 PolarHBondContact O-N 2.91Å
155	V	97.5	Very high	97.5	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-32.5	172.9	166.6	0	0	0	0	112.4	L85 V114 K122 L125 Q126 E151	L85-V155 HydrophobicContact CD1-CG2 4.36Å; V114-V155 HydrophobicContact CG2-CG2 4.46Å; K122-V155 HydrophobicContact CB-CG1 4.48Å; K122-V155 HydrophobicContact CG-CG1 3.63Å; K122-V155 HydrophobicContact CG-CG2 4.11Å; L125-V155 HydrophobicContact CB-CG1 4Å; L125-V155 HydrophobicContact CD1-CG1 4.13Å; Q126-V155 HydrophobicContact CG-CG1 4.09Å; E151-V155 WeakPolarHBondContact O-CG2 3.33Å; E151-V155 PolarHBondContact O-N 2.94Å; E151-V155 VanDerWaalsContact O-N 3.17Å
156	C	98.2	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-77.9	-37.7	175.4	-71.7	0	0	0	0	112.5	V129 L135 V152 I153 D154 I159 K160	V129-C156 HydrophobicContact CG2-CB 3.9Å; L135-C156 HydrophobicContact CD2-CB 3.72Å; V152-C156 WeakPolarHBondContact O-CB 3.46Å; V152-C156 PolarHBondContact O-N 3.04Å; V152-C156 PolarHBondContact O-SG 2.9Å; I153-C156 PolarHBondContact O-N 3.15Å; D154-C156 PolarHBondContact O-N 3.17Å; C156-I159 PolarHBondContact O-N 2.84Å; C156-K160 PolarHBondContact O-N 2.93Å
157	R	97.9	Very high	97.7	Very high	87 Å²	87	38.8 Å²	38.8	33%	0.328	20%	0.196	S	C	.	.	H	α-helix	trans	-70.6	-27.3	177.8	-77.7	178.4	172.3	158.1	-1.9	113.2	I153 D154 I159 K160 P161 I163 Y190	I153-R157 HydrophobicContact CG2-CG 4.26Å; I153-R157 WeakPolarHBondContact O-CB 3.26Å; I153-R157 WeakPolarHBondContact O-CG 3.35Å; I153-R157 PolarHBondContact O-N 3.05Å; D154-R157 PolarHBondContact O-N 2.85Å; D154-R157 VanDerWaalsContact O-N 3.08Å; R157-I159 PolarHBondContact O-N 3.46Å; R157-I159 VanDerWaalsContact O-N 3.13Å; R157-K160 CarbonylContact O-C 3.15Å; R157-K160 PolarHBondContact O-N 2.66Å; R157-P161 WeakPolarHBondContact O-CA 3.47Å; R157-P161 WeakPolarHBondContact O-CD 3.25Å; R157-P161 WeakPolarHBondContact O-CG 3.44Å; R157-I163 HydrophobicContact CG-CG2 4.29Å; R157-Y190 PolarHBondContact NH1-OH 3.04Å
158	E	96.9	Very high	97.7	Very high	106 Å²	106	38.8 Å²	38.8	50%	0.495	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.3	166.8	-75.4	-179.5	162.8	0	0	112.6	K122 Q126 D154	K122-E158 WeakPolarHBondContact CE-OE2 3.43Å; K122-E158 IonicContact NZ-OE1 2.81Å; K122-E158 PolarHBondContact NZ-OE1 2.98Å; K122-E158 IonicContact NZ-OE2 2.66Å; K122-E158 PolarHBondContact NZ-OE2 3.24Å; Q126-E158 PolarHBondContact NE2-OE2 2.9Å; D154-E158 PolarHBondContact O-N 2.91Å
159	I	98	Very high	97.5	Very high	55 Å²	55	42.7 Å²	42.7	28%	0.282	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-31.8	-176.9	-59.4	-59.5	0	0	0	112.2	Q126 V129 R130 C156 R157	Q126-I159 HydrophobicContact CB-CD1 4.24Å; Q126-I159 HydrophobicContact CB-CG1 3.77Å; Q126-I159 HydrophobicContact CG-CD1 4.09Å; Q126-I159 HydrophobicContact CG-CG1 3.6Å; V129-I159 HydrophobicContact CG1-CB 3.85Å; V129-I159 HydrophobicContact CG1-CG1 4.39Å; V129-I159 HydrophobicContact CG1-CG2 3.78Å; R130-I159 HydrophobicContact CG-CG2 3.48Å; R130-I159 VanDerWaalsContact CG-CG2 3.48Å; C156-I159 PolarHBondContact O-N 2.84Å; R157-I159 PolarHBondContact O-N 3.46Å; R157-I159 VanDerWaalsContact O-N 3.13Å
160	K	97.2	Very high	97.2	Very high	61 Å²	61	43.1 Å²	43.1	27%	0.265	21%	0.213	S	C	.	.			trans	-145.5	83.5	-178.2	-169	170.8	-179.4	166.9	0	110.6	C132 C156 R157 N162 I163	C132-K160 PolarHBondContact O-NZ 3.41Å; C156-K160 PolarHBondContact O-N 2.93Å; R157-K160 CarbonylContact O-C 3.15Å; R157-K160 PolarHBondContact O-N 2.66Å; K160-N162 VanDerWaalsContact C-N 3.25Å; K160-N162 PolarHBondContact O-N 2.84Å; K160-I163 HydrophobicContact CB-CB 4.36Å; K160-I163 HydrophobicContact CD-CB 4.19Å; K160-I163 HydrophobicContact CG-CB 4.06Å; K160-I163 VanDerWaalsContact O-CG2 3.24Å; K160-I163 WeakPolarHBondContact O-CG2 3.4Å; K160-I163 PolarHBondContact O-N 3.34Å
161	P	97	Very high	96.8	Very high	88 Å²	88	43.5 Å²	43.5	57%	0.571	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-39.4	-174.5	-28.6	34.8	0	0	0	113.8	R157 I163	R157-P161 WeakPolarHBondContact O-CA 3.47Å; R157-P161 WeakPolarHBondContact O-CD 3.25Å; R157-P161 WeakPolarHBondContact O-CG 3.44Å; P161-I163 VanDerWaalsContact C-N 3.32Å; P161-I163 PolarHBondContact O-N 3.2Å
162	N	96.6	Very high	96.3	Very high	160 Å²	160	44.1 Å²	44.1	86%	0.856	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	31.2	-176.2	-57.2	-10.6	0	0	0	113	K160	K160-N162 VanDerWaalsContact C-N 3.25Å; K160-N162 PolarHBondContact O-N 2.84Å
163	I	97.3	Very high	95.9	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.046	22%	0.222	C	C	.	.			trans	-75.2	137.2	172.6	-171.8	165.4	0	0	0	110.9	V129 L135 R157 K160 P161 I165	V129-I163 HydrophobicContact CG2-CD1 3.46Å; V129-I163 VanDerWaalsContact CG2-CD1 3.46Å; L135-I163 HydrophobicContact CB-CD1 3.84Å; L135-I163 HydrophobicContact CB-CG1 4.32Å; R157-I163 HydrophobicContact CG-CG2 4.29Å; K160-I163 HydrophobicContact CB-CB 4.36Å; K160-I163 HydrophobicContact CD-CB 4.19Å; K160-I163 HydrophobicContact CG-CB 4.06Å; K160-I163 VanDerWaalsContact O-CG2 3.24Å; K160-I163 WeakPolarHBondContact O-CG2 3.4Å; K160-I163 PolarHBondContact O-N 3.34Å; P161-I163 VanDerWaalsContact C-N 3.32Å; P161-I163 PolarHBondContact O-N 3.2Å; I163-I165 HydrophobicContact CG2-CD1 3.72Å; I163-I165 PolarHBondContact O-N 2.63Å
164	E	97.3	Very high	95.4	Very high	83 Å²	83	45.9 Å²	45.9	39%	0.388	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	123	174.4	-169.6	-173.1	146.2	0	0	109.8	K134 L135	K134-E164 CarbonylContact C-O 3.58Å; K134-E164 WeakPolarHBondContact CA-O 3.3Å; K134-E164 HydrophobicContact CB-CB 4.27Å; K134-E164 HydrophobicContact CD-CG 4.49Å; K134-E164 WeakPolarHBondContact CD-OE1 3.47Å; K134-E164 WeakPolarHBondContact CD-OE2 3.43Å; K134-E164 WeakPolarHBondContact CE-OE1 3.46Å; K134-E164 WeakPolarHBondContact CE-OE2 3.1Å; K134-E164 HydrophobicContact CG-CB 4.09Å; K134-E164 HydrophobicContact CG-CG 4.49Å; K134-E164 IonicContact NZ-OE1 2.73Å; K134-E164 PolarHBondContact NZ-OE1 3.05Å; K134-E164 IonicContact NZ-OE2 3.77Å; K134-E164 PolarHBondContact NZ-OE2 3.13Å; L135-E164 PolarHBondContact N-O 2.95Å
165	I	98.3	Very high	95	Very high	19 Å²	19	45.7 Å²	45.7	10%	0.097	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.3	-178.8	-58.9	-52.7	0	0	0	109.8	L135 I153 I163 P188	L135-I165 HydrophobicContact CB-CD1 3.9Å; L135-I165 HydrophobicContact CD2-CD1 3.78Å; L135-I165 HydrophobicContact CG-CD1 4.13Å; I153-I165 HydrophobicContact CD1-CG2 3.56Å; I153-I165 HydrophobicContact CG1-CD1 4.06Å; I153-I165 HydrophobicContact CG1-CG1 4.39Å; I153-I165 HydrophobicContact CG1-CG2 3.87Å; I153-I165 HydrophobicContact CG2-CD1 4.1Å; I153-I165 HydrophobicContact CG2-CG1 4.1Å; I163-I165 HydrophobicContact CG2-CD1 3.72Å; I163-I165 PolarHBondContact O-N 2.63Å; I165-P188 HydrophobicContact CG2-CG 3.57Å
166	L	98	Very high	94.6	Very high	30 Å²	30	47.9 Å²	47.9	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.8	174.7	-64.5	173.2	0	0	0	110.3	K134 L135 I136 I137 L185 T186	K134-L166 HydrophobicContact CD-CD1 4.31Å; L135-L166 PolarHBondContact O-N 3.13Å; I136-L166 CarbonylContact C-O 3.57Å; I136-L166 WeakPolarHBondContact CA-O 3.33Å; I136-L166 HydrophobicContact CG1-CB 4.15Å; I137-L166 PolarHBondContact N-O 2.82Å; L166-L185 HydrophobicContact CB-CB 4.43Å; L166-L185 HydrophobicContact CD1-CB 4.49Å; L166-L185 HydrophobicContact CD1-CD1 3.94Å; L166-T186 CarbonylContact C-O 3.52Å; L166-T186 WeakPolarHBondContact CA-O 3.47Å
167	R	97.8	Very high	94.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.4	-178	177.2	56.8	167.3	141.1	-16.6	109.7	I137 T139 D140 E146 R169 T186 P188	I137-R167 PolarHBondContact O-NH1 2.73Å; T139-R167 PolarHBondContact O-NH1 2.85Å; T139-R167 PolarHBondContact O-NH2 2.76Å; T139-R167 PolarHBondContact OG1-NH1 2.61Å; T139-R167 PolarHBondContact OG1-NH2 3.44Å; D140-R167 PolarHBondContact O-NH2 2.78Å; E146-R167 IonicContact OE1-CZ 3.26Å; E146-R167 IonicContact OE1-NE 2.77Å; E146-R167 PolarHBondContact OE1-NE 3.12Å; E146-R167 IonicContact OE1-NH2 2.87Å; E146-R167 PolarHBondContact OE1-NH2 2.69Å; E146-R167 IonicContact OE2-NE 2.73Å; R167-R169 HydrophobicContact CG-CG 4.13Å; R167-T186 HydrophobicContact CB-CG2 4.12Å; R167-T186 HydrophobicContact CG-CG2 4.28Å; R167-T186 PolarHBondContact N-O 3.46Å; R167-T186 PolarHBondContact O-N 3.32Å; R167-P188 HydrophobicContact CB-CG 4.29Å
168	A	97.5	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.			trans	-81.4	128.5	165.7	0	0	0	0	0	108.8	I136 I137 W138 F170 A181 L185	I136-A168 HydrophobicContact CG2-CB 4.06Å; I137-A168 PolarHBondContact O-N 3.23Å; W138-A168 HydrophobicContact CD2-CB 3.5Å; W138-A168 VanDerWaalsContact CD2-CB 3.5Å; W138-A168 HydrophobicContact CE3-CB 3.52Å; W138-A168 HydrophobicContact CG-CB 4.17Å; W138-A168 HydrophobicContact CH2-CB 3.82Å; W138-A168 HydrophobicContact CZ2-CB 3.79Å; W138-A168 HydrophobicContact CZ3-CB 3.69Å; A168-F170 HydrophobicContact CB-CD1 4.48Å; A168-A181 HydrophobicContact CB-CB 4.26Å; A168-L185 HydrophobicContact CB-CD2 3.93Å
169	R	94.8	Very high	93.8	Very high	86 Å²	86	41.7 Å²	41.7	33%	0.325	23%	0.227	S	C	.	.			trans	-112.7	122.8	175.9	-66.5	-69	-63.9	176.1	8.8	109.5	C141 E146 R167 A181 T186	C141-R169 PolarHBondContact O-NH1 2.96Å; C141-R169 PolarHBondContact O-NH2 3.26Å; E146-R169 IonicContact OE1-CZ 3Å; E146-R169 IonicContact OE1-NH1 3.97Å; E146-R169 PolarHBondContact OE1-NH1 2.84Å; R167-R169 HydrophobicContact CG-CG 4.13Å; R169-A181 WeakPolarHBondContact O-CB 3.38Å; R169-T186 HydrophobicContact CG-CG2 3.66Å
170	F	91.9	Very high	93.6	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.035	23%	0.233	C	C	.	.			trans	-152.4	153.1	-174.8	60.4	-77.5	0	0	0	110.2	I41 W138 T139 C141 A168 I173 A181 Y347 H405	I41-F170 HydrophobicContact CD1-CZ 4.36Å; W138-F170 AromaticContact CE3-CD1 3.91Å; W138-F170 HydrophobicContact CE3-CD1 3.91Å; W138-F170 AromaticContact CE3-CE1 3.71Å; W138-F170 HydrophobicContact CE3-CE1 3.71Å; W138-F170 HydrophobicContact CE3-CZ 4.34Å; W138-F170 HydrophobicContact CZ3-CD1 4.13Å; W138-F170 HydrophobicContact CZ3-CE1 4.38Å; T139-F170 WeakPolarHBondContact O-CE1 3.42Å; T139-F170 WeakPolarHBondContact O-CZ 3.5Å; C141-F170 VanDerWaalsContact CB-O 3.32Å; C141-F170 WeakPolarHBondContact CB-O 3.21Å; C141-F170 PolarHBondContact SG-N 2.85Å; C141-F170 VanDerWaalsContact SG-N 3.37Å; C141-F170 PolarHBondContact SG-O 3.5Å; A168-F170 HydrophobicContact CB-CD1 4.48Å; F170-I173 HydrophobicContact CE2-CG1 4.44Å; F170-A181 HydrophobicContact CB-CB 4.2Å; F170-Y347 WeakPolarHBondContact CE2-OH 3.35Å; F170-H405 PolarHBondContact O-CE1 3.07Å
171	S	89.2	Confident	93.5	Very high	25 Å²	25	41.5 Å²	41.5	18%	0.175	22%	0.222	C	C	.	.	S	Bend	trans	-121.7	3.1	-177.4	-40.5	0	0	0	0	113.2	Y354 A404 H405	S171-Y354 WeakPolarHBondContact O-CB 3.34Å; S171-Y354 PolarHBondContact O-N 3.09Å; S171-A404 PolarHBondContact OG-O 2.83Å; S171-H405 WeakPolarHBondContact CA-ND1 3.2Å; S171-H405 VanDerWaalsContact CB-ND1 3.27Å; S171-H405 WeakPolarHBondContact CB-ND1 3.47Å; S171-H405 PolarHBondContact OG-ND1 2.83Å
172	E	87.7	Confident	93.4	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.084	20%	0.196	C	C	.	.	S	Bend	trans	-162.4	148.3	-174.3	62.3	-178.2	-144.9	0	0	108.8	T174 A177 R180 L411	E172-T174 HydrophobicContact CB-CG2 4Å; E172-T174 HydrophobicContact CG-CG2 3.73Å; E172-T174 PolarHBondContact O-N 2.64Å; E172-T174 WeakPolarHBondContact OE1-CG2 3.39Å; E172-T174 PolarHBondContact OE1-OG1 3.29Å; E172-A177 HydrophobicContact CG-CB 3.29Å; E172-A177 WeakPolarHBondContact OE1-CB 3.24Å; E172-R180 IonicContact OE1-NH2 2.67Å; E172-L411 HydrophobicContact CB-CD1 3.77Å; E172-L411 HydrophobicContact CB-CD2 4.44Å; E172-L411 WeakPolarHBondContact OE2-CD2 3.35Å
173	I	88.4	Confident	93.2	Very high	13 Å²	13	35 Å²	35	7%	0.067	18%	0.182	C	C	.	.			trans	-96.3	66.9	176.2	-49.5	-178.5	0	0	0	108.8	A37 N40 I41 I44 F170 V178 Y347	A37-I173 HydrophobicContact CB-CD1 4.24Å; N40-I173 HydrophobicContact CB-CG2 4.01Å; I41-I173 HydrophobicContact CG1-CG2 4.2Å; I44-I173 HydrophobicContact CD1-CG2 3.92Å; F170-I173 HydrophobicContact CE2-CG1 4.44Å; I173-V178 HydrophobicContact CG2-CG2 4.47Å; I173-Y347 HydrophobicContact CD1-CE1 4.35Å; I173-Y347 HydrophobicContact CG1-CE2 4.04Å
174	T	87.6	Confident	93	Very high	24 Å²	24	43.5 Å²	43.5	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	-113.8	156.7	177.5	73.4	0	0	0	0	111.2	E172 A176 A177 V178 L411	E172-T174 HydrophobicContact CB-CG2 4Å; E172-T174 HydrophobicContact CG-CG2 3.73Å; E172-T174 PolarHBondContact O-N 2.64Å; E172-T174 WeakPolarHBondContact OE1-CG2 3.39Å; E172-T174 PolarHBondContact OE1-OG1 3.29Å; T174-A176 VanDerWaalsContact C-N 3.26Å; T174-A176 PolarHBondContact O-N 3.22Å; T174-A176 PolarHBondContact OG1-N 3.28Å; T174-A177 PolarHBondContact O-N 3.08Å; T174-A177 WeakPolarHBondContact OG1-CB 3.08Å; T174-A177 PolarHBondContact OG1-N 2.75Å; T174-V178 VanDerWaalsContact O-CB 3.27Å; T174-V178 WeakPolarHBondContact O-CB 3.33Å; T174-V178 VanDerWaalsContact O-CG2 3.31Å; T174-V178 WeakPolarHBondContact O-CG2 3.48Å; T174-V178 PolarHBondContact O-N 2.7Å; T174-L411 HydrophobicContact CG2-CD1 3.9Å; T174-L411 HydrophobicContact CG2-CD2 4.39Å
175	P	90	Very high	93	Very high	81 Å²	81	41.5 Å²	41.5	53%	0.526	21%	0.206	S	C	.	.	H	α-helix	trans	-54.3	-40.1	172.1	-27	35.7	0	0	0	113.7	I44 H179	I44-P175 HydrophobicContact CG1-CG 4.43Å; I44-P175 HydrophobicContact CG2-CB 4.27Å; P175-H179 WeakPolarHBondContact O-CB 3.31Å; P175-H179 PolarHBondContact O-CD2 3.36Å; P175-H179 PolarHBondContact O-N 3.36Å; P175-H179 VanDerWaalsContact O-N 3.13Å
176	A	88.6	Confident	92.9	Very high	53 Å²	53	43.7 Å²	43.7	44%	0.438	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-49.7	179.1	0	0	0	0	0	112.3	T174 R180	T174-A176 VanDerWaalsContact C-N 3.26Å; T174-A176 PolarHBondContact O-N 3.22Å; T174-A176 PolarHBondContact OG1-N 3.28Å; A176-R180 WeakPolarHBondContact O-CB 3.31Å; A176-R180 VanDerWaalsContact O-CG 3.24Å; A176-R180 WeakPolarHBondContact O-CG 3.49Å; A176-R180 PolarHBondContact O-N 3.05Å; A176-R180 VanDerWaalsContact O-N 3.08Å; A176-R180 PolarHBondContact O-NE 2.85Å
177	A	90.1	Very high	92.8	Very high	6 Å²	6	48.1 Å²	48.1	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-70	-42.3	-179.4	0	0	0	0	0	113	E172 T174 H179 R180 A181	E172-A177 HydrophobicContact CG-CB 3.29Å; E172-A177 WeakPolarHBondContact OE1-CB 3.24Å; T174-A177 PolarHBondContact O-N 3.08Å; T174-A177 WeakPolarHBondContact OG1-CB 3.08Å; T174-A177 PolarHBondContact OG1-N 2.75Å; A177-H179 PolarHBondContact O-N 3.13Å; A177-R180 PolarHBondContact O-N 2.92Å; A177-A181 WeakPolarHBondContact O-CB 3.48Å; A177-A181 PolarHBondContact O-N 3.26Å
178	V	93.1	Very high	92.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-37.2	-177.8	169.4	0	0	0	0	111.4	I41 I44 L45 W138 I173 T174 V182	I41-V178 HydrophobicContact CG1-CG2 4.42Å; I41-V178 HydrophobicContact CG2-CG1 3.92Å; I44-V178 HydrophobicContact CB-CG1 4.34Å; I44-V178 HydrophobicContact CD1-CB 4.45Å; I44-V178 HydrophobicContact CD1-CG2 4.05Å; I44-V178 HydrophobicContact CG2-CB 3.95Å; I44-V178 HydrophobicContact CG2-CG1 3.78Å; L45-V178 HydrophobicContact CD1-CG1 4.18Å; L45-V178 HydrophobicContact CD2-CG1 3.64Å; L45-V178 HydrophobicContact CG-CG1 3.65Å; W138-V178 HydrophobicContact CH2-CG1 4.06Å; W138-V178 HydrophobicContact CZ3-CG1 4.21Å; I173-V178 HydrophobicContact CG2-CG2 4.47Å; T174-V178 VanDerWaalsContact O-CB 3.27Å; T174-V178 WeakPolarHBondContact O-CB 3.33Å; T174-V178 VanDerWaalsContact O-CG2 3.31Å; T174-V178 WeakPolarHBondContact O-CG2 3.48Å; T174-V178 PolarHBondContact O-N 2.7Å; V178-V182 PolarHBondContact O-N 2.93Å
179	H	93.7	Very high	92.7	Very high	56 Å²	56	51.9 Å²	51.9	26%	0.259	26%	0.263	S	S	.	.	H	α-helix	trans	-67.5	-48.5	170	-73.9	-51.8	0	0	0	112	P175 A177 A181 V182 D183	P175-H179 WeakPolarHBondContact O-CB 3.31Å; P175-H179 PolarHBondContact O-CD2 3.36Å; P175-H179 PolarHBondContact O-N 3.36Å; P175-H179 VanDerWaalsContact O-N 3.13Å; A177-H179 PolarHBondContact O-N 3.13Å; H179-A181 PolarHBondContact O-N 3.45Å; H179-A181 VanDerWaalsContact O-N 3.12Å; H179-V182 PolarHBondContact O-N 2.69Å; H179-D183 VanDerWaalsContact O-CG 3.3Å; H179-D183 PolarHBondContact O-N 3.2Å
180	R	92.8	Very high	92.8	Very high	110 Å²	110	51.9 Å²	51.9	42%	0.415	26%	0.264	S	S	.	.	H	α-helix	trans	-54.4	-34.4	175.2	-74.3	-177.1	-52.7	-131.4	-0.1	113.1	E172 A176 A177 D183 R184	E172-R180 IonicContact OE1-NH2 2.67Å; A176-R180 WeakPolarHBondContact O-CB 3.31Å; A176-R180 VanDerWaalsContact O-CG 3.24Å; A176-R180 WeakPolarHBondContact O-CG 3.49Å; A176-R180 PolarHBondContact O-N 3.05Å; A176-R180 VanDerWaalsContact O-N 3.08Å; A176-R180 PolarHBondContact O-NE 2.85Å; A177-R180 PolarHBondContact O-N 2.92Å; R180-D183 PolarHBondContact O-N 2.99Å; R180-R184 WeakPolarHBondContact O-CB 3.37Å; R180-R184 PolarHBondContact O-N 2.9Å
181	A	94.8	Very high	93.1	Very high	3 Å²	3	55 Å²	55	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-72.4	-30.4	178.7	0	0	0	0	0	113.2	W138 A168 R169 F170 A177 H179 L185	W138-A181 HydrophobicContact CH2-CB 4.16Å; W138-A181 HydrophobicContact CZ3-CB 4.14Å; A168-A181 HydrophobicContact CB-CB 4.26Å; R169-A181 WeakPolarHBondContact O-CB 3.38Å; F170-A181 HydrophobicContact CB-CB 4.2Å; A177-A181 WeakPolarHBondContact O-CB 3.48Å; A177-A181 PolarHBondContact O-N 3.26Å; H179-A181 PolarHBondContact O-N 3.45Å; H179-A181 VanDerWaalsContact O-N 3.12Å; A181-L185 WeakPolarHBondContact O-CD2 3.4Å; A181-L185 PolarHBondContact O-N 3.07Å
182	V	95.1	Very high	93.3	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-73.2	-40.9	170	174.4	0	0	0	0	111.2	L45 M67 L69 W138 V178 H179 R184 L185	L45-V182 HydrophobicContact CD1-CG2 4.07Å; L45-V182 HydrophobicContact CD2-CG2 3.79Å; M67-V182 HydrophobicContact CE-CG1 3.88Å; M67-V182 HydrophobicContact CE-CG2 4.46Å; L69-V182 HydrophobicContact CD1-CG1 3.34Å; W138-V182 HydrophobicContact CH2-CG2 3.77Å; W138-V182 HydrophobicContact CZ2-CG2 3.69Å; V178-V182 PolarHBondContact O-N 2.93Å; H179-V182 PolarHBondContact O-N 2.69Å; V182-R184 PolarHBondContact O-N 2.92Å; V182-L185 WeakPolarHBondContact O-CG 3.28Å
183	D	93.5	Very high	93.8	Very high	108 Å²	108	53.4 Å²	53.4	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-71.2	-19	-179.5	-57.9	-28.4	0	0	0	112.7	H179 R180	H179-D183 VanDerWaalsContact O-CG 3.3Å; H179-D183 PolarHBondContact O-N 3.2Å; R180-D183 PolarHBondContact O-N 2.99Å
184	R	93.6	Very high	94.2	Very high	187 Å²	187	54.6 Å²	54.6	71%	0.706	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	44.6	-175.4	-58	-176.4	178.6	-179.8	-0.1	113	R180 V182	R180-R184 WeakPolarHBondContact O-CB 3.37Å; R180-R184 PolarHBondContact O-N 2.9Å; V182-R184 PolarHBondContact O-N 2.92Å
185	L	95.9	Very high	94.7	Very high	42 Å²	42	53.5 Å²	53.5	22%	0.22	27%	0.273	C	S	.	.			trans	-57.4	138.4	172.6	-68.3	169.1	0	0	0	111.4	I136 L166 A168 A181 V182	I136-L185 HydrophobicContact CD1-CD1 3.74Å; I136-L185 HydrophobicContact CD1-CD2 4.34Å; I136-L185 HydrophobicContact CG1-CD1 4.37Å; I136-L185 HydrophobicContact CG2-CD2 3.62Å; L166-L185 HydrophobicContact CB-CB 4.43Å; L166-L185 HydrophobicContact CD1-CB 4.49Å; L166-L185 HydrophobicContact CD1-CD1 3.94Å; A168-L185 HydrophobicContact CB-CD2 3.93Å; A181-L185 WeakPolarHBondContact O-CD2 3.4Å; A181-L185 PolarHBondContact O-N 3.07Å; V182-L185 WeakPolarHBondContact O-CG 3.28Å
186	T	96.2	Very high	95	Very high	64 Å²	64	49.8 Å²	49.8	39%	0.393	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-125.5	-169.6	179.9	-172.5	0	0	0	0	110.7	L166 R167 R169	L166-T186 CarbonylContact C-O 3.52Å; L166-T186 WeakPolarHBondContact CA-O 3.47Å; R167-T186 HydrophobicContact CB-CG2 4.12Å; R167-T186 HydrophobicContact CG-CG2 4.28Å; R167-T186 PolarHBondContact N-O 3.46Å; R167-T186 PolarHBondContact O-N 3.32Å; R169-T186 HydrophobicContact CG-CG2 3.66Å
187	I	96.6	Very high	95.4	Very high	123 Å²	123	48.6 Å²	48.6	63%	0.631	24%	0.235	S	C	*	.			trans	-93.6	155	169.2	60.3	174.8	0	0	0	111.1
188	P	97.1	Very high	95.7	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.039	23%	0.233	C	C	.	.			trans	-64.7	152.8	173.3	-16.9	29.7	0	0	0	112.9	I153 I165 R167 Y190	I153-P188 HydrophobicContact CD1-CB 4.24Å; I153-P188 HydrophobicContact CD1-CG 3.62Å; I165-P188 HydrophobicContact CG2-CG 3.57Å; R167-P188 HydrophobicContact CB-CG 4.29Å; P188-Y190 PolarHBondContact O-N 3.14Å
189	D	95.8	Very high	95.9	Very high	73 Å²	73	50.7 Å²	50.7	39%	0.39	24%	0.242	S	C	.	.			trans	-90	94.4	175.1	-171	-18.6	0	0	0	111.4	E146 N191 A192 S193	E146-D189 HydrophobicContact CG-CB 4.18Å; E146-D189 PolarHBondContact OE2-N 2.73Å; D189-N191 VanDerWaalsContact C-N 3.27Å; D189-N191 PolarHBondContact O-N 2.84Å; D189-N191 WeakPolarHBondContact OD1-CA 3.41Å; D189-N191 WeakPolarHBondContact OD1-CB 3.44Å; D189-N191 PolarHBondContact OD1-N 2.84Å; D189-A192 HydrophobicContact CB-CB 3.93Å; D189-A192 PolarHBondContact O-N 3.43Å; D189-A192 PolarHBondContact OD1-N 2.83Å; D189-S193 PolarHBondContact O-N 2.76Å; D189-S193 VanDerWaalsContact O-N 3.09Å
190	Y	97.3	Very high	96	Very high	87 Å²	87	49.3 Å²	49.3	34%	0.341	24%	0.235	S	C	.	.	H	α-helix	trans	-67	-22.6	176.9	-67.8	-71.8	0	0	0	113.8	V150 R157 P188 T194	V150-Y190 HydrophobicContact CG1-CE1 4.39Å; V150-Y190 HydrophobicContact CG2-CD1 3.76Å; V150-Y190 HydrophobicContact CG2-CE1 3.78Å; R157-Y190 PolarHBondContact NH1-OH 3.04Å; P188-Y190 PolarHBondContact O-N 3.14Å; Y190-T194 VanDerWaalsContact O-CB 3.32Å; Y190-T194 WeakPolarHBondContact O-CB 3.28Å; Y190-T194 PolarHBondContact O-N 2.86Å; Y190-T194 PolarHBondContact O-OG1 3.03Å
191	N	97.2	Very high	96.2	Very high	74 Å²	74	45.6 Å²	45.6	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-74.6	-44.1	175.2	-70.3	-5.5	0	0	0	110.5	D189 S193 T194 A195 C609	D189-N191 VanDerWaalsContact C-N 3.27Å; D189-N191 PolarHBondContact O-N 2.84Å; D189-N191 WeakPolarHBondContact OD1-CA 3.41Å; D189-N191 WeakPolarHBondContact OD1-CB 3.44Å; D189-N191 PolarHBondContact OD1-N 2.84Å; N191-S193 VanDerWaalsContact C-N 3.33Å; N191-S193 PolarHBondContact O-N 3Å; N191-T194 PolarHBondContact O-N 3.38Å; N191-A195 PolarHBondContact O-N 3.08Å; N191-C609 WeakPolarHBondContact CB-O 3.4Å
192	A	94.7	Very high	96.4	Very high	6 Å²	6	45.5 Å²	45.5	5%	0.05	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-44.3	173	0	0	0	0	0	111.6	R143 E146 D189 T194 A195 V196	R143-A192 HydrophobicContact CG-CB 4.49Å; E146-A192 HydrophobicContact CB-CB 4.22Å; E146-A192 HydrophobicContact CG-CB 4.26Å; D189-A192 HydrophobicContact CB-CB 3.93Å; D189-A192 PolarHBondContact O-N 3.43Å; D189-A192 PolarHBondContact OD1-N 2.83Å; A192-T194 PolarHBondContact O-N 3.3Å; A192-A195 PolarHBondContact O-N 3.19Å; A192-V196 PolarHBondContact O-N 3.38Å
193	S	97.1	Very high	96.4	Very high	3 Å²	3	47 Å²	47	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-48.1	172.5	-177.5	0	0	0	0	111.9	N147 V150 D189 N191 A195 V196 D197	N147-S193 PolarHBondContact ND2-O 2.93Å; N147-S193 PolarHBondContact ND2-OG 2.86Å; V150-S193 WeakPolarHBondContact CG2-OG 2.78Å; D189-S193 PolarHBondContact O-N 2.76Å; D189-S193 VanDerWaalsContact O-N 3.09Å; N191-S193 VanDerWaalsContact C-N 3.33Å; N191-S193 PolarHBondContact O-N 3Å; S193-A195 VanDerWaalsContact C-N 3.3Å; S193-A195 PolarHBondContact O-N 3.19Å; S193-V196 WeakPolarHBondContact O-CB 3.17Å; S193-V196 PolarHBondContact O-N 2.69Å; S193-D197 PolarHBondContact O-N 2.85Å
194	T	97.9	Very high	96.6	Very high	37 Å²	37	43.9 Å²	43.9	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-36.2	-177.3	-62.7	0	0	0	0	112.1	Y190 N191 A192 V196 D197 V198 I608 K615	Y190-T194 VanDerWaalsContact O-CB 3.32Å; Y190-T194 WeakPolarHBondContact O-CB 3.28Å; Y190-T194 PolarHBondContact O-N 2.86Å; Y190-T194 PolarHBondContact O-OG1 3.03Å; N191-T194 PolarHBondContact O-N 3.38Å; A192-T194 PolarHBondContact O-N 3.3Å; T194-V196 VanDerWaalsContact C-N 3.33Å; T194-V196 PolarHBondContact O-N 2.97Å; T194-D197 PolarHBondContact O-N 3.42Å; T194-V198 WeakPolarHBondContact O-CG2 3.39Å; T194-V198 PolarHBondContact O-N 3.44Å; T194-I608 HydrophobicContact CG2-CG2 3.93Å; T194-K615 HydrophobicContact CG2-CB 3.71Å; T194-K615 HydrophobicContact CG2-CD 3.89Å; T194-K615 HydrophobicContact CG2-CG 4.19Å
195	A	97.2	Very high	96.8	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-37.1	174.5	0	0	0	0	0	112.3	N191 A192 S193 R199 L605 I608 C609	N191-A195 PolarHBondContact O-N 3.08Å; A192-A195 PolarHBondContact O-N 3.19Å; S193-A195 VanDerWaalsContact C-N 3.3Å; S193-A195 PolarHBondContact O-N 3.19Å; A195-R199 WeakPolarHBondContact O-CB 3.47Å; A195-R199 PolarHBondContact O-N 2.91Å; A195-L605 HydrophobicContact CB-CB 4.47Å; A195-L605 WeakPolarHBondContact CB-O 3.39Å; A195-I608 HydrophobicContact CB-CB 4.05Å; A195-I608 HydrophobicContact CB-CG2 3.97Å; A195-C609 WeakPolarHBondContact CB-SG 3.46Å
196	V	96.5	Very high	96.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-42.3	174	175.6	0	0	0	0	111.2	R143 E144 N147 A192 S193 T194 V198 R199 Q200	R143-V196 HydrophobicContact CB-CG2 3.75Å; E144-V196 WeakPolarHBondContact OE1-CG1 3.49Å; E144-V196 WeakPolarHBondContact OE1-CG2 3.48Å; N147-V196 HydrophobicContact CB-CB 3.84Å; N147-V196 HydrophobicContact CB-CG1 3.77Å; N147-V196 HydrophobicContact CB-CG2 4.25Å; A192-V196 PolarHBondContact O-N 3.38Å; S193-V196 WeakPolarHBondContact O-CB 3.17Å; S193-V196 PolarHBondContact O-N 2.69Å; T194-V196 VanDerWaalsContact C-N 3.33Å; T194-V196 PolarHBondContact O-N 2.97Å; V196-V198 PolarHBondContact O-N 2.85Å; V196-R199 WeakPolarHBondContact O-CB 3.35Å; V196-R199 PolarHBondContact O-N 3.33Å; V196-Q200 HydrophobicContact CG1-CG 4.3Å; V196-Q200 WeakPolarHBondContact O-CG 3.46Å; V196-Q200 PolarHBondContact O-N 2.84Å
197	D	97.1	Very high	96.8	Very high	28 Å²	28	31.2 Å²	31.2	15%	0.15	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-44.4	176.3	-66.6	-44.8	0	0	0	111.7	Y88 K112 N147 S193 T194 Q200 E201	Y88-D197 HydrophobicContact CE2-CB 4.31Å; Y88-D197 PolarHBondContact OH-OD1 3.14Å; K112-D197 WeakPolarHBondContact CE-OD1 3.3Å; K112-D197 IonicContact NZ-OD1 2.71Å; K112-D197 PolarHBondContact NZ-OD1 2.95Å; N147-D197 PolarHBondContact ND2-OD1 2.73Å; N147-D197 PolarHBondContact ND2-OD2 2.83Å; S193-D197 PolarHBondContact O-N 2.85Å; T194-D197 PolarHBondContact O-N 3.42Å; D197-Q200 PolarHBondContact O-N 2.91Å; D197-E201 PolarHBondContact O-N 3.33Å
198	V	97.6	Very high	96.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-42	175.1	170.4	0	0	0	0	111.8	T194 V196 E201 L202 L605 I608 K615 V618 L619	T194-V198 WeakPolarHBondContact O-CG2 3.39Å; T194-V198 PolarHBondContact O-N 3.44Å; V196-V198 PolarHBondContact O-N 2.85Å; V198-E201 PolarHBondContact O-N 3.41Å; V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 HydrophobicContact CG1-CG 4.26Å; V198-L202 WeakPolarHBondContact O-CB 3.28Å; V198-L202 VanDerWaalsContact O-CG 3.29Å; V198-L202 WeakPolarHBondContact O-CG 3.22Å; V198-L202 PolarHBondContact O-N 2.79Å; V198-L605 HydrophobicContact CB-CD2 4.32Å; V198-L605 HydrophobicContact CG1-CD2 3.94Å; V198-I608 HydrophobicContact CB-CD1 4.05Å; V198-I608 HydrophobicContact CG1-CD1 4.01Å; V198-I608 HydrophobicContact CG2-CD1 3.93Å; V198-K615 HydrophobicContact CG2-CB 3.42Å; V198-K615 VanDerWaalsContact CG2-CB 3.42Å; V198-V618 HydrophobicContact CG1-CB 4.43Å; V198-V618 HydrophobicContact CG1-CG1 3.8Å; V198-L619 HydrophobicContact CG1-CD2 4.13Å; V198-L619 HydrophobicContact CG1-CG 4.17Å; V198-L619 HydrophobicContact CG2-CD1 4.26Å; V198-L619 HydrophobicContact CG2-CG 4.14Å
199	R	97.1	Very high	96.8	Very high	49 Å²	49	26 Å²	26	19%	0.185	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-49.1	174.5	-173.1	-174.4	66.2	66.4	-5.3	111	E144 A195 V196 D203 F601 L605	E144-R199 IonicContact OE1-CZ 3.72Å; E144-R199 IonicContact OE1-NE 3.88Å; E144-R199 PolarHBondContact OE1-NE 3.07Å; E144-R199 IonicContact OE1-NH2 2.68Å; E144-R199 PolarHBondContact OE1-NH2 3.42Å; E144-R199 IonicContact OE2-CZ 3.14Å; E144-R199 IonicContact OE2-NH2 3.19Å; E144-R199 PolarHBondContact OE2-NH2 3.29Å; A195-R199 WeakPolarHBondContact O-CB 3.47Å; A195-R199 PolarHBondContact O-N 2.91Å; V196-R199 WeakPolarHBondContact O-CB 3.35Å; V196-R199 PolarHBondContact O-N 3.33Å; R199-D203 VanDerWaalsContact O-CB 3.29Å; R199-D203 WeakPolarHBondContact O-CB 3.24Å; R199-D203 PolarHBondContact O-N 2.98Å; R199-F601 HydrophobicContact CG-CE1 4.41Å; R199-L605 HydrophobicContact CB-CD1 3.78Å; R199-L605 HydrophobicContact CB-CD2 4.21Å; R199-L605 HydrophobicContact CG-CD1 3.83Å
200	Q	95.9	Very high	96.9	Very high	26 Å²	26	22.5 Å²	22.5	12%	0.121	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-43.3	-180	-69.7	-179.9	8.6	0	0	112.1	H84 Y88 V196 D197 L204	H84-Q200 PolarHBondContact CE1-NE2 3.34Å; Y88-Q200 HydrophobicContact CD2-CB 3.84Å; Y88-Q200 HydrophobicContact CE2-CB 4.22Å; V196-Q200 HydrophobicContact CG1-CG 4.3Å; V196-Q200 WeakPolarHBondContact O-CG 3.46Å; V196-Q200 PolarHBondContact O-N 2.84Å; D197-Q200 PolarHBondContact O-N 2.91Å; Q200-L204 WeakPolarHBondContact O-CB 3.43Å; Q200-L204 PolarHBondContact O-N 3.02Å
201	E	97.2	Very high	96.9	Very high	33 Å²	33	19.1 Å²	19.1	15%	0.154	10%	0.104	C	C	.	.	H	α-helix	trans	-64.9	-47.4	177.1	172	159	-159	0	0	112.5	I110 D197 V198 L204 R205 L619	I110-E201 HydrophobicContact CD1-CB 3.98Å; I110-E201 HydrophobicContact CD1-CG 3.59Å; I110-E201 WeakPolarHBondContact CD1-OE1 3.15Å; D197-E201 PolarHBondContact O-N 3.33Å; V198-E201 PolarHBondContact O-N 3.41Å; E201-L204 PolarHBondContact O-N 3.15Å; E201-R205 HydrophobicContact CG-CG 4.41Å; E201-R205 WeakPolarHBondContact O-CB 3.42Å; E201-R205 VanDerWaalsContact O-CG 3.3Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å; E201-R205 PolarHBondContact O-N 3.02Å; E201-R205 IonicContact OE1-CZ 3.6Å; E201-R205 IonicContact OE1-NE 3.75Å; E201-R205 PolarHBondContact OE1-NE 2.99Å; E201-R205 IonicContact OE1-NH2 2.78Å; E201-R205 PolarHBondContact OE1-NH2 3.23Å; E201-L619 HydrophobicContact CB-CD2 4.17Å; E201-L619 HydrophobicContact CG-CD2 3.77Å
202	L	97.2	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-48.8	177.9	-73.5	175	0	0	0	111.4	V198 L204 R205 I206 F601 V618 L619 H622 L623	V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 HydrophobicContact CG1-CG 4.26Å; V198-L202 WeakPolarHBondContact O-CB 3.28Å; V198-L202 VanDerWaalsContact O-CG 3.29Å; V198-L202 WeakPolarHBondContact O-CG 3.22Å; V198-L202 PolarHBondContact O-N 2.79Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.67Å; L202-R205 PolarHBondContact O-N 3.29Å; L202-I206 HydrophobicContact CB-CD1 4.24Å; L202-I206 HydrophobicContact CD2-CD1 4.46Å; L202-I206 VanDerWaalsContact O-CB 3.31Å; L202-I206 WeakPolarHBondContact O-CB 3.44Å; L202-I206 WeakPolarHBondContact O-CD1 3.36Å; L202-I206 VanDerWaalsContact O-CG1 3.23Å; L202-I206 WeakPolarHBondContact O-CG1 3.38Å; L202-I206 PolarHBondContact O-N 2.73Å; L202-F601 HydrophobicContact CB-CE1 4.22Å; L202-F601 HydrophobicContact CB-CE2 3.66Å; L202-F601 HydrophobicContact CB-CZ 3.35Å; L202-F601 HydrophobicContact CD1-CD1 4.08Å; L202-F601 HydrophobicContact CD1-CD2 4.26Å; L202-F601 HydrophobicContact CD1-CE1 3.66Å; L202-F601 HydrophobicContact CD1-CE2 3.87Å; L202-F601 HydrophobicContact CD1-CG 4.37Å; L202-F601 HydrophobicContact CD1-CZ 3.57Å; L202-F601 HydrophobicContact CG-CE2 4.36Å; L202-F601 HydrophobicContact CG-CZ 4.1Å; L202-V618 HydrophobicContact CD1-CG1 4.48Å; L202-L619 HydrophobicContact CD2-CD2 4.01Å; L202-L619 HydrophobicContact CG-CD2 3.97Å; L202-H622 HydrophobicContact CD1-CB 4.07Å; L202-H622 HydrophobicContact CD2-CB 3.87Å; L202-L623 HydrophobicContact CD2-CD2 3.71Å; L202-L623 HydrophobicContact CD2-CG 3.69Å
203	D	96.9	Very high	96.9	Very high	36 Å²	36	16.2 Å²	16.2	19%	0.193	9%	0.086	C	C	.	.	H	α-helix	trans	-67	-33.3	-178.5	-71.9	-25.1	0	0	0	111.9	R199 G207 S235 R598 F601	R199-D203 VanDerWaalsContact O-CB 3.29Å; R199-D203 WeakPolarHBondContact O-CB 3.24Å; R199-D203 PolarHBondContact O-N 2.98Å; D203-G207 VanDerWaalsContact O-CA 3.29Å; D203-G207 WeakPolarHBondContact O-CA 3.44Å; D203-G207 PolarHBondContact O-N 3.13Å; D203-S235 WeakPolarHBondContact OD1-CB 3.47Å; D203-S235 PolarHBondContact OD1-OG 2.95Å; D203-R598 VanDerWaalsContact CG-NH1 3.31Å; D203-R598 IonicContact OD1-NH1 3.28Å; D203-R598 PolarHBondContact OD1-NH1 2.97Å; D203-R598 IonicContact OD2-CZ 3.23Å; D203-R598 IonicContact OD2-NH1 2.69Å; D203-R598 PolarHBondContact OD2-NH1 3.37Å; D203-R598 IonicContact OD2-NH2 3.42Å; D203-F601 WeakPolarHBondContact OD1-CZ 3.25Å
204	L	96.2	Very high	96.8	Very high	41 Å²	41	16.1 Å²	16.1	22%	0.215	9%	0.085	C	C	.	.	H	α-helix	trans	-64.7	-52.5	170.4	174.5	62.7	0	0	0	112.1	F90 I110 Q200 E201 L202 A208	F90-L204 HydrophobicContact CD2-CD1 4.39Å; F90-L204 HydrophobicContact CE2-CD1 3.71Å; F90-L204 HydrophobicContact CE2-CD2 4.36Å; F90-L204 HydrophobicContact CE2-CG 3.89Å; F90-L204 HydrophobicContact CZ-CD1 4.25Å; F90-L204 HydrophobicContact CZ-CD2 4.48Å; F90-L204 HydrophobicContact CZ-CG 3.95Å; I110-L204 HydrophobicContact CG2-CD2 4.18Å; Q200-L204 WeakPolarHBondContact O-CB 3.43Å; Q200-L204 PolarHBondContact O-N 3.02Å; E201-L204 PolarHBondContact O-N 3.15Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.67Å; L204-A208 WeakPolarHBondContact O-CB 3.35Å; L204-A208 PolarHBondContact O-N 2.84Å
205	R	97.6	Very high	96.6	Very high	17 Å²	17	14.4 Å²	14.4	6%	0.064	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-54.1	-175.5	-72.6	177.3	179.5	-68.4	-1.1	111.7	F90 L105 F106 A108 E201 L202 A209 L623	F90-R205 HydrophobicContact CE1-CG 4.46Å; L105-R205 PolarHBondContact O-NH1 3.42Å; L105-R205 VanDerWaalsContact O-NH1 3.12Å; F106-R205 PolarHBondContact O-NH1 3.23Å; A108-R205 PolarHBondContact O-NH1 2.72Å; A108-R205 PolarHBondContact O-NH2 3.47Å; A108-R205 VanDerWaalsContact O-NH2 3.14Å; E201-R205 HydrophobicContact CG-CG 4.41Å; E201-R205 WeakPolarHBondContact O-CB 3.42Å; E201-R205 VanDerWaalsContact O-CG 3.3Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å; E201-R205 PolarHBondContact O-N 3.02Å; E201-R205 IonicContact OE1-CZ 3.6Å; E201-R205 IonicContact OE1-NE 3.75Å; E201-R205 PolarHBondContact OE1-NE 2.99Å; E201-R205 IonicContact OE1-NH2 2.78Å; E201-R205 PolarHBondContact OE1-NH2 3.23Å; L202-R205 PolarHBondContact O-N 3.29Å; R205-A209 WeakPolarHBondContact O-CB 3.42Å; R205-A209 PolarHBondContact O-N 3.28Å; R205-L623 HydrophobicContact CB-CD2 3.85Å; R205-L623 VanDerWaalsContact CD-CD2 3.48Å; R205-L623 HydrophobicContact CG-CD2 4.33Å
206	I	97.2	Very high	96.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-48.3	-179.1	-59.8	162.8	0	0	0	109.5	F106 L202 A208 A209 F210 Y233 F601 Y626	F106-I206 HydrophobicContact CE1-CG1 4.21Å; L202-I206 HydrophobicContact CB-CD1 4.24Å; L202-I206 HydrophobicContact CD2-CD1 4.46Å; L202-I206 VanDerWaalsContact O-CB 3.31Å; L202-I206 WeakPolarHBondContact O-CB 3.44Å; L202-I206 WeakPolarHBondContact O-CD1 3.36Å; L202-I206 VanDerWaalsContact O-CG1 3.23Å; L202-I206 WeakPolarHBondContact O-CG1 3.38Å; L202-I206 PolarHBondContact O-N 2.73Å; I206-A208 PolarHBondContact O-N 3.26Å; I206-A209 PolarHBondContact O-N 2.76Å; I206-F210 HydrophobicContact CG2-CD2 3.99Å; I206-F210 HydrophobicContact CG2-CE2 4.23Å; I206-F210 WeakPolarHBondContact O-CD2 3.43Å; I206-F210 PolarHBondContact O-N 2.71Å; I206-Y233 HydrophobicContact CG2-CD1 4.27Å; I206-Y233 HydrophobicContact CG2-CE1 3.82Å; I206-F601 HydrophobicContact CD1-CE2 4.13Å; I206-Y626 HydrophobicContact CD1-CD1 4.18Å; I206-Y626 HydrophobicContact CD1-CD2 3.44Å; I206-Y626 VanDerWaalsContact CD1-CD2 3.44Å; I206-Y626 HydrophobicContact CD1-CE1 4.47Å; I206-Y626 HydrophobicContact CD1-CE2 3.8Å; I206-Y626 HydrophobicContact CD1-CG 3.64Å; I206-Y626 HydrophobicContact CG1-CD1 4.33Å; I206-Y626 HydrophobicContact CG1-CD2 4.2Å; I206-Y626 HydrophobicContact CG1-CG 3.89Å; I206-Y626 HydrophobicContact CG2-CD1 3.54Å; I206-Y626 HydrophobicContact CG2-CE1 3.92Å; I206-Y626 HydrophobicContact CG2-CG 4Å
207	G	96.5	Very high	96.3	Very high	11 Å²	11	16.9 Å²	16.9	11%	0.113	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-47.7	179.9	0	0	0	0	0	112.1	D203 T211	D203-G207 VanDerWaalsContact O-CA 3.29Å; D203-G207 WeakPolarHBondContact O-CA 3.44Å; D203-G207 PolarHBondContact O-N 3.13Å; G207-T211 WeakPolarHBondContact O-CB 3.47Å; G207-T211 PolarHBondContact O-N 2.98Å; G207-T211 PolarHBondContact O-OG1 3.26Å
208	A	96.5	Very high	96.1	Very high	18 Å²	18	15.6 Å²	15.6	15%	0.149	8%	0.078	C	C	.	.	H	α-helix	trans	-67.8	-41.5	-179.8	0	0	0	0	0	113.1	F90 L105 L204 I206 R212	F90-A208 HydrophobicContact CE2-CB 3.69Å; F90-A208 HydrophobicContact CZ-CB 3.88Å; L105-A208 HydrophobicContact CD1-CB 4.03Å; L204-A208 WeakPolarHBondContact O-CB 3.35Å; L204-A208 PolarHBondContact O-N 2.84Å; I206-A208 PolarHBondContact O-N 3.26Å; A208-R212 WeakPolarHBondContact O-CB 3.49Å; A208-R212 VanDerWaalsContact O-CG 3.27Å; A208-R212 WeakPolarHBondContact O-CG 3.37Å; A208-R212 PolarHBondContact O-N 3.13Å
209	A	97.3	Very high	95.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.9	-56.9	179.8	0	0	0	0	0	111.8	L105 F106 R205 I206 F213 F630	L105-A209 HydrophobicContact CB-CB 4.47Å; F106-A209 HydrophobicContact CD2-CB 4.05Å; F106-A209 HydrophobicContact CE2-CB 3.43Å; F106-A209 VanDerWaalsContact CE2-CB 3.43Å; F106-A209 HydrophobicContact CZ-CB 3.84Å; R205-A209 WeakPolarHBondContact O-CB 3.42Å; R205-A209 PolarHBondContact O-N 3.28Å; I206-A209 PolarHBondContact O-N 2.76Å; A209-F213 WeakPolarHBondContact O-CB 3.2Å; A209-F213 PolarHBondContact O-N 3.36Å; A209-F213 VanDerWaalsContact O-N 3.09Å; A209-F630 HydrophobicContact CB-CD2 4.36Å; A209-F630 HydrophobicContact CB-CE2 4.19Å; A209-F630 HydrophobicContact CB-CZ 4.47Å; A209-F630 WeakPolarHBondContact O-CE2 3.36Å
210	F	97	Very high	95.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-42.2	179.8	-78.4	-85.4	0	0	0	112.4	F106 I206 R212 F213 Q214 Y233 Y585 M592 Y626 F630 A633	F106-F210 HydrophobicContact CZ-CE2 4.13Å; I206-F210 HydrophobicContact CG2-CD2 3.99Å; I206-F210 HydrophobicContact CG2-CE2 4.23Å; I206-F210 WeakPolarHBondContact O-CD2 3.43Å; I206-F210 PolarHBondContact O-N 2.71Å; F210-R212 PolarHBondContact O-N 3.48Å; F210-F213 PolarHBondContact O-N 2.89Å; F210-Q214 WeakPolarHBondContact O-CG 3.3Å; F210-Q214 PolarHBondContact O-N 3.22Å; F210-Y233 VanDerWaalsContact CB-CB 3.41Å; F210-Y233 HydrophobicContact CB-CD1 3.61Å; F210-Y233 HydrophobicContact CB-CD2 4.24Å; F210-Y233 HydrophobicContact CB-CG 3.47Å; F210-Y233 VanDerWaalsContact CB-CG 3.47Å; F210-Y233 HydrophobicContact CD2-CD1 4.05Å; F210-Y233 HydrophobicContact CD2-CE1 4.21Å; F210-Y233 AromaticContact CG-CD1 3.94Å; F210-Y233 HydrophobicContact CG-CD1 3.94Å; F210-Y233 HydrophobicContact CG-CD2 4.46Å; F210-Y233 HydrophobicContact CG-CE1 4.39Å; F210-Y233 HydrophobicContact CG-CG 4.01Å; F210-Y585 HydrophobicContact CD1-CE1 4.37Å; F210-Y585 HydrophobicContact CE1-CE1 4.34Å; F210-M592 HydrophobicContact CD1-CE 3.87Å; F210-M592 HydrophobicContact CD2-CE 4.41Å; F210-M592 HydrophobicContact CE1-CE 3.26Å; F210-M592 HydrophobicContact CE1-SD 4.31Å; F210-M592 HydrophobicContact CE2-CE 3.88Å; F210-M592 HydrophobicContact CG-CE 4.41Å; F210-M592 HydrophobicContact CZ-CE 3.26Å; F210-Y626 HydrophobicContact CE2-CD1 4.34Å; F210-F630 AromaticContact CD1-CD2 3.74Å; F210-F630 HydrophobicContact CD1-CD2 3.74Å; F210-F630 HydrophobicContact CD1-CE2 4.29Å; F210-F630 AromaticContact CD2-CD2 3.88Å; F210-F630 HydrophobicContact CD2-CD2 3.88Å; F210-F630 HydrophobicContact CE1-CB 4.21Å; F210-F630 AromaticContact CE1-CD2 3.67Å; F210-F630 HydrophobicContact CE1-CD2 3.67Å; F210-F630 HydrophobicContact CE1-CG 4.43Å; F210-F630 HydrophobicContact CE2-CB 3.85Å; F210-F630 AromaticContact CE2-CD2 3.82Å; F210-F630 HydrophobicContact CE2-CD2 3.82Å; F210-F630 HydrophobicContact CE2-CG 4.31Å; F210-F630 AromaticContact CG-CD2 3.84Å; F210-F630 HydrophobicContact CG-CD2 3.84Å; F210-F630 HydrophobicContact CG-CE2 4.31Å; F210-F630 VanDerWaalsContact CZ-CA 3.5Å; F210-F630 HydrophobicContact CZ-CB 3.57Å; F210-F630 AromaticContact CZ-CD2 3.71Å; F210-F630 HydrophobicContact CZ-CD2 3.71Å; F210-F630 HydrophobicContact CZ-CG 4.15Å; F210-A633 HydrophobicContact CE1-CB 3.99Å
211	T	97.1	Very high	95.2	Very high	16 Å²	16	19.5 Å²	19.5	10%	0.098	9%	0.092	C	C	.	.	H	α-helix	trans	-59.2	-47	178	-65.5	0	0	0	0	112	W97 G207 T215 L230 S232 Y233	W97-T211 HydrophobicContact CH2-CG2 3.78Å; W97-T211 HydrophobicContact CZ2-CG2 4.14Å; G207-T211 WeakPolarHBondContact O-CB 3.47Å; G207-T211 PolarHBondContact O-N 2.98Å; G207-T211 PolarHBondContact O-OG1 3.26Å; T211-T215 WeakPolarHBondContact O-CB 3.22Å; T211-T215 PolarHBondContact O-N 3.35Å; T211-T215 PolarHBondContact O-OG1 3.42Å; T211-L230 HydrophobicContact CG2-CD1 4.25Å; T211-S232 WeakPolarHBondContact OG1-CA 3.46Å; T211-Y233 PolarHBondContact OG1-N 3.35Å; T211-Y233 PolarHBondContact OG1-O 3.21Å
212	R	96.2	Very high	95	Very high	11 Å²	11	18 Å²	18	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-46.2	178.8	-71.6	-174.1	-163.1	-173.1	8.8	111.2	Y94 K95 S96 W97 P102 A208 F210 L216	Y94-R212 VanDerWaalsContact O-CZ 3.3Å; Y94-R212 PolarHBondContact O-NH1 3.34Å; Y94-R212 PolarHBondContact O-NH2 2.97Å; K95-R212 PolarHBondContact O-NH2 2.95Å; S96-R212 PolarHBondContact O-NH1 3.42Å; S96-R212 VanDerWaalsContact O-NH1 3.13Å; W97-R212 HydrophobicContact CD2-CG 3.82Å; W97-R212 HydrophobicContact CE3-CB 4.42Å; W97-R212 HydrophobicContact CE3-CG 3.94Å; W97-R212 HydrophobicContact CG-CG 4.25Å; W97-R212 HydrophobicContact CH2-CG 4.3Å; W97-R212 HydrophobicContact CZ2-CG 4.21Å; W97-R212 HydrophobicContact CZ3-CB 4.48Å; W97-R212 HydrophobicContact CZ3-CG 4.19Å; P102-R212 HydrophobicContact CB-CB 4.14Å; P102-R212 HydrophobicContact CG-CB 3.9Å; A208-R212 WeakPolarHBondContact O-CB 3.49Å; A208-R212 VanDerWaalsContact O-CG 3.27Å; A208-R212 WeakPolarHBondContact O-CG 3.37Å; A208-R212 PolarHBondContact O-N 3.13Å; F210-R212 PolarHBondContact O-N 3.48Å; R212-L216 HydrophobicContact CB-CD1 4.46Å; R212-L216 WeakPolarHBondContact O-CB 3.35Å; R212-L216 WeakPolarHBondContact O-CG 3.32Å; R212-L216 PolarHBondContact O-N 3.07Å
213	F	95.5	Very high	94.5	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.035	10%	0.096	C	C	.	.	H	α-helix	trans	-53.1	-60.3	176.6	156.5	-113.3	0	0	0	111.9	A209 F210 L216 R217 F630 A633 L634 A637	A209-F213 WeakPolarHBondContact O-CB 3.2Å; A209-F213 PolarHBondContact O-N 3.36Å; A209-F213 VanDerWaalsContact O-N 3.09Å; F210-F213 PolarHBondContact O-N 2.89Å; F213-L216 PolarHBondContact O-N 3.01Å; F213-R217 WeakPolarHBondContact O-CB 3.26Å; F213-R217 PolarHBondContact O-N 2.82Å; F213-F630 HydrophobicContact CB-CE2 3.64Å; F213-F630 HydrophobicContact CB-CZ 3.81Å; F213-F630 HydrophobicContact CD1-CE2 4.19Å; F213-F630 HydrophobicContact CG-CE2 4.03Å; F213-F630 HydrophobicContact CG-CZ 4.31Å; F213-A633 HydrophobicContact CE1-CB 4.4Å; F213-L634 HydrophobicContact CD2-CD2 3.54Å; F213-L634 HydrophobicContact CD2-CG 4.38Å; F213-L634 HydrophobicContact CE2-CD2 3.68Å; F213-L634 HydrophobicContact CE2-CG 4.41Å; F213-L634 HydrophobicContact CG-CD2 4.4Å; F213-A637 HydrophobicContact CE2-CB 3.92Å; F213-A637 HydrophobicContact CZ-CB 3.71Å
214	Q	94.8	Very high	93.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-72.1	-36.8	-172	75.1	-167.7	12.5	0	0	112	F210 L218 I231 S232 Y585 L640	F210-Q214 WeakPolarHBondContact O-CG 3.3Å; F210-Q214 PolarHBondContact O-N 3.22Å; Q214-L218 HydrophobicContact CB-CD1 4.24Å; Q214-L218 WeakPolarHBondContact O-CB 3.46Å; Q214-L218 WeakPolarHBondContact O-CD1 3.2Å; Q214-L218 WeakPolarHBondContact O-CG 3.33Å; Q214-L218 PolarHBondContact O-N 3.2Å; Q214-I231 HydrophobicContact CG-CB 4.29Å; Q214-I231 HydrophobicContact CG-CG2 4.05Å; Q214-I231 WeakPolarHBondContact CG-O 3.34Å; Q214-I231 PolarHBondContact NE2-O 3.09Å; Q214-S232 PolarHBondContact NE2-O 2.96Å; Q214-S232 VanDerWaalsContact NE2-O 3.08Å; Q214-Y585 PolarHBondContact OE1-OH 2.92Å; Q214-L640 HydrophobicContact CB-CD2 4.1Å
215	T	94.2	Very high	93.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-44.9	175.7	-61.6	0	0	0	0	111.7	W97 T211 R217 R219 L230 I231	W97-T215 HydrophobicContact CH2-CG2 4.06Å; W97-T215 HydrophobicContact CZ3-CG2 3.66Å; T211-T215 WeakPolarHBondContact O-CB 3.22Å; T211-T215 PolarHBondContact O-N 3.35Å; T211-T215 PolarHBondContact O-OG1 3.42Å; T215-R217 VanDerWaalsContact C-N 3.35Å; T215-R219 HydrophobicContact CG2-CG 4.33Å; T215-R219 VanDerWaalsContact O-CB 3.29Å; T215-R219 WeakPolarHBondContact O-CB 3.27Å; T215-R219 VanDerWaalsContact O-CG 3.24Å; T215-R219 WeakPolarHBondContact O-CG 3.44Å; T215-R219 PolarHBondContact O-N 2.9Å; T215-R219 VanDerWaalsContact O-N 3.15Å; T215-L230 HydrophobicContact CG2-CD1 4.33Å; T215-I231 WeakPolarHBondContact OG1-CA 3.12Å; T215-I231 WeakPolarHBondContact OG1-CB 3.36Å; T215-I231 PolarHBondContact OG1-N 2.86Å; T215-I231 PolarHBondContact OG1-O 3.09Å
216	L	93.2	Very high	92.9	Very high	23 Å²	23	25.5 Å²	25.5	12%	0.12	13%	0.13	C	C	.	.	H	α-helix	trans	-71.2	-29	-179.7	-67.7	176.3	0	0	0	112.9	W97 H98 R212 F213 R220	W97-L216 HydrophobicContact CE3-CD1 4.38Å; W97-L216 HydrophobicContact CE3-CD2 3.99Å; W97-L216 HydrophobicContact CE3-CG 4.01Å; W97-L216 HydrophobicContact CZ3-CG 4.35Å; H98-L216 VanDerWaalsContact NE2-CD2 3.33Å; H98-L216 WeakPolarHBondContact NE2-CD2 3.3Å; R212-L216 HydrophobicContact CB-CD1 4.46Å; R212-L216 WeakPolarHBondContact O-CB 3.35Å; R212-L216 WeakPolarHBondContact O-CG 3.32Å; R212-L216 PolarHBondContact O-N 3.07Å; F213-L216 PolarHBondContact O-N 3.01Å; L216-R220 WeakPolarHBondContact O-CD 3.44Å; L216-R220 WeakPolarHBondContact O-CG 3.38Å
217	R	93.4	Very high	91.9	Very high	34 Å²	34	28.3 Å²	28.3	13%	0.128	15%	0.15	C	C	.	.	H	α-helix	trans	-72.3	-60.1	171.4	-175.3	179.4	-170.9	87.3	5.8	111.1	F213 T215 R219 R220 V221 D641	F213-R217 WeakPolarHBondContact O-CB 3.26Å; F213-R217 PolarHBondContact O-N 2.82Å; T215-R217 VanDerWaalsContact C-N 3.35Å; R217-R219 VanDerWaalsContact C-N 3.31Å; R217-R219 PolarHBondContact O-N 2.74Å; R217-R220 WeakPolarHBondContact O-CA 3.2Å; R217-R220 WeakPolarHBondContact O-CB 3.35Å; R217-R220 PolarHBondContact O-N 3.1Å; R217-V221 HydrophobicContact CG-CG2 4.01Å; R217-V221 PolarHBondContact O-N 2.71Å; R217-V221 VanDerWaalsContact O-N 3.1Å; R217-D641 WeakPolarHBondContact CD-OD1 3.48Å; R217-D641 IonicContact CZ-OD1 3.53Å; R217-D641 IonicContact CZ-OD2 3.75Å; R217-D641 VanDerWaalsContact NE-CG 3.31Å; R217-D641 IonicContact NE-OD1 3.15Å; R217-D641 PolarHBondContact NE-OD1 3.33Å; R217-D641 IonicContact NE-OD2 2.74Å; R217-D641 PolarHBondContact NE-OD2 2.92Å; R217-D641 IonicContact NH2-OD2 3.5Å; R217-D641 PolarHBondContact NH2-OD2 3.35Å
218	L	93.3	Very high	91	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-27.2	-167.2	-62.4	170.3	0	0	0	112.9	Q214 R220 V221 F222 L226 I231 L581 L640 L644	Q214-L218 HydrophobicContact CB-CD1 4.24Å; Q214-L218 WeakPolarHBondContact O-CB 3.46Å; Q214-L218 WeakPolarHBondContact O-CD1 3.2Å; Q214-L218 WeakPolarHBondContact O-CG 3.33Å; Q214-L218 PolarHBondContact O-N 3.2Å; L218-R220 PolarHBondContact O-N 2.68Å; L218-V221 PolarHBondContact O-N 3.12Å; L218-F222 HydrophobicContact CD2-CD2 4.18Å; L218-F222 HydrophobicContact CD2-CE2 4.01Å; L218-F222 PolarHBondContact O-N 3.01Å; L218-L226 HydrophobicContact CB-CD1 3.84Å; L218-I231 HydrophobicContact CB-CD1 3.72Å; L218-I231 HydrophobicContact CD1-CD1 3.83Å; L218-I231 HydrophobicContact CD1-CG2 4.45Å; L218-I231 HydrophobicContact CG-CD1 4.43Å; L218-L581 HydrophobicContact CD1-CD2 4.06Å; L218-L640 HydrophobicContact CD1-CD2 4.02Å; L218-L640 HydrophobicContact CD1-CG 4.43Å; L218-L640 HydrophobicContact CD2-CD2 4.43Å; L218-L640 HydrophobicContact CD2-CG 4.43Å; L218-L640 HydrophobicContact CG-CD2 4.45Å; L218-L644 HydrophobicContact CD1-CD1 3.44Å; L218-L644 VanDerWaalsContact CD1-CD1 3.44Å; L218-L644 HydrophobicContact CD2-CD1 3.55Å; L218-L644 HydrophobicContact CG-CD1 4.1Å
219	R	91.5	Very high	90.5	Very high	74 Å²	74	36.4 Å²	36.4	28%	0.279	19%	0.186	S	C	.	.	H	α-helix	trans	-63.3	-22.5	167.6	-76.2	-179.7	179.4	-139.6	10.2	114.2	T215 R217 P223 L226 S227 D228 Q229	T215-R219 HydrophobicContact CG2-CG 4.33Å; T215-R219 VanDerWaalsContact O-CB 3.29Å; T215-R219 WeakPolarHBondContact O-CB 3.27Å; T215-R219 VanDerWaalsContact O-CG 3.24Å; T215-R219 WeakPolarHBondContact O-CG 3.44Å; T215-R219 PolarHBondContact O-N 2.9Å; T215-R219 VanDerWaalsContact O-N 3.15Å; R217-R219 VanDerWaalsContact C-N 3.31Å; R217-R219 PolarHBondContact O-N 2.74Å; R219-P223 WeakPolarHBondContact O-CA 3.38Å; R219-P223 WeakPolarHBondContact O-CB 3.32Å; R219-L226 WeakPolarHBondContact CG-O 3.37Å; R219-S227 WeakPolarHBondContact CD-O 3.45Å; R219-S227 WeakPolarHBondContact CG-O 3.33Å; R219-S227 PolarHBondContact NE-O 2.66Å; R219-S227 PolarHBondContact NH1-O 3.03Å; R219-D228 PolarHBondContact NH2-O 3.11Å; R219-Q229 VanDerWaalsContact CZ-O 3.27Å; R219-Q229 PolarHBondContact NE-O 2.66Å; R219-Q229 PolarHBondContact NH2-O 3.48Å
220	R	89.9	Confident	90.1	Very high	85 Å²	85	40 Å²	40	32%	0.321	21%	0.205	S	C	.	.	H	α-helix	trans	-93.5	-27.1	175.4	-63	176.7	-178.5	-170.7	0.5	112.9	L216 R217 L218 V655 G660	L216-R220 WeakPolarHBondContact O-CD 3.44Å; L216-R220 WeakPolarHBondContact O-CG 3.38Å; R217-R220 WeakPolarHBondContact O-CA 3.2Å; R217-R220 WeakPolarHBondContact O-CB 3.35Å; R217-R220 PolarHBondContact O-N 3.1Å; L218-R220 PolarHBondContact O-N 2.68Å; R220-V655 HydrophobicContact CB-CG2 4.24Å; R220-G660 PolarHBondContact NH1-O 3.48Å
221	V	91.7	Very high	90	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-84.5	-34.1	179	-178.1	0	0	0	0	111.4	R217 L218 D641 A652 E653 V655	R217-V221 HydrophobicContact CG-CG2 4.01Å; R217-V221 PolarHBondContact O-N 2.71Å; R217-V221 VanDerWaalsContact O-N 3.1Å; L218-V221 PolarHBondContact O-N 3.12Å; V221-D641 HydrophobicContact CG1-CB 4.13Å; V221-A652 HydrophobicContact CG1-CB 3.53Å; V221-E653 PolarHBondContact O-N 3.45Å; V221-V655 HydrophobicContact CG2-CB 4.2Å; V221-V655 HydrophobicContact CG2-CG2 3.81Å
222	F	91.5	Very high	89.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-132	61.4	-180	-51.9	-72.4	0	0	0	111.2	L218 Q224 A225 L226 D641 L644 A645 L648 Q650 A652	L218-F222 HydrophobicContact CD2-CD2 4.18Å; L218-F222 HydrophobicContact CD2-CE2 4.01Å; L218-F222 PolarHBondContact O-N 3.01Å; F222-Q224 VanDerWaalsContact C-N 3.25Å; F222-Q224 PolarHBondContact O-N 2.83Å; F222-A225 HydrophobicContact CB-CB 4.41Å; F222-A225 PolarHBondContact O-N 3.48Å; F222-L226 HydrophobicContact CB-CB 4.5Å; F222-L226 HydrophobicContact CB-CD1 3.91Å; F222-L226 HydrophobicContact CB-CG 4.06Å; F222-L226 HydrophobicContact CD2-CD1 3.98Å; F222-L226 HydrophobicContact CG-CD1 4.35Å; F222-L226 WeakPolarHBondContact O-CB 3.39Å; F222-L226 PolarHBondContact O-N 3.23Å; F222-D641 WeakPolarHBondContact CZ-O 3.48Å; F222-L644 HydrophobicContact CD2-CB 4.39Å; F222-L644 HydrophobicContact CE2-CB 3.64Å; F222-L644 HydrophobicContact CZ-CB 4.01Å; F222-A645 HydrophobicContact CE1-CB 3.91Å; F222-A645 HydrophobicContact CZ-CB 3.89Å; F222-L648 HydrophobicContact CB-CD1 4.36Å; F222-L648 HydrophobicContact CD1-CD1 4.38Å; F222-L648 HydrophobicContact CD2-CD1 4.15Å; F222-L648 HydrophobicContact CG-CD1 4.04Å; F222-Q650 HydrophobicContact CD1-CB 4.11Å; F222-Q650 HydrophobicContact CD1-CG 4.32Å; F222-A652 HydrophobicContact CE1-CB 3.98Å; F222-A652 HydrophobicContact CZ-CB 3.97Å
223	P	86.5	Confident	90	Very high	38 Å²	38	39.3 Å²	39.3	25%	0.247	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-33.5	-176.9	26	-34.1	0	0	0	112.3	R219 S227 E653	R219-P223 WeakPolarHBondContact O-CA 3.38Å; R219-P223 WeakPolarHBondContact O-CB 3.32Å; P223-S227 WeakPolarHBondContact O-CA 3.09Å; P223-S227 WeakPolarHBondContact O-CB 3.27Å; P223-S227 PolarHBondContact O-N 3.47Å; P223-S227 VanDerWaalsContact O-N 3.11Å; P223-S227 PolarHBondContact O-OG 2.96Å; P223-E653 VanDerWaalsContact CD-OE1 3.29Å; P223-E653 WeakPolarHBondContact CD-OE1 3.46Å; P223-E653 VanDerWaalsContact CG-CD 3.46Å; P223-E653 WeakPolarHBondContact CG-OE1 3.38Å; P223-E653 WeakPolarHBondContact CG-OE2 3.37Å
224	Q	85	Confident	90	Very high	160 Å²	160	39.7 Å²	39.7	75%	0.748	21%	0.207	S	C	*	.	H	α-helix	trans	-64.3	-47.7	178.2	-56.7	-176.1	29.8	0	0	111.9	F222	F222-Q224 VanDerWaalsContact C-N 3.25Å; F222-Q224 PolarHBondContact O-N 2.83Å
225	A	83.9	Confident	90	Very high	50 Å²	50	39.9 Å²	39.9	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-81.4	-32	-179.3	0	0	0	0	0	114.6	F222 L648	F222-A225 HydrophobicContact CB-CB 4.41Å; F222-A225 PolarHBondContact O-N 3.48Å; A225-L648 HydrophobicContact CB-CD1 4.29Å
226	L	88.3	Confident	90.2	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-125.2	-2.4	-163.4	-56.4	179.3	0	0	0	115.6	L218 R219 F222 D228 Q229 I231 L577 L648	L218-L226 HydrophobicContact CB-CD1 3.84Å; R219-L226 WeakPolarHBondContact CG-O 3.37Å; F222-L226 HydrophobicContact CB-CB 4.5Å; F222-L226 HydrophobicContact CB-CD1 3.91Å; F222-L226 HydrophobicContact CB-CG 4.06Å; F222-L226 HydrophobicContact CD2-CD1 3.98Å; F222-L226 HydrophobicContact CG-CD1 4.35Å; F222-L226 WeakPolarHBondContact O-CB 3.39Å; F222-L226 PolarHBondContact O-N 3.23Å; L226-D228 VanDerWaalsContact C-N 3.29Å; L226-D228 PolarHBondContact O-N 3.32Å; L226-Q229 VanDerWaalsContact CD2-OE1 3.29Å; L226-Q229 PolarHBondContact O-N 2.99Å; L226-I231 HydrophobicContact CB-CD1 4.49Å; L226-I231 HydrophobicContact CD1-CD1 3.91Å; L226-L577 HydrophobicContact CD2-CD1 4.31Å; L226-L577 HydrophobicContact CD2-CD2 4.4Å; L226-L648 HydrophobicContact CD1-CD1 3.97Å; L226-L648 HydrophobicContact CD2-CD1 4.34Å; L226-L648 HydrophobicContact CG-CD1 4.19Å
227	S	76.2	Confident	90.3	Very high	59 Å²	59	39.5 Å²	39.5	41%	0.413	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-45	-170	35.7	0	0	0	0	115.9	R219 P223	R219-S227 WeakPolarHBondContact CD-O 3.45Å; R219-S227 WeakPolarHBondContact CG-O 3.33Å; R219-S227 PolarHBondContact NE-O 2.66Å; R219-S227 PolarHBondContact NH1-O 3.03Å; P223-S227 WeakPolarHBondContact O-CA 3.09Å; P223-S227 WeakPolarHBondContact O-CB 3.27Å; P223-S227 PolarHBondContact O-N 3.47Å; P223-S227 VanDerWaalsContact O-N 3.11Å; P223-S227 PolarHBondContact O-OG 2.96Å
228	D	79.3	Confident	90.5	Very high	142 Å²	142	38.1 Å²	38.1	76%	0.759	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-5.6	179.4	-83.4	-38.2	0	0	0	115.1	R219 L226	R219-D228 PolarHBondContact NH2-O 3.11Å; L226-D228 VanDerWaalsContact C-N 3.29Å; L226-D228 PolarHBondContact O-N 3.32Å
229	Q	84	Confident	90.7	Very high	57 Å²	57	38.2 Å²	38.2	27%	0.266	20%	0.202	S	C	.	.			trans	-75.8	138.5	-175.3	-164	168.3	12.7	0	0	112.7	R219 L226 L577	R219-Q229 VanDerWaalsContact CZ-O 3.27Å; R219-Q229 PolarHBondContact NE-O 2.66Å; R219-Q229 PolarHBondContact NH2-O 3.48Å; L226-Q229 VanDerWaalsContact CD2-OE1 3.29Å; L226-Q229 PolarHBondContact O-N 2.99Å; Q229-L577 HydrophobicContact CG-CD2 4.5Å
230	L	90.3	Very high	91	Very high	75 Å²	75	34.7 Å²	34.7	39%	0.393	19%	0.189	S	C	.	.			trans	-98.7	100.3	177.7	-179.4	63.7	0	0	0	110.7	W97 T211 T215 S232 R561	W97-L230 HydrophobicContact CH2-CD1 3.34Å; W97-L230 HydrophobicContact CZ2-CD1 3.72Å; W97-L230 HydrophobicContact CZ3-CD1 4.35Å; T211-L230 HydrophobicContact CG2-CD1 4.25Å; T215-L230 HydrophobicContact CG2-CD1 4.33Å; L230-S232 PolarHBondContact O-N 3.29Å; L230-R561 VanDerWaalsContact CG-NH1 3.34Å; L230-R561 PolarHBondContact O-NH1 3.03Å
231	I	94	Very high	91.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.			trans	-90.5	84.3	-171.5	-44.5	174.4	0	0	0	108.7	Q214 T215 L218 L226 Y563 L577 L581	Q214-I231 HydrophobicContact CG-CB 4.29Å; Q214-I231 HydrophobicContact CG-CG2 4.05Å; Q214-I231 WeakPolarHBondContact CG-O 3.34Å; Q214-I231 PolarHBondContact NE2-O 3.09Å; T215-I231 WeakPolarHBondContact OG1-CA 3.12Å; T215-I231 WeakPolarHBondContact OG1-CB 3.36Å; T215-I231 PolarHBondContact OG1-N 2.86Å; T215-I231 PolarHBondContact OG1-O 3.09Å; L218-I231 HydrophobicContact CB-CD1 3.72Å; L218-I231 HydrophobicContact CD1-CD1 3.83Å; L218-I231 HydrophobicContact CD1-CG2 4.45Å; L218-I231 HydrophobicContact CG-CD1 4.43Å; L226-I231 HydrophobicContact CB-CD1 4.49Å; L226-I231 HydrophobicContact CD1-CD1 3.91Å; I231-Y563 WeakPolarHBondContact CA-OH 3.41Å; I231-Y563 WeakPolarHBondContact CG2-OH 3.33Å; I231-L577 HydrophobicContact CD1-CD1 4.47Å; I231-L577 HydrophobicContact CG1-CD2 4.47Å; I231-L577 HydrophobicContact CG2-CD1 4.27Å; I231-L577 HydrophobicContact CG2-CD2 4.48Å; I231-L581 HydrophobicContact CG2-CD1 3.8Å; I231-L581 HydrophobicContact CG2-CD2 4Å; I231-L581 HydrophobicContact CG2-CG 4.48Å
232	S	95.7	Very high	91.7	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.042	18%	0.175	C	C	.	.			trans	-75.4	147.8	179.6	66.6	0	0	0	0	114.1	T211 Q214 L230 Q237 R561 Y563	T211-S232 WeakPolarHBondContact OG1-CA 3.46Å; Q214-S232 PolarHBondContact NE2-O 2.96Å; Q214-S232 VanDerWaalsContact NE2-O 3.08Å; L230-S232 PolarHBondContact O-N 3.29Å; S232-Q237 PolarHBondContact OG-NE2 3.32Å; S232-Q237 PolarHBondContact OG-OE1 3.44Å; S232-R561 PolarHBondContact OG-NH1 3.06Å; S232-Y563 PolarHBondContact N-OH 3.37Å; S232-Y563 WeakPolarHBondContact O-CE2 3.33Å; S232-Y563 PolarHBondContact O-OH 2.95Å
233	Y	97.2	Very high	92	Very high	8 Å²	8	31.4 Å²	31.4	3%	0.031	18%	0.178	C	C	.	.			trans	-109.6	146.7	159.1	179.6	-86.2	0	0	0	108.4	I206 F210 T211 F238 M592	I206-Y233 HydrophobicContact CG2-CD1 4.27Å; I206-Y233 HydrophobicContact CG2-CE1 3.82Å; F210-Y233 VanDerWaalsContact CB-CB 3.41Å; F210-Y233 HydrophobicContact CB-CD1 3.61Å; F210-Y233 HydrophobicContact CB-CD2 4.24Å; F210-Y233 HydrophobicContact CB-CG 3.47Å; F210-Y233 VanDerWaalsContact CB-CG 3.47Å; F210-Y233 HydrophobicContact CD2-CD1 4.05Å; F210-Y233 HydrophobicContact CD2-CE1 4.21Å; F210-Y233 AromaticContact CG-CD1 3.94Å; F210-Y233 HydrophobicContact CG-CD1 3.94Å; F210-Y233 HydrophobicContact CG-CD2 4.46Å; F210-Y233 HydrophobicContact CG-CE1 4.39Å; F210-Y233 HydrophobicContact CG-CG 4.01Å; T211-Y233 PolarHBondContact OG1-N 3.35Å; T211-Y233 PolarHBondContact OG1-O 3.21Å; Y233-F238 HydrophobicContact CD2-CB 4.02Å; Y233-F238 AromaticContact CD2-CD2 3.89Å; Y233-F238 HydrophobicContact CD2-CD2 3.89Å; Y233-F238 AromaticContact CD2-CG 3.95Å; Y233-F238 HydrophobicContact CD2-CG 3.95Å; Y233-F238 HydrophobicContact CE2-CB 3.48Å; Y233-F238 VanDerWaalsContact CE2-CB 3.48Å; Y233-F238 AromaticContact CE2-CD1 3.88Å; Y233-F238 HydrophobicContact CE2-CD1 3.88Å; Y233-F238 AromaticContact CE2-CD2 3.87Å; Y233-F238 HydrophobicContact CE2-CD2 3.87Å; Y233-F238 AromaticContact CE2-CG 3.45Å; Y233-F238 HydrophobicContact CE2-CG 3.45Å; Y233-F238 VanDerWaalsContact CE2-CG 3.45Å; Y233-M592 HydrophobicContact CD2-CE 4.41Å; Y233-M592 HydrophobicContact CE1-CE 4.28Å; Y233-M592 HydrophobicContact CE2-CE 3.52Å; Y233-M592 HydrophobicContact CE2-CG 4.5Å; Y233-M592 HydrophobicContact CE2-SD 3.68Å; Y233-M592 VanDerWaalsContact CZ-CE 3.47Å; Y233-M592 WeakPolarHBondContact OH-CE 3.36Å
234	G	95.6	Very high	92.5	Very high	15 Å²	15	29.6 Å²	29.6	16%	0.155	17%	0.166	C	C	.	.			trans	-147.6	140	170.4	0	0	0	0	0	109.8	C236 Q237 F238	G234-C236 VanDerWaalsContact C-N 3.28Å; G234-C236 PolarHBondContact O-N 2.84Å; G234-Q237 PolarHBondContact O-N 3.13Å; G234-Q237 VanDerWaalsContact O-N 3.12Å; G234-F238 WeakPolarHBondContact O-CB 3.17Å; G234-F238 PolarHBondContact O-N 3.31Å
235	S	96	Very high	93.1	Very high	6 Å²	6	22 Å²	22	4%	0.042	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-44.1	-177.3	57.2	0	0	0	0	113.7	D203 P239 R598	D203-S235 WeakPolarHBondContact OD1-CB 3.47Å; D203-S235 PolarHBondContact OD1-OG 2.95Å; S235-P239 WeakPolarHBondContact O-CD 3.5Å; S235-P239 WeakPolarHBondContact O-CG 3.16Å; S235-R598 PolarHBondContact OG-NH1 2.82Å
236	C	97.1	Very high	93.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-28.9	172.9	-161.2	0	0	0	0	113.7	G234 F238 P239 T240 H554 R598	G234-C236 VanDerWaalsContact C-N 3.28Å; G234-C236 PolarHBondContact O-N 2.84Å; C236-F238 PolarHBondContact O-N 3.39Å; C236-P239 WeakPolarHBondContact O-CD 3.41Å; C236-P239 WeakPolarHBondContact O-CG 3.29Å; C236-T240 WeakPolarHBondContact O-CB 3.16Å; C236-T240 PolarHBondContact O-N 3.46Å; C236-T240 VanDerWaalsContact O-N 3.15Å; C236-T240 PolarHBondContact O-OG1 3.14Å; C236-H554 PolarHBondContact SG-CD2 3.11Å; C236-R598 HydrophobicContact CB-CG 3.82Å
237	Q	95.7	Very high	94.2	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.065	13%	0.132	C	C	.	.	H	α-helix	trans	-55.2	-42.4	177.5	-173.7	-168.1	-4.8	0	0	111.1	S232 G234 L241 T557 I558 Y563	S232-Q237 PolarHBondContact OG-NE2 3.32Å; S232-Q237 PolarHBondContact OG-OE1 3.44Å; G234-Q237 PolarHBondContact O-N 3.13Å; G234-Q237 VanDerWaalsContact O-N 3.12Å; Q237-L241 PolarHBondContact O-N 3.21Å; Q237-L241 VanDerWaalsContact O-N 3.11Å; Q237-T557 HydrophobicContact CG-CG2 3.9Å; Q237-I558 HydrophobicContact CG-CG2 3.56Å; Q237-I558 WeakPolarHBondContact O-CG2 3.38Å; Q237-Y563 VanDerWaalsContact NE2-CE2 3.25Å
238	F	97.2	Very high	95.1	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-71.9	-49.3	-173.7	-162.3	-100	0	0	0	114.4	Y233 G234 C236 T240 L241 G242 L581 V582 Y585 M592	Y233-F238 HydrophobicContact CD2-CB 4.02Å; Y233-F238 AromaticContact CD2-CD2 3.89Å; Y233-F238 HydrophobicContact CD2-CD2 3.89Å; Y233-F238 AromaticContact CD2-CG 3.95Å; Y233-F238 HydrophobicContact CD2-CG 3.95Å; Y233-F238 HydrophobicContact CE2-CB 3.48Å; Y233-F238 VanDerWaalsContact CE2-CB 3.48Å; Y233-F238 AromaticContact CE2-CD1 3.88Å; Y233-F238 HydrophobicContact CE2-CD1 3.88Å; Y233-F238 AromaticContact CE2-CD2 3.87Å; Y233-F238 HydrophobicContact CE2-CD2 3.87Å; Y233-F238 AromaticContact CE2-CG 3.45Å; Y233-F238 HydrophobicContact CE2-CG 3.45Å; Y233-F238 VanDerWaalsContact CE2-CG 3.45Å; G234-F238 WeakPolarHBondContact O-CB 3.17Å; G234-F238 PolarHBondContact O-N 3.31Å; C236-F238 PolarHBondContact O-N 3.39Å; F238-T240 VanDerWaalsContact C-N 3.27Å; F238-T240 PolarHBondContact O-N 3.33Å; F238-L241 WeakPolarHBondContact O-CB 3.38Å; F238-L241 PolarHBondContact O-N 3.41Å; F238-G242 PolarHBondContact O-N 3.27Å; F238-L581 HydrophobicContact CE2-CB 4.28Å; F238-V582 HydrophobicContact CE2-CG2 4.25Å; F238-V582 HydrophobicContact CZ-CG2 4.03Å; F238-Y585 HydrophobicContact CE1-CD2 4.32Å; F238-Y585 HydrophobicContact CE1-CG 4.48Å; F238-Y585 AromaticContact CE2-CD2 3.79Å; F238-Y585 HydrophobicContact CE2-CD2 3.79Å; F238-Y585 HydrophobicContact CE2-CE2 4.25Å; F238-Y585 AromaticContact CZ-CD2 3.46Å; F238-Y585 HydrophobicContact CZ-CD2 3.46Å; F238-Y585 VanDerWaalsContact CZ-CD2 3.46Å; F238-Y585 HydrophobicContact CZ-CE2 4.33Å; F238-Y585 AromaticContact CZ-CG 3.98Å; F238-Y585 HydrophobicContact CZ-CG 3.98Å; F238-M592 HydrophobicContact CD1-CB 4.49Å; F238-M592 HydrophobicContact CD1-CG 4.39Å; F238-M592 WeakPolarHBondContact CD1-O 3.34Å; F238-M592 HydrophobicContact CE1-CB 4.09Å; F238-M592 HydrophobicContact CE1-CG 4.36Å; F238-M592 HydrophobicContact CE1-SD 4.43Å
239	P	97.7	Very high	95.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-66.5	-27.1	172.6	25.1	-34.4	0	0	0	113.4	S235 C236 L241 G242 F243 I545 S593 P595 R598	S235-P239 WeakPolarHBondContact O-CD 3.5Å; S235-P239 WeakPolarHBondContact O-CG 3.16Å; C236-P239 WeakPolarHBondContact O-CD 3.41Å; C236-P239 WeakPolarHBondContact O-CG 3.29Å; P239-L241 VanDerWaalsContact C-N 3.34Å; P239-G242 WeakPolarHBondContact O-CA 3.42Å; P239-G242 PolarHBondContact O-N 3.49Å; P239-G242 VanDerWaalsContact O-N 3.12Å; P239-F243 WeakPolarHBondContact O-CD2 3.43Å; P239-F243 PolarHBondContact O-N 3.44Å; P239-F243 VanDerWaalsContact O-N 3.11Å; P239-I545 HydrophobicContact CB-CD1 4.02Å; P239-I545 HydrophobicContact CG-CD1 3.92Å; P239-S593 WeakPolarHBondContact CA-O 3.29Å; P239-P595 HydrophobicContact CB-CB 4.39Å; P239-R598 HydrophobicContact CG-CB 4.46Å
240	T	98.2	Very high	96.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-40.6	171.9	-54.2	0	0	0	0	111.5	C236 F238 L536 M540 I555 I558	C236-T240 WeakPolarHBondContact O-CB 3.16Å; C236-T240 PolarHBondContact O-N 3.46Å; C236-T240 VanDerWaalsContact O-N 3.15Å; C236-T240 PolarHBondContact O-OG1 3.14Å; F238-T240 VanDerWaalsContact C-N 3.27Å; F238-T240 PolarHBondContact O-N 3.33Å; T240-L536 HydrophobicContact CG2-CD1 4.26Å; T240-L536 HydrophobicContact CG2-CD2 3.94Å; T240-L536 HydrophobicContact CG2-CG 4.31Å; T240-M540 HydrophobicContact CG2-CE 4.17Å; T240-M540 HydrophobicContact CG2-SD 3.63Å; T240-M540 WeakPolarHBondContact OG1-CE 3.44Å; T240-I555 HydrophobicContact CG2-CG1 3.98Å; T240-I558 HydrophobicContact CG2-CD1 3.97Å
241	L	98.1	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-38.7	169.2	176.6	63.3	0	0	0	112	Q237 F238 P239 F243 V244 V245 I558 Y563 V564 V582	Q237-L241 PolarHBondContact O-N 3.21Å; Q237-L241 VanDerWaalsContact O-N 3.11Å; F238-L241 WeakPolarHBondContact O-CB 3.38Å; F238-L241 PolarHBondContact O-N 3.41Å; P239-L241 VanDerWaalsContact C-N 3.34Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.01Å; L241-V244 PolarHBondContact O-N 2.77Å; L241-V245 HydrophobicContact CD1-CG2 4.25Å; L241-V245 HydrophobicContact CG-CG2 4.36Å; L241-V245 PolarHBondContact O-N 2.95Å; L241-I558 HydrophobicContact CB-CG2 4.08Å; L241-Y563 HydrophobicContact CD2-CD2 3.8Å; L241-Y563 HydrophobicContact CD2-CG 4.15Å; L241-V564 HydrophobicContact CD1-CG1 3.67Å; L241-V582 HydrophobicContact CD2-CG2 3.85Å; L241-V582 HydrophobicContact CG-CG2 3.81Å
242	G	97.7	Very high	96.4	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	11%	0.111	C	C	.	.	H	α-helix	trans	-52.5	-44.6	177.7	0	0	0	0	0	113.3	F238 P239 V244 V245 E246	F238-G242 PolarHBondContact O-N 3.27Å; P239-G242 WeakPolarHBondContact O-CA 3.42Å; P239-G242 PolarHBondContact O-N 3.49Å; P239-G242 VanDerWaalsContact O-N 3.12Å; G242-V244 VanDerWaalsContact C-N 3.34Å; G242-V244 PolarHBondContact O-N 2.88Å; G242-V245 PolarHBondContact O-N 2.9Å; G242-E246 VanDerWaalsContact O-CB 3.31Å; G242-E246 WeakPolarHBondContact O-CB 3.38Å; G242-E246 PolarHBondContact O-N 3.08Å
243	F	98.1	Very high	96.3	Very high	13 Å²	13	28.8 Å²	28.8	6%	0.057	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-38.5	174.9	-68.9	-50.2	0	0	0	113.7	P239 L241 R247 L531 L536 L539 M540 H543 I545 P595	P239-F243 WeakPolarHBondContact O-CD2 3.43Å; P239-F243 PolarHBondContact O-N 3.44Å; P239-F243 VanDerWaalsContact O-N 3.11Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.01Å; F243-R247 PolarHBondContact O-N 3.47Å; F243-L531 HydrophobicContact CB-CD1 4.11Å; F243-L536 HydrophobicContact CB-CD1 3.68Å; F243-L536 HydrophobicContact CD2-CD1 3.83Å; F243-L536 HydrophobicContact CG-CD1 4.21Å; F243-L539 HydrophobicContact CB-CD1 4.04Å; F243-L539 HydrophobicContact CD1-CB 4.2Å; F243-L539 HydrophobicContact CD1-CD1 4.09Å; F243-L539 HydrophobicContact CD2-CB 4.05Å; F243-L539 HydrophobicContact CE1-CB 4.21Å; F243-L539 HydrophobicContact CE2-CB 4.05Å; F243-L539 HydrophobicContact CG-CB 4.12Å; F243-L539 HydrophobicContact CG-CD1 4.08Å; F243-L539 HydrophobicContact CZ-CB 4.14Å; F243-M540 HydrophobicContact CD2-CG 4.31Å; F243-M540 HydrophobicContact CE2-CG 4.1Å; F243-H543 AromaticContact CE1-CD2 3.66Å; F243-H543 HydrophobicContact CZ-CB 3.87Å; F243-H543 AromaticContact CZ-CD2 3.54Å; F243-H543 AromaticContact CZ-CG 3.76Å; F243-I545 HydrophobicContact CE2-CD1 3.99Å; F243-I545 HydrophobicContact CE2-CG1 4.49Å; F243-P595 HydrophobicContact CE1-CG 4.29Å; F243-P595 HydrophobicContact CZ-CB 4.12Å; F243-P595 HydrophobicContact CZ-CG 3.87Å
244	V	98.1	Very high	96.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-71.2	-41.8	179.4	-179.8	0	0	0	0	110.7	L241 G242 F248 L531 L536 I558 V564 L572	L241-V244 PolarHBondContact O-N 2.77Å; G242-V244 VanDerWaalsContact C-N 3.34Å; G242-V244 PolarHBondContact O-N 2.88Å; V244-F248 WeakPolarHBondContact O-CB 3.49Å; V244-F248 PolarHBondContact O-N 2.85Å; V244-L531 HydrophobicContact CG2-CD1 4.19Å; V244-L536 HydrophobicContact CG2-CD1 4.32Å; V244-L536 HydrophobicContact CG2-CD2 3.88Å; V244-I558 HydrophobicContact CG2-CD1 4.41Å; V244-V564 HydrophobicContact CB-CG1 4.1Å; V244-V564 HydrophobicContact CG1-CG1 3.74Å; V244-V564 HydrophobicContact CG2-CG1 4.26Å; V244-L572 HydrophobicContact CG1-CB 3.95Å; V244-L572 WeakPolarHBondContact CG1-O 3.48Å; V244-L572 HydrophobicContact CG2-CB 4.12Å; V244-L572 HydrophobicContact CG2-CD1 4.3Å
245	V	97.1	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-40.4	174.7	168.3	0	0	0	0	111.8	L241 G242 F248 R249 P574 M579 V582	L241-V245 HydrophobicContact CD1-CG2 4.25Å; L241-V245 HydrophobicContact CG-CG2 4.36Å; L241-V245 PolarHBondContact O-N 2.95Å; G242-V245 PolarHBondContact O-N 2.9Å; V245-F248 PolarHBondContact O-N 3.39Å; V245-R249 HydrophobicContact CG1-CG 4.49Å; V245-R249 WeakPolarHBondContact O-CB 3.41Å; V245-R249 WeakPolarHBondContact O-CG 3.49Å; V245-R249 PolarHBondContact O-N 3.06Å; V245-P574 HydrophobicContact CG2-CB 3.78Å; V245-P574 HydrophobicContact CG2-CG 4.29Å; V245-M579 HydrophobicContact CG1-CE 4.26Å; V245-M579 HydrophobicContact CG1-SD 3.61Å; V245-M579 HydrophobicContact CG2-SD 4.41Å; V245-V582 HydrophobicContact CB-CB 4.2Å; V245-V582 HydrophobicContact CB-CG1 3.99Å; V245-V582 HydrophobicContact CB-CG2 4.31Å; V245-V582 HydrophobicContact CG1-CB 3.96Å; V245-V582 HydrophobicContact CG1-CG1 3.59Å; V245-V582 HydrophobicContact CG2-CB 4.06Å; V245-V582 HydrophobicContact CG2-CG1 4.41Å; V245-V582 HydrophobicContact CG2-CG2 3.95Å
246	E	96.7	Very high	96	Very high	57 Å²	57	37.9 Å²	37.9	27%	0.266	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-48.2	176.2	-176.5	154.7	-128.5	0	0	111.2	G242 F248 R249 E250 K594	G242-E246 VanDerWaalsContact O-CB 3.31Å; G242-E246 WeakPolarHBondContact O-CB 3.38Å; G242-E246 PolarHBondContact O-N 3.08Å; E246-F248 PolarHBondContact O-N 3.24Å; E246-R249 PolarHBondContact O-N 3.34Å; E246-E250 WeakPolarHBondContact O-CG 3.36Å; E246-E250 PolarHBondContact O-N 2.89Å; E246-K594 IonicContact OE1-NZ 3.88Å; E246-K594 PolarHBondContact OE1-NZ 2.9Å; E246-K594 IonicContact OE2-NZ 3.86Å; E246-K594 PolarHBondContact OE2-NZ 3.36Å
247	R	97.3	Very high	95.9	Very high	51 Å²	51	40.7 Å²	40.7	19%	0.192	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-40	174	175.9	52.8	53	66.3	15.4	112.4	F243 R249 E250 V251 P529 L530 L531	F243-R247 PolarHBondContact O-N 3.47Å; R247-R249 VanDerWaalsContact C-N 3.33Å; R247-R249 PolarHBondContact O-N 3.37Å; R247-E250 IonicContact CZ-OE2 3.03Å; R247-E250 IonicContact NE-OE2 3.79Å; R247-E250 PolarHBondContact NE-OE2 2.89Å; R247-E250 IonicContact NH2-OE2 2.56Å; R247-E250 PolarHBondContact NH2-OE2 2.91Å; R247-E250 WeakPolarHBondContact O-CB 3.5Å; R247-E250 PolarHBondContact O-N 3.11Å; R247-V251 WeakPolarHBondContact O-CG2 3.18Å; R247-V251 PolarHBondContact O-N 3.23Å; R247-V251 VanDerWaalsContact O-N 3.07Å; R247-P529 VanDerWaalsContact CD-O 3.25Å; R247-P529 WeakPolarHBondContact CD-O 3.43Å; R247-P529 PolarHBondContact NH1-O 3.2Å; R247-L530 HydrophobicContact CG-CD2 4.49Å; R247-L531 HydrophobicContact CB-CD1 4.3Å; R247-L531 HydrophobicContact CB-CD2 4.31Å; R247-L531 HydrophobicContact CB-CG 3.86Å; R247-L531 HydrophobicContact CG-CD2 4.29Å; R247-L531 HydrophobicContact CG-CG 4.01Å
248	F	96.2	Very high	95.9	Very high	23 Å²	23	42.9 Å²	42.9	10%	0.101	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-44.2	177.6	-171.7	-86	0	0	0	111.2	V244 V245 E246 E250 V251 D252 L530 V573 P574 M579 W1130	V244-F248 WeakPolarHBondContact O-CB 3.49Å; V244-F248 PolarHBondContact O-N 2.85Å; V245-F248 PolarHBondContact O-N 3.39Å; E246-F248 PolarHBondContact O-N 3.24Å; F248-E250 PolarHBondContact O-N 3.49Å; F248-V251 PolarHBondContact O-N 3.35Å; F248-V251 VanDerWaalsContact O-N 3.13Å; F248-D252 HydrophobicContact CD1-CB 4.46Å; F248-D252 HydrophobicContact CE1-CB 4.38Å; F248-D252 WeakPolarHBondContact O-CB 2.96Å; F248-D252 PolarHBondContact O-N 3.46Å; F248-L530 HydrophobicContact CB-CD2 4.47Å; F248-L530 HydrophobicContact CD2-CD2 3.98Å; F248-V573 HydrophobicContact CD2-CG1 4.27Å; F248-V573 HydrophobicContact CE2-CG1 3.97Å; F248-P574 HydrophobicContact CB-CG 3.69Å; F248-P574 HydrophobicContact CD1-CG 4.18Å; F248-P574 VanDerWaalsContact CD2-CD 3.48Å; F248-P574 HydrophobicContact CD2-CG 3.94Å; F248-P574 HydrophobicContact CG-CG 3.66Å; F248-M579 HydrophobicContact CB-CE 4.36Å; F248-M579 HydrophobicContact CD1-CE 3.39Å; F248-M579 HydrophobicContact CE1-CE 3.96Å; F248-M579 HydrophobicContact CG-CE 4.12Å; F248-W1130 AromaticContact CZ-CD2 3.98Å; F248-W1130 HydrophobicContact CZ-CD2 3.98Å; F248-W1130 HydrophobicContact CZ-CE3 4.43Å; F248-W1130 HydrophobicContact CZ-CG 4.1Å
249	R	95	Very high	95.9	Very high	55 Å²	55	44 Å²	44	21%	0.208	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-38.9	173	-73.2	164.2	159.9	-177.7	-13.8	112.6	V245 E246 R247 V251 Q253 E583 D586	V245-R249 HydrophobicContact CG1-CG 4.49Å; V245-R249 WeakPolarHBondContact O-CB 3.41Å; V245-R249 WeakPolarHBondContact O-CG 3.49Å; V245-R249 PolarHBondContact O-N 3.06Å; E246-R249 PolarHBondContact O-N 3.34Å; R247-R249 VanDerWaalsContact C-N 3.33Å; R247-R249 PolarHBondContact O-N 3.37Å; R249-V251 PolarHBondContact O-N 3.43Å; R249-Q253 VanDerWaalsContact O-CB 3.3Å; R249-Q253 WeakPolarHBondContact O-CB 3.21Å; R249-Q253 WeakPolarHBondContact O-CG 3.35Å; R249-Q253 PolarHBondContact O-N 2.85Å; R249-E583 IonicContact CZ-OE1 2.96Å; R249-E583 VanDerWaalsContact CZ-OE1 3.26Å; R249-E583 IonicContact NE-OE1 2.75Å; R249-E583 PolarHBondContact NE-OE1 2.84Å; R249-E583 IonicContact NH2-OE1 3.95Å; R249-E583 PolarHBondContact NH2-OE1 3.15Å; R249-D586 IonicContact CZ-OD2 3.17Å; R249-D586 IonicContact NH1-OD2 2.84Å; R249-D586 PolarHBondContact NH1-OD2 2.74Å; R249-D586 IonicContact NH2-OD2 2.67Å
250	E	94.7	Very high	96	Very high	92 Å²	92	45.2 Å²	45.2	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-27.4	173.4	-74.1	-179.3	151.6	0	0	113.2	E246 R247 F248 P528	E246-E250 WeakPolarHBondContact O-CG 3.36Å; E246-E250 PolarHBondContact O-N 2.89Å; R247-E250 IonicContact CZ-OE2 3.03Å; R247-E250 IonicContact NE-OE2 3.79Å; R247-E250 PolarHBondContact NE-OE2 2.89Å; R247-E250 IonicContact NH2-OE2 2.56Å; R247-E250 PolarHBondContact NH2-OE2 2.91Å; R247-E250 WeakPolarHBondContact O-CB 3.5Å; R247-E250 PolarHBondContact O-N 3.11Å; F248-E250 PolarHBondContact O-N 3.49Å; E250-P528 HydrophobicContact CB-CG 4.09Å
251	V	93.8	Very high	95.9	Very high	24 Å²	24	46.9 Å²	46.9	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-85.6	-48.2	176.9	173.3	0	0	0	0	111.5	R247 F248 R249 Q253 F254 P527 P528 L530	R247-V251 WeakPolarHBondContact O-CG2 3.18Å; R247-V251 PolarHBondContact O-N 3.23Å; R247-V251 VanDerWaalsContact O-N 3.07Å; F248-V251 PolarHBondContact O-N 3.35Å; F248-V251 VanDerWaalsContact O-N 3.13Å; R249-V251 PolarHBondContact O-N 3.43Å; V251-Q253 VanDerWaalsContact C-N 3.35Å; V251-Q253 PolarHBondContact O-N 3.28Å; V251-F254 VanDerWaalsContact O-CB 3.26Å; V251-F254 WeakPolarHBondContact O-CB 3.44Å; V251-F254 PolarHBondContact O-N 3.32Å; V251-P527 HydrophobicContact CB-CB 4.43Å; V251-P527 HydrophobicContact CG1-CB 4.1Å; V251-P527 HydrophobicContact CG1-CG 4.39Å; V251-P527 HydrophobicContact CG2-CB 4.34Å; V251-P528 HydrophobicContact CG2-CG 4.05Å; V251-P528 WeakPolarHBondContact CG2-O 3.48Å; V251-L530 HydrophobicContact CG2-CD2 4.13Å
252	D	90.7	Very high	95.9	Very high	94 Å²	94	46.9 Å²	46.9	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-41.7	-180	178.7	59.8	0	0	0	112.3	F248 F254	F248-D252 HydrophobicContact CD1-CB 4.46Å; F248-D252 HydrophobicContact CE1-CB 4.38Å; F248-D252 WeakPolarHBondContact O-CB 2.96Å; F248-D252 PolarHBondContact O-N 3.46Å; D252-F254 VanDerWaalsContact C-N 3.28Å; D252-F254 PolarHBondContact O-N 3.32Å
253	Q	93.8	Very high	95.8	Very high	139 Å²	139	46.8 Å²	46.8	65%	0.65	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	7.9	-178.5	-59.4	174.1	14	0	0	113.3	R249 V251 V255	R249-Q253 VanDerWaalsContact O-CB 3.3Å; R249-Q253 WeakPolarHBondContact O-CB 3.21Å; R249-Q253 WeakPolarHBondContact O-CG 3.35Å; R249-Q253 PolarHBondContact O-N 2.85Å; V251-Q253 VanDerWaalsContact C-N 3.35Å; V251-Q253 PolarHBondContact O-N 3.28Å; Q253-V255 PolarHBondContact O-N 3.15Å
254	F	95	Very high	95.8	Very high	73 Å²	73	46.1 Å²	46.1	32%	0.32	23%	0.229	S	C	.	.			trans	-79.6	106.1	-175.3	-169.8	-91.1	0	0	0	112.7	V251 D252 S256 C526 P527	V251-F254 VanDerWaalsContact O-CB 3.26Å; V251-F254 WeakPolarHBondContact O-CB 3.44Å; V251-F254 PolarHBondContact O-N 3.32Å; D252-F254 VanDerWaalsContact C-N 3.28Å; D252-F254 PolarHBondContact O-N 3.32Å; F254-S256 PolarHBondContact O-N 2.99Å; F254-C526 VanDerWaalsContact CZ-C 3.47Å; F254-C526 VanDerWaalsContact CZ-O 3.23Å; F254-C526 WeakPolarHBondContact CZ-O 3.36Å; F254-P527 HydrophobicContact CB-CB 3.81Å; F254-P527 HydrophobicContact CD1-CB 3.91Å; F254-P527 HydrophobicContact CD1-CG 4.41Å; F254-P527 HydrophobicContact CD2-CB 4.28Å; F254-P527 HydrophobicContact CG-CB 3.72Å
255	V	93.9	Very high	95.7	Very high	94 Å²	94	47.1 Å²	47.1	57%	0.57	24%	0.235	S	C	*	.			trans	-79.4	110.2	170.6	-177.5	0	0	0	0	109.7	Q253	Q253-V255 PolarHBondContact O-N 3.15Å
256	S	93.6	Very high	95.6	Very high	54 Å²	54	47.6 Å²	47.6	38%	0.378	24%	0.238	S	C	.	.			trans	-63	135.4	171.5	179.5	0	0	0	0	111.3	F254 T525	F254-S256 PolarHBondContact O-N 2.99Å; S256-T525 PolarHBondContact OG-O 3.09Å
257	E	94.5	Very high	95.4	Very high	60 Å²	60	47.6 Å²	47.6	28%	0.28	24%	0.244	S	C	.	.			trans	-120	129.7	178.3	-73.8	169.9	-127.7	0	0	109.6	F283 Q524 T525 R1163	E257-F283 HydrophobicContact CB-CD1 4Å; E257-F283 HydrophobicContact CB-CE1 3.98Å; E257-Q524 CarbonylContact O-C 3.58Å; E257-Q524 WeakPolarHBondContact O-CA 3.08Å; E257-T525 HydrophobicContact CB-CG2 4.32Å; E257-T525 PolarHBondContact N-OG1 3.33Å; E257-T525 PolarHBondContact O-N 2.97Å; E257-R1163 IonicContact OE1-CZ 2.84Å; E257-R1163 IonicContact OE1-NH1 3.8Å; E257-R1163 PolarHBondContact OE1-NH1 3.06Å; E257-R1163 IonicContact OE1-NH2 3.74Å; E257-R1163 PolarHBondContact OE1-NH2 3.2Å; E257-R1163 IonicContact OE2-NH1 3.64Å
258	P	97	Very high	94.9	Very high	59 Å²	59	49.4 Å²	49.4	38%	0.383	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	147.5	171.5	31.8	-35	0	0	0	110.1	W260 F283 G523	P258-W260 HydrophobicContact CB-CH2 3.71Å; P258-W260 HydrophobicContact CB-CZ2 4.08Å; P258-W260 HydrophobicContact CB-CZ3 4.25Å; P258-W260 HydrophobicContact CG-CH2 3.76Å; P258-W260 HydrophobicContact CG-CZ3 4.3Å; P258-F283 WeakPolarHBondContact O-CD1 3.07Å; P258-G523 WeakPolarHBondContact CA-O 3.4Å
259	F	97.7	Very high	94.4	Very high	31 Å²	31	52.9 Å²	52.9	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.2	172	66.9	-103.4	0	0	0	110.6	R281 L282 F283 T522 G523 Q524 T525	F259-R281 HydrophobicContact CB-CB 4.38Å; F259-R281 HydrophobicContact CD2-CB 3.73Å; F259-R281 VanDerWaalsContact CD2-CD 3.49Å; F259-R281 HydrophobicContact CD2-CG 4.23Å; F259-R281 HydrophobicContact CE2-CB 4.36Å; F259-R281 HydrophobicContact CG-CB 4.3Å; F259-R281 HydrophobicContact CG-CG 4.44Å; F259-L282 CarbonylContact C-O 3.51Å; F259-L282 VanDerWaalsContact CA-O 3.25Å; F259-L282 WeakPolarHBondContact CA-O 3.35Å; F259-L282 WeakPolarHBondContact CB-O 3.47Å; F259-F283 HydrophobicContact CB-CD1 4.01Å; F259-F283 HydrophobicContact CB-CE1 4.01Å; F259-F283 HydrophobicContact CB-CG 4.47Å; F259-F283 HydrophobicContact CB-CZ 4.45Å; F259-T522 CarbonylContact O-C 3.52Å; F259-T522 WeakPolarHBondContact O-CA 3.27Å; F259-G523 PolarHBondContact N-O 2.88Å; F259-G523 PolarHBondContact O-N 3.45Å; F259-Q524 VanDerWaalsContact CE1-O 3.29Å; F259-Q524 WeakPolarHBondContact CE1-O 3.32Å; F259-T525 HydrophobicContact CD1-CG2 4.13Å; F259-T525 HydrophobicContact CE1-CG2 4.45Å
260	W	98	Very high	94	Very high	26 Å²	26	60.1 Å²	60.1	10%	0.098	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.5	178.7	-60.4	-94.1	0	0	0	109.4	P258 R281 L282 Q285 C288 V520 T522	P258-W260 HydrophobicContact CB-CH2 3.71Å; P258-W260 HydrophobicContact CB-CZ2 4.08Å; P258-W260 HydrophobicContact CB-CZ3 4.25Å; P258-W260 HydrophobicContact CG-CH2 3.76Å; P258-W260 HydrophobicContact CG-CZ3 4.3Å; W260-R281 CarbonylContact O-C 3.58Å; W260-R281 WeakPolarHBondContact O-CA 3.29Å; W260-L282 PolarHBondContact N-O 2.95Å; W260-L282 PolarHBondContact O-N 3.39Å; W260-Q285 HydrophobicContact CD2-CB 4.06Å; W260-Q285 HydrophobicContact CD2-CG 4.21Å; W260-Q285 HydrophobicContact CE3-CB 4.1Å; W260-Q285 HydrophobicContact CH2-CB 3.73Å; W260-Q285 HydrophobicContact CH2-CG 4.43Å; W260-Q285 HydrophobicContact CZ2-CB 3.66Å; W260-Q285 HydrophobicContact CZ2-CG 3.84Å; W260-Q285 HydrophobicContact CZ3-CB 3.96Å; W260-C288 HydrophobicContact CB-CB 3.69Å; W260-C288 WeakPolarHBondContact CB-SG 3.27Å; W260-C288 HydrophobicContact CG-CB 4.44Å; W260-V520 HydrophobicContact CB-CG1 3.98Å; W260-V520 HydrophobicContact CG-CG1 4.32Å; W260-T522 PolarHBondContact NE1-OG1 2.93Å
261	R	96.8	Very high	93.7	Very high	36 Å²	36	60 Å²	60	14%	0.136	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.5	171.7	68.1	174.9	-169.8	126.2	5	109.7	V263 E274 G280 R281 L521	R261-V263 HydrophobicContact CG-CG2 4.33Å; R261-V263 VanDerWaalsContact NH1-CG2 3.25Å; R261-E274 IonicContact CZ-OE1 2.77Å; R261-E274 IonicContact NH1-OE1 3.6Å; R261-E274 PolarHBondContact NH1-OE1 2.95Å; R261-E274 IonicContact NH2-OE1 2.69Å; R261-E274 PolarHBondContact NH2-OE1 3.37Å; R261-E274 IonicContact NH2-OE2 2.74Å; R261-G280 VanDerWaalsContact CB-O 3.25Å; R261-G280 WeakPolarHBondContact CB-O 3.39Å; R261-R281 HydrophobicContact CB-CB 4.34Å; R261-L521 HydrophobicContact CG-CB 4.07Å; R261-L521 PolarHBondContact N-O 3.35Å; R261-L521 PolarHBondContact O-N 3.46Å
262	I	97.4	Very high	93.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	140.8	168.6	-51.5	-177	0	0	0	108.3	W277 L295 F478 I518 Q519	I262-W277 HydrophobicContact CB-CB 4.44Å; I262-W277 HydrophobicContact CB-CD2 4.11Å; I262-W277 HydrophobicContact CB-CE3 4.1Å; I262-W277 HydrophobicContact CB-CG 4.33Å; I262-W277 HydrophobicContact CD1-CH2 3.99Å; I262-W277 HydrophobicContact CD1-CZ2 3.99Å; I262-W277 HydrophobicContact CD1-CZ3 4.3Å; I262-W277 HydrophobicContact CG1-CD2 4.26Å; I262-W277 HydrophobicContact CG1-CE3 3.99Å; I262-W277 HydrophobicContact CG1-CH2 4.14Å; I262-W277 HydrophobicContact CG1-CZ2 4.44Å; I262-W277 HydrophobicContact CG1-CZ3 3.93Å; I262-W277 VanDerWaalsContact O-CB 3.31Å; I262-W277 WeakPolarHBondContact O-CB 3.49Å; I262-L295 HydrophobicContact CD1-CD1 3.8Å; I262-L295 HydrophobicContact CG2-CD1 4.16Å; I262-F478 HydrophobicContact CB-CE1 4.03Å; I262-F478 HydrophobicContact CB-CZ 4.32Å; I262-F478 HydrophobicContact CG2-CE1 3.78Å; I262-F478 HydrophobicContact CG2-CZ 3.88Å; I262-I518 HydrophobicContact CG2-CG2 3.69Å; I262-Q519 WeakPolarHBondContact CA-O 3.46Å
263	V	96.9	Very high	93.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.2	174	166.4	0	0	0	0	108.8	R261 E274 Q519 L521	R261-V263 HydrophobicContact CG-CG2 4.33Å; R261-V263 VanDerWaalsContact NH1-CG2 3.25Å; V263-E274 HydrophobicContact CG1-CG 3.46Å; V263-E274 VanDerWaalsContact CG1-CG 3.46Å; V263-Q519 HydrophobicContact CB-CG 3.98Å; V263-Q519 HydrophobicContact CG1-CG 4.26Å; V263-Q519 PolarHBondContact N-O 2.79Å; V263-Q519 PolarHBondContact O-N 2.67Å; V263-L521 HydrophobicContact CB-CD1 4.1Å; V263-L521 HydrophobicContact CG2-CD1 3.78Å; V263-L521 HydrophobicContact CG2-CG 4.48Å
264	V	97	Very high	93.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135	179	176.6	0	0	0	0	108	V266 F275 L449 I451 F478 P515 N517 I518	V264-V266 HydrophobicContact CG1-CG2 4.35Å; V264-F275 HydrophobicContact CB-CB 4.14Å; V264-F275 PolarHBondContact N-O 3.26Å; V264-F275 PolarHBondContact O-N 2.79Å; V264-L449 HydrophobicContact CG1-CD2 4.07Å; V264-I451 HydrophobicContact CB-CD1 4.29Å; V264-I451 HydrophobicContact CG1-CD1 3.85Å; V264-I451 HydrophobicContact CG2-CD1 3.58Å; V264-F478 HydrophobicContact CB-CD1 4.25Å; V264-F478 HydrophobicContact CG2-CD1 3.58Å; V264-F478 HydrophobicContact CG2-CD2 4.16Å; V264-F478 HydrophobicContact CG2-CE1 3.48Å; V264-F478 VanDerWaalsContact CG2-CE1 3.48Å; V264-F478 HydrophobicContact CG2-CE2 4.06Å; V264-F478 HydrophobicContact CG2-CG 3.96Å; V264-F478 HydrophobicContact CG2-CZ 3.74Å; V264-P515 HydrophobicContact CG1-CB 3.39Å; V264-P515 HydrophobicContact CG1-CG 3.54Å; V264-N517 WeakPolarHBondContact CA-O 3.31Å; V264-I518 HydrophobicContact CG2-CG1 4.32Å; V264-I518 HydrophobicContact CG2-CG2 4.29Å
265	T	96.4	Very high	93.9	Very high	22 Å²	22	51.6 Å²	51.6	14%	0.135	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.4	171.2	66.1	0	0	0	0	110.9	T273 P515 D516 N517	T265-T273 WeakPolarHBondContact CA-O 3.49Å; T265-P515 WeakPolarHBondContact O-CB 3.49Å; T265-D516 PolarHBondContact O-N 3.39Å; T265-D516 VanDerWaalsContact O-N 3.08Å; T265-D516 PolarHBondContact OG1-OD2 3.35Å; T265-N517 PolarHBondContact N-O 3.28Å; T265-N517 WeakPolarHBondContact OG1-CB 3.2Å
266	V	95.2	Very high	94	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.8	174.6	-172.2	0	0	0	0	107.6	V264 T273 F275 L449 F507 I513 P515 D516	V264-V266 HydrophobicContact CG1-CG2 4.35Å; V266-T273 PolarHBondContact N-O 2.71Å; V266-T273 PolarHBondContact O-N 3.03Å; V266-F275 HydrophobicContact CB-CE2 4.14Å; V266-F275 HydrophobicContact CG2-CD2 3.97Å; V266-F275 HydrophobicContact CG2-CE2 3.84Å; V266-L449 HydrophobicContact CG2-CD2 4.22Å; V266-F507 HydrophobicContact CB-CZ 4.5Å; V266-F507 HydrophobicContact CG1-CE1 4.14Å; V266-F507 HydrophobicContact CG1-CZ 4.43Å; V266-I513 HydrophobicContact CG1-CG2 3.91Å; V266-I513 HydrophobicContact CG2-CG2 3.74Å; V266-P515 HydrophobicContact CG2-CB 4.19Å; V266-D516 WeakPolarHBondContact CA-OD2 3.3Å
267	S	91.8	Very high	94.2	Very high	57 Å²	57	49.6 Å²	49.6	40%	0.399	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.2	-175.6	-56.9	0	0	0	0	110.3	T272 D516	S267-T272 WeakPolarHBondContact OG-CG2 3.33Å; S267-T272 PolarHBondContact OG-OG1 2.81Å; S267-D516 WeakPolarHBondContact CB-OD2 3.07Å; S267-D516 PolarHBondContact N-OD1 3.39Å; S267-D516 PolarHBondContact N-OD2 3.38Å; S267-D516 PolarHBondContact OG-OD2 3.48Å
268	R	88.1	Confident	94.3	Very high	88 Å²	88	51.4 Å²	51.4	33%	0.332	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	143.5	-173.5	169	175.3	171	159.5	7	109.8	E270 K271 P505 E511	R268-E270 VanDerWaalsContact C-N 3.26Å; R268-E270 PolarHBondContact O-N 3.32Å; R268-K271 PolarHBondContact N-O 2.79Å; R268-K271 WeakPolarHBondContact O-CA 3.19Å; R268-K271 PolarHBondContact O-N 2.87Å; R268-K271 VanDerWaalsContact O-O 3.06Å; R268-P505 HydrophobicContact CB-CB 4.36Å; R268-P505 HydrophobicContact CB-CG 4.25Å; R268-P505 HydrophobicContact CG-CB 4.21Å; R268-E511 IonicContact NH1-OE1 2.74Å; R268-E511 PolarHBondContact NH1-OE1 3.44Å; R268-E511 IonicContact NH1-OE2 2.79Å
269	D	85.6	Confident	94.1	Very high	97 Å²	97	54.6 Å²	54.6	52%	0.519	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	46.2	176.9	-48.3	-28.9	0	0	0	111.7	K271 P505	D269-K271 WeakPolarHBondContact O-CG 3.26Å; D269-K271 PolarHBondContact O-N 3.32Å; D269-K271 VanDerWaalsContact O-N 3.11Å; D269-P505 HydrophobicContact CB-CB 4.44Å
270	E	85.4	Confident	94	Very high	207 Å²	207	55 Å²	55	97%	0.967	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	7.6	-172.7	-57.8	-172	162	0	0	116.3	R268	R268-E270 VanDerWaalsContact C-N 3.26Å; R268-E270 PolarHBondContact O-N 3.32Å
271	K	88.7	Confident	93.9	Very high	89 Å²	89	59 Å²	59	39%	0.387	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.7	-175.2	-63.8	172.3	-166.6	-170.1	0	112.1	R268 D269 D503 P505	R268-K271 PolarHBondContact N-O 2.79Å; R268-K271 WeakPolarHBondContact O-CA 3.19Å; R268-K271 PolarHBondContact O-N 2.87Å; R268-K271 VanDerWaalsContact O-O 3.06Å; D269-K271 WeakPolarHBondContact O-CG 3.26Å; D269-K271 PolarHBondContact O-N 3.32Å; D269-K271 VanDerWaalsContact O-N 3.11Å; K271-D503 WeakPolarHBondContact CE-OD2 3.33Å; K271-D503 IonicContact NZ-OD2 3.35Å; K271-D503 PolarHBondContact NZ-OD2 2.79Å; K271-P505 HydrophobicContact CB-CG 4.42Å
272	T	91.6	Very high	93.9	Very high	96 Å²	96	59.2 Å²	59.2	59%	0.589	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.5	174.1	-59.4	0	0	0	0	111.8	S267	S267-T272 WeakPolarHBondContact OG-CG2 3.33Å; S267-T272 PolarHBondContact OG-OG1 2.81Å
273	T	94.5	Very high	93.9	Very high	3 Å²	3	64 Å²	64	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.2	-179.4	-55.9	0	0	0	0	111.5	T265 V266 F275 S480 M504 P505 F507	T265-T273 WeakPolarHBondContact CA-O 3.49Å; V266-T273 PolarHBondContact N-O 2.71Å; V266-T273 PolarHBondContact O-N 3.03Å; T273-F275 HydrophobicContact CG2-CD2 3.76Å; T273-F275 HydrophobicContact CG2-CE2 3.48Å; T273-F275 VanDerWaalsContact CG2-CE2 3.48Å; T273-F275 HydrophobicContact CG2-CZ 4.02Å; T273-F275 PolarHBondContact O-N 3.21Å; T273-S480 WeakPolarHBondContact CG2-OG 3.49Å; T273-M504 HydrophobicContact CG2-CG 4.16Å; T273-M504 HydrophobicContact CG2-SD 4.28Å; T273-P505 WeakPolarHBondContact OG1-CD 3.23Å; T273-F507 HydrophobicContact CG2-CE2 4.37Å
274	E	95.6	Very high	93.9	Very high	55 Å²	55	67.5 Å²	67.5	26%	0.257	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114	165.2	-166.3	-171.9	127.3	0	0	109	R261 V263 Q276 S480 K1049	R261-E274 IonicContact CZ-OE1 2.77Å; R261-E274 IonicContact NH1-OE1 3.6Å; R261-E274 PolarHBondContact NH1-OE1 2.95Å; R261-E274 IonicContact NH2-OE1 2.69Å; R261-E274 PolarHBondContact NH2-OE1 3.37Å; R261-E274 IonicContact NH2-OE2 2.74Å; V263-E274 HydrophobicContact CG1-CG 3.46Å; V263-E274 VanDerWaalsContact CG1-CG 3.46Å; E274-Q276 PolarHBondContact OE1-NE2 2.65Å; E274-S480 WeakPolarHBondContact O-CB 3.3Å; E274-S480 PolarHBondContact O-OG 3.46Å; E274-K1049 IonicContact OE2-NZ 3.54Å
275	F	97	Very high	93.9	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.2	167.8	-76.9	-93.9	0	0	0	109.7	V264 V266 T273 V447 L449 F478 F507	V264-F275 HydrophobicContact CB-CB 4.14Å; V264-F275 PolarHBondContact N-O 3.26Å; V264-F275 PolarHBondContact O-N 2.79Å; V266-F275 HydrophobicContact CB-CE2 4.14Å; V266-F275 HydrophobicContact CG2-CD2 3.97Å; V266-F275 HydrophobicContact CG2-CE2 3.84Å; T273-F275 HydrophobicContact CG2-CD2 3.76Å; T273-F275 HydrophobicContact CG2-CE2 3.48Å; T273-F275 VanDerWaalsContact CG2-CE2 3.48Å; T273-F275 HydrophobicContact CG2-CZ 4.02Å; T273-F275 PolarHBondContact O-N 3.21Å; F275-V447 HydrophobicContact CE1-CB 4.12Å; F275-V447 HydrophobicContact CE1-CG1 3.86Å; F275-V447 HydrophobicContact CZ-CB 4.5Å; F275-V447 HydrophobicContact CZ-CG1 4.08Å; F275-L449 HydrophobicContact CD1-CB 4.08Å; F275-L449 HydrophobicContact CD2-CD2 4.43Å; F275-L449 HydrophobicContact CE1-CB 4.05Å; F275-L449 HydrophobicContact CG-CD2 4.41Å; F275-F478 HydrophobicContact CB-CB 3.97Å; F275-F507 HydrophobicContact CE2-CE1 4.29Å; F275-F507 HydrophobicContact CE2-CE2 4.19Å; F275-F507 AromaticContact CE2-CZ 3.73Å; F275-F507 HydrophobicContact CE2-CZ 3.73Å; F275-F507 HydrophobicContact CZ-CD2 4.38Å; F275-F507 HydrophobicContact CZ-CE1 4.14Å; F275-F507 AromaticContact CZ-CE2 3.85Å; F275-F507 HydrophobicContact CZ-CE2 3.85Å; F275-F507 AromaticContact CZ-CZ 3.72Å; F275-F507 HydrophobicContact CZ-CZ 3.72Å
276	Q	96	Very high	93.9	Very high	98 Å²	98	76.1 Å²	76.1	46%	0.458	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.6	-174.9	-62.3	-174.5	-5.9	0	0	110.6	E274 Q278 F478 E479	E274-Q276 PolarHBondContact OE1-NE2 2.65Å; Q276-Q278 PolarHBondContact O-N 3.27Å; Q276-F478 CarbonylContact O-C 3.6Å; Q276-F478 WeakPolarHBondContact O-CA 3.41Å; Q276-E479 PolarHBondContact N-O 2.97Å; Q276-E479 PolarHBondContact O-N 2.79Å
277	W	97	Very high	93.9	Very high	8 Å²	8	78.7 Å²	78.7	3%	0.03	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.8	-179.6	-170.9	31.9	0	0	0	111.9	I262 R279 G280 L282 Y291 E476 F478	I262-W277 HydrophobicContact CB-CB 4.44Å; I262-W277 HydrophobicContact CB-CD2 4.11Å; I262-W277 HydrophobicContact CB-CE3 4.1Å; I262-W277 HydrophobicContact CB-CG 4.33Å; I262-W277 HydrophobicContact CD1-CH2 3.99Å; I262-W277 HydrophobicContact CD1-CZ2 3.99Å; I262-W277 HydrophobicContact CD1-CZ3 4.3Å; I262-W277 HydrophobicContact CG1-CD2 4.26Å; I262-W277 HydrophobicContact CG1-CE3 3.99Å; I262-W277 HydrophobicContact CG1-CH2 4.14Å; I262-W277 HydrophobicContact CG1-CZ2 4.44Å; I262-W277 HydrophobicContact CG1-CZ3 3.93Å; I262-W277 VanDerWaalsContact O-CB 3.31Å; I262-W277 WeakPolarHBondContact O-CB 3.49Å; W277-R279 VanDerWaalsContact C-N 3.26Å; W277-R279 HydrophobicContact CD2-CB 3.93Å; W277-R279 HydrophobicContact CD2-CG 4.44Å; W277-R279 HydrophobicContact CE3-CB 4.27Å; W277-R279 HydrophobicContact CG-CB 4.4Å; W277-R279 HydrophobicContact CZ2-CB 4.19Å; W277-R279 HydrophobicContact CZ2-CG 4.17Å; W277-R279 PolarHBondContact O-N 2.96Å; W277-G280 WeakPolarHBondContact O-CA 3.38Å; W277-G280 PolarHBondContact O-N 3.34Å; W277-L282 HydrophobicContact CH2-CD1 3.66Å; W277-L282 HydrophobicContact CH2-CG 3.91Å; W277-L282 HydrophobicContact CZ3-CD1 4.16Å; W277-L282 HydrophobicContact CZ3-CG 3.93Å; W277-Y291 AromaticContact CH2-CD2 3.87Å; W277-Y291 HydrophobicContact CH2-CD2 3.87Å; W277-Y291 HydrophobicContact CH2-CG 4.1Å; W277-Y291 HydrophobicContact CZ2-CD1 4.22Å; W277-Y291 AromaticContact CZ2-CD2 3.93Å; W277-Y291 HydrophobicContact CZ2-CD2 3.93Å; W277-Y291 AromaticContact CZ2-CG 3.78Å; W277-Y291 HydrophobicContact CZ2-CG 3.78Å; W277-E476 PolarHBondContact NE1-OE2 3.42Å; W277-F478 VanDerWaalsContact CA-CD1 3.42Å; W277-F478 HydrophobicContact CB-CD1 3.82Å; W277-F478 HydrophobicContact CB-CE1 3.6Å; W277-F478 HydrophobicContact CB-CZ 4.45Å; W277-F478 AromaticContact CD1-CE1 3.76Å; W277-F478 AromaticContact CD1-CZ 3.77Å; W277-F478 HydrophobicContact CG-CD1 4.39Å; W277-F478 AromaticContact CG-CE1 3.87Å; W277-F478 HydrophobicContact CG-CE1 3.87Å; W277-F478 HydrophobicContact CG-CZ 4.26Å
278	Q	95.8	Very high	94.2	Very high	98 Å²	98	76 Å²	76	46%	0.458	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.5	-173.5	-160.4	179.2	29.1	0	0	112.8	Q276 G280 L477	Q276-Q278 PolarHBondContact O-N 3.27Å; Q278-G280 PolarHBondContact O-N 2.9Å; Q278-L477 HydrophobicContact CB-CB 4.09Å; Q278-L477 VanDerWaalsContact CB-O 3.32Å; Q278-L477 WeakPolarHBondContact CB-O 3.39Å; Q278-L477 PolarHBondContact N-O 3Å; Q278-L477 VanDerWaalsContact OE1-CB 3.24Å
279	R	94.2	Very high	94.5	Very high	126 Å²	126	76.8 Å²	76.8	48%	0.475	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.1	168	-55.6	-167.7	-169	-107.9	3.5	113.2	W277 R281 E476	W277-R279 VanDerWaalsContact C-N 3.26Å; W277-R279 HydrophobicContact CD2-CB 3.93Å; W277-R279 HydrophobicContact CD2-CG 4.44Å; W277-R279 HydrophobicContact CE3-CB 4.27Å; W277-R279 HydrophobicContact CG-CB 4.4Å; W277-R279 HydrophobicContact CZ2-CB 4.19Å; W277-R279 HydrophobicContact CZ2-CG 4.17Å; W277-R279 PolarHBondContact O-N 2.96Å; R279-R281 PolarHBondContact O-N 3.01Å; R279-E476 IonicContact CZ-OE1 2.79Å; R279-E476 IonicContact CZ-OE2 3.13Å; R279-E476 IonicContact NE-OE1 3.57Å; R279-E476 PolarHBondContact NE-OE1 3.32Å; R279-E476 IonicContact NE-OE2 2.66Å; R279-E476 PolarHBondContact NE-OE2 3.43Å; R279-E476 IonicContact NH2-OE1 3.21Å; R279-E476 PolarHBondContact NH2-OE1 2.97Å; R279-E476 IonicContact NH2-OE2 2.74Å
280	G	95.1	Very high	95	Very high	40 Å²	40	74.7 Å²	74.7	41%	0.412	37%	0.371	S	S	.	.			trans	75.6	-76.2	177.7	0	0	0	0	0	113.5	R261 W277 Q278	R261-G280 VanDerWaalsContact CB-O 3.25Å; R261-G280 WeakPolarHBondContact CB-O 3.39Å; W277-G280 WeakPolarHBondContact O-CA 3.38Å; W277-G280 PolarHBondContact O-N 3.34Å; Q278-G280 PolarHBondContact O-N 2.9Å
281	R	95.2	Very high	95.5	Very high	109 Å²	109	68.2 Å²	68.2	41%	0.411	34%	0.338	S	S	.	.			trans	-159.6	150.4	179.8	59.7	176.1	177.1	-172.7	0.9	111.4	F259 W260 R261 R279 F283	F259-R281 HydrophobicContact CB-CB 4.38Å; F259-R281 HydrophobicContact CD2-CB 3.73Å; F259-R281 VanDerWaalsContact CD2-CD 3.49Å; F259-R281 HydrophobicContact CD2-CG 4.23Å; F259-R281 HydrophobicContact CE2-CB 4.36Å; F259-R281 HydrophobicContact CG-CB 4.3Å; F259-R281 HydrophobicContact CG-CG 4.44Å; W260-R281 CarbonylContact O-C 3.58Å; W260-R281 WeakPolarHBondContact O-CA 3.29Å; R261-R281 HydrophobicContact CB-CB 4.34Å; R279-R281 PolarHBondContact O-N 3.01Å; R281-F283 HydrophobicContact CG-CE2 4.43Å
282	L	97.2	Very high	95.9	Very high	41 Å²	41	67.1 Å²	67.1	22%	0.215	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-111	148.7	170.1	-59.9	-177.5	0	0	0	110.6	F259 W260 W277 C287 C288 Y291	F259-L282 CarbonylContact C-O 3.51Å; F259-L282 VanDerWaalsContact CA-O 3.25Å; F259-L282 WeakPolarHBondContact CA-O 3.35Å; F259-L282 WeakPolarHBondContact CB-O 3.47Å; W260-L282 PolarHBondContact N-O 2.95Å; W260-L282 PolarHBondContact O-N 3.39Å; W277-L282 HydrophobicContact CH2-CD1 3.66Å; W277-L282 HydrophobicContact CH2-CG 3.91Å; W277-L282 HydrophobicContact CZ3-CD1 4.16Å; W277-L282 HydrophobicContact CZ3-CG 3.93Å; L282-C287 HydrophobicContact CD1-CB 4.09Å; L282-C288 HydrophobicContact CB-CB 4.33Å; L282-C288 HydrophobicContact CD1-CB 4.18Å; L282-Y291 HydrophobicContact CD1-CD2 3.8Å; L282-Y291 HydrophobicContact CD1-CE2 3.85Å
283	F	97.1	Very high	96.1	Very high	99 Å²	99	66.8 Å²	66.8	43%	0.434	32%	0.324	S	S	.	.	S	Bend	trans	-97.3	7.8	174.9	-70.2	-89.6	0	0	0	112.7	E257 P258 F259 R281 T525	E257-F283 HydrophobicContact CB-CD1 4Å; E257-F283 HydrophobicContact CB-CE1 3.98Å; P258-F283 WeakPolarHBondContact O-CD1 3.07Å; F259-F283 HydrophobicContact CB-CD1 4.01Å; F259-F283 HydrophobicContact CB-CE1 4.01Å; F259-F283 HydrophobicContact CB-CG 4.47Å; F259-F283 HydrophobicContact CB-CZ 4.45Å; R281-F283 HydrophobicContact CG-CE2 4.43Å; F283-T525 HydrophobicContact CE1-CG2 3.7Å; F283-T525 HydrophobicContact CZ-CG2 4.06Å
284	D	97.2	Very high	96	Very high	75 Å²	75	70.5 Å²	70.5	40%	0.401	34%	0.341	S	S	.	.			trans	-118.5	129.7	175	-174.3	-73.8	0	0	0	109.6	D286 C287 C288	D284-D286 PolarHBondContact OD1-N 3.19Å; D284-C287 HydrophobicContact CB-CB 4.11Å; D284-C287 PolarHBondContact OD1-N 3.42Å; D284-C288 WeakPolarHBondContact O-CB 3.47Å; D284-C288 PolarHBondContact O-N 2.99Å
285	Q	96.6	Very high	96	Very high	108 Å²	108	67.9 Å²	67.9	51%	0.505	33%	0.329	S	S	.	.	H	α-helix	trans	-77.5	-37.8	-175.7	-171.7	172.3	-13.7	0	0	112.4	W260 C288 R289	W260-Q285 HydrophobicContact CD2-CB 4.06Å; W260-Q285 HydrophobicContact CD2-CG 4.21Å; W260-Q285 HydrophobicContact CE3-CB 4.1Å; W260-Q285 HydrophobicContact CH2-CB 3.73Å; W260-Q285 HydrophobicContact CH2-CG 4.43Å; W260-Q285 HydrophobicContact CZ2-CB 3.66Å; W260-Q285 HydrophobicContact CZ2-CG 3.84Å; W260-Q285 HydrophobicContact CZ3-CB 3.96Å; Q285-C288 PolarHBondContact O-N 2.95Å; Q285-R289 VanDerWaalsContact O-CB 3.32Å; Q285-R289 WeakPolarHBondContact O-CB 3.32Å; Q285-R289 PolarHBondContact O-N 3.28Å
286	D	96.3	Very high	95.8	Very high	94 Å²	94	70.9 Å²	70.9	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-74.9	-40.5	-175.4	-70.4	-49.9	0	0	0	110.5	D284 R289 A290	D284-D286 PolarHBondContact OD1-N 3.19Å; D286-R289 PolarHBondContact O-N 3.48Å; D286-R289 IonicContact OD1-CZ 2.63Å; D286-R289 IonicContact OD1-NH1 3Å; D286-R289 PolarHBondContact OD1-NH1 3.06Å; D286-R289 IonicContact OD1-NH2 2.68Å; D286-R289 PolarHBondContact OD1-NH2 3.41Å; D286-A290 WeakPolarHBondContact O-CB 3.41Å; D286-A290 PolarHBondContact O-N 2.87Å
287	C	96.8	Very high	95.6	Very high	64 Å²	64	72.8 Å²	72.8	43%	0.432	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-47.8	168.7	-67.6	0	0	0	0	111.6	L282 D284 R289 A290 Y291	L282-C287 HydrophobicContact CD1-CB 4.09Å; D284-C287 HydrophobicContact CB-CB 4.11Å; D284-C287 PolarHBondContact OD1-N 3.42Å; C287-R289 VanDerWaalsContact C-N 3.29Å; C287-R289 PolarHBondContact O-N 2.99Å; C287-A290 PolarHBondContact O-N 3.17Å; C287-Y291 WeakPolarHBondContact O-CD2 3.26Å; C287-Y291 PolarHBondContact O-N 3.12Å; C287-Y291 VanDerWaalsContact O-N 3.15Å
288	C	96.9	Very high	95.4	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-32.5	179.1	-164.4	0	0	0	0	112.4	W260 L282 D284 Q285 Y292	W260-C288 HydrophobicContact CB-CB 3.69Å; W260-C288 WeakPolarHBondContact CB-SG 3.27Å; W260-C288 HydrophobicContact CG-CB 4.44Å; L282-C288 HydrophobicContact CB-CB 4.33Å; L282-C288 HydrophobicContact CD1-CB 4.18Å; D284-C288 WeakPolarHBondContact O-CB 3.47Å; D284-C288 PolarHBondContact O-N 2.99Å; Q285-C288 PolarHBondContact O-N 2.95Å; C288-Y292 WeakPolarHBondContact O-CB 3.38Å; C288-Y292 PolarHBondContact O-N 3.06Å
289	R	95.8	Very high	95.3	Very high	105 Å²	105	72.9 Å²	72.9	40%	0.396	35%	0.352	S	S	.	.	H	α-helix	trans	-67.7	-42	173.1	-169	-179.7	64.3	-105.2	-9.7	111.3	Q285 D286 C287 Y291 Y292 E293	Q285-R289 VanDerWaalsContact O-CB 3.32Å; Q285-R289 WeakPolarHBondContact O-CB 3.32Å; Q285-R289 PolarHBondContact O-N 3.28Å; D286-R289 PolarHBondContact O-N 3.48Å; D286-R289 IonicContact OD1-CZ 2.63Å; D286-R289 IonicContact OD1-NH1 3Å; D286-R289 PolarHBondContact OD1-NH1 3.06Å; D286-R289 IonicContact OD1-NH2 2.68Å; D286-R289 PolarHBondContact OD1-NH2 3.41Å; C287-R289 VanDerWaalsContact C-N 3.29Å; C287-R289 PolarHBondContact O-N 2.99Å; R289-Y291 PolarHBondContact O-N 2.93Å; R289-Y292 CarbonylContact O-C 3.25Å; R289-Y292 WeakPolarHBondContact O-CB 3.39Å; R289-Y292 PolarHBondContact O-N 3.07Å; R289-Y292 VanDerWaalsContact O-N 3.11Å; R289-E293 WeakPolarHBondContact CD-OE1 3.23Å; R289-E293 HydrophobicContact CG-CG 4.12Å; R289-E293 WeakPolarHBondContact CG-OE1 3.37Å; R289-E293 IonicContact NE-OE1 3.85Å; R289-E293 PolarHBondContact NE-OE1 3.4Å; R289-E293 WeakPolarHBondContact O-CB 3.42Å; R289-E293 WeakPolarHBondContact O-CG 3.41Å; R289-E293 PolarHBondContact O-N 3.09Å
290	A	96.1	Very high	95.3	Very high	53 Å²	53	70 Å²	70	44%	0.438	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-44.9	177.5	0	0	0	0	0	112.6	D286 C287 Y292 E293 H294	D286-A290 WeakPolarHBondContact O-CB 3.41Å; D286-A290 PolarHBondContact O-N 2.87Å; C287-A290 PolarHBondContact O-N 3.17Å; A290-Y292 VanDerWaalsContact C-N 3.31Å; A290-Y292 PolarHBondContact O-N 2.98Å; A290-E293 PolarHBondContact O-N 3.47Å; A290-H294 WeakPolarHBondContact O-CB 3.4Å; A290-H294 PolarHBondContact O-N 3.44Å
291	Y	96	Very high	95.2	Very high	70 Å²	70	68.1 Å²	68.1	28%	0.275	32%	0.322	S	S	.	.	H	α-helix	trans	-60.8	-39.7	172.9	-74.8	-71.1	0	0	0	112.2	W277 L282 C287 R289 L295 E476	W277-Y291 AromaticContact CH2-CD2 3.87Å; W277-Y291 HydrophobicContact CH2-CD2 3.87Å; W277-Y291 HydrophobicContact CH2-CG 4.1Å; W277-Y291 HydrophobicContact CZ2-CD1 4.22Å; W277-Y291 AromaticContact CZ2-CD2 3.93Å; W277-Y291 HydrophobicContact CZ2-CD2 3.93Å; W277-Y291 AromaticContact CZ2-CG 3.78Å; W277-Y291 HydrophobicContact CZ2-CG 3.78Å; L282-Y291 HydrophobicContact CD1-CD2 3.8Å; L282-Y291 HydrophobicContact CD1-CE2 3.85Å; C287-Y291 WeakPolarHBondContact O-CD2 3.26Å; C287-Y291 PolarHBondContact O-N 3.12Å; C287-Y291 VanDerWaalsContact O-N 3.15Å; R289-Y291 PolarHBondContact O-N 2.93Å; Y291-L295 WeakPolarHBondContact O-CB 3.4Å; Y291-L295 WeakPolarHBondContact O-CD1 3.29Å; Y291-L295 VanDerWaalsContact O-CG 3.28Å; Y291-L295 WeakPolarHBondContact O-CG 3.31Å; Y291-L295 PolarHBondContact O-N 2.69Å; Y291-E476 HydrophobicContact CD1-CG 4.11Å; Y291-E476 WeakPolarHBondContact CD1-OE1 3.46Å; Y291-E476 WeakPolarHBondContact CE1-OE1 3.43Å
292	Y	95.8	Very high	95.2	Very high	67 Å²	67	63.1 Å²	63.1	26%	0.263	30%	0.303	S	S	.	.	H	α-helix	trans	-69.4	-42.2	178.3	168.9	-116.3	0	0	0	113.4	C288 R289 A290 L295 N296 I518 V520	C288-Y292 WeakPolarHBondContact O-CB 3.38Å; C288-Y292 PolarHBondContact O-N 3.06Å; R289-Y292 CarbonylContact O-C 3.25Å; R289-Y292 WeakPolarHBondContact O-CB 3.39Å; R289-Y292 PolarHBondContact O-N 3.07Å; R289-Y292 VanDerWaalsContact O-N 3.11Å; A290-Y292 VanDerWaalsContact C-N 3.31Å; A290-Y292 PolarHBondContact O-N 2.98Å; Y292-L295 PolarHBondContact O-N 2.77Å; Y292-N296 VanDerWaalsContact CE2-ND2 3.28Å; Y292-N296 WeakPolarHBondContact CE2-ND2 3.27Å; Y292-N296 WeakPolarHBondContact O-CB 3.49Å; Y292-N296 PolarHBondContact O-N 2.71Å; Y292-N296 PolarHBondContact OH-ND2 2.98Å; Y292-I518 HydrophobicContact CD2-CG2 4.21Å; Y292-I518 HydrophobicContact CE2-CG2 4.39Å; Y292-I518 WeakPolarHBondContact CE2-O 3.37Å; Y292-V520 VanDerWaalsContact CB-CG2 3.48Å; Y292-V520 HydrophobicContact CD1-CG2 3.65Å; Y292-V520 HydrophobicContact CD2-CG2 3.67Å; Y292-V520 HydrophobicContact CE1-CG2 4.26Å; Y292-V520 HydrophobicContact CE2-CG2 4.29Å; Y292-V520 HydrophobicContact CG-CG2 3.3Å
293	E	95.1	Very high	95.1	Very high	89 Å²	89	61.2 Å²	61.2	42%	0.416	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-43.7	175.2	-74.2	169.4	-179.5	0	0	110.7	R289 A290 L295 N296 Q297	R289-E293 WeakPolarHBondContact CD-OE1 3.23Å; R289-E293 HydrophobicContact CG-CG 4.12Å; R289-E293 WeakPolarHBondContact CG-OE1 3.37Å; R289-E293 IonicContact NE-OE1 3.85Å; R289-E293 PolarHBondContact NE-OE1 3.4Å; R289-E293 WeakPolarHBondContact O-CB 3.42Å; R289-E293 WeakPolarHBondContact O-CG 3.41Å; R289-E293 PolarHBondContact O-N 3.09Å; A290-E293 PolarHBondContact O-N 3.47Å; E293-L295 PolarHBondContact O-N 3.4Å; E293-N296 PolarHBondContact O-N 3.32Å; E293-Q297 WeakPolarHBondContact O-CG 3.29Å; E293-Q297 PolarHBondContact O-N 3.22Å
294	H	93.4	Very high	95	Very high	81 Å²	81	57.7 Å²	57.7	38%	0.375	28%	0.28	S	S	.	.	H	α-helix	trans	-58.9	-44.5	172.9	178	76	0	0	0	112.2	A290 Q297 N298	A290-H294 WeakPolarHBondContact O-CB 3.4Å; A290-H294 PolarHBondContact O-N 3.44Å; H294-Q297 PolarHBondContact O-N 3Å; H294-N298 WeakPolarHBondContact O-CB 3.36Å; H294-N298 PolarHBondContact O-N 3.44Å; H294-N298 PolarHBondContact O-ND2 3.49Å
295	L	94.9	Very high	94.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69	-33.3	177.8	-76.9	166.9	0	0	0	113.7	I262 Y291 Y292 E293 Q297 N298 R299 I451 E476 F478 I518	I262-L295 HydrophobicContact CD1-CD1 3.8Å; I262-L295 HydrophobicContact CG2-CD1 4.16Å; Y291-L295 WeakPolarHBondContact O-CB 3.4Å; Y291-L295 WeakPolarHBondContact O-CD1 3.29Å; Y291-L295 VanDerWaalsContact O-CG 3.28Å; Y291-L295 WeakPolarHBondContact O-CG 3.31Å; Y291-L295 PolarHBondContact O-N 2.69Å; Y292-L295 PolarHBondContact O-N 2.77Å; E293-L295 PolarHBondContact O-N 3.4Å; L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-N298 CarbonylContact O-C 3.08Å; L295-N298 VanDerWaalsContact O-C 3.25Å; L295-N298 PolarHBondContact O-N 3.49Å; L295-R299 WeakPolarHBondContact O-CA 3.48Å; L295-R299 VanDerWaalsContact O-CG 3.25Å; L295-R299 WeakPolarHBondContact O-CG 3.47Å; L295-R299 PolarHBondContact O-N 2.95Å; L295-R299 VanDerWaalsContact O-N 3.13Å; L295-I451 HydrophobicContact CD2-CB 3.65Å; L295-I451 HydrophobicContact CD2-CG2 3.59Å; L295-I451 VanDerWaalsContact CD2-O 3.31Å; L295-I451 WeakPolarHBondContact CD2-O 3.31Å; L295-E476 HydrophobicContact CD1-CB 4.19Å; L295-E476 HydrophobicContact CD1-CG 4.18Å; L295-E476 HydrophobicContact CD2-CB 4.18Å; L295-E476 HydrophobicContact CD2-CG 4.5Å; L295-E476 HydrophobicContact CG-CG 4.48Å; L295-F478 HydrophobicContact CD1-CE2 4.16Å; L295-F478 HydrophobicContact CD1-CZ 3.73Å; L295-F478 HydrophobicContact CD2-CE2 4.39Å; L295-I518 HydrophobicContact CB-CD1 4.26Å; L295-I518 HydrophobicContact CB-CG2 4.4Å
296	N	92.4	Very high	94.9	Very high	62 Å²	62	54 Å²	54	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-71	-27.4	173.7	-91.2	-9.8	0	0	0	113.1	Y292 E293	Y292-N296 VanDerWaalsContact CE2-ND2 3.28Å; Y292-N296 WeakPolarHBondContact CE2-ND2 3.27Å; Y292-N296 WeakPolarHBondContact O-CB 3.49Å; Y292-N296 PolarHBondContact O-N 2.71Å; Y292-N296 PolarHBondContact OH-ND2 2.98Å; E293-N296 PolarHBondContact O-N 3.32Å
297	Q	92.3	Very high	94.9	Very high	139 Å²	139	52.3 Å²	52.3	65%	0.65	25%	0.253	S	S	*	.	H	α-helix	trans	-77	-29.3	169.8	-67.9	168.3	13.1	0	0	111.9	E293 H294 L295	E293-Q297 WeakPolarHBondContact O-CG 3.29Å; E293-Q297 PolarHBondContact O-N 3.22Å; H294-Q297 PolarHBondContact O-N 3Å; L295-Q297 VanDerWaalsContact C-N 3.33Å
298	N	93.7	Very high	94.8	Very high	24 Å²	24	56.8 Å²	56.8	13%	0.128	27%	0.265	C	S	.	.	S	Bend	trans	-123.7	51.2	-170.7	-60.6	-78	0	0	0	112.3	H294 L295 Y300 I451 G452 K453 P454	H294-N298 WeakPolarHBondContact O-CB 3.36Å; H294-N298 PolarHBondContact O-N 3.44Å; H294-N298 PolarHBondContact O-ND2 3.49Å; L295-N298 CarbonylContact O-C 3.08Å; L295-N298 VanDerWaalsContact O-C 3.25Å; L295-N298 PolarHBondContact O-N 3.49Å; N298-Y300 VanDerWaalsContact C-N 3.27Å; N298-Y300 PolarHBondContact O-N 2.87Å; N298-I451 WeakPolarHBondContact O-CG2 3.35Å; N298-G452 PolarHBondContact O-N 3.37Å; N298-K453 CarbonylContact C-O 3.56Å; N298-K453 WeakPolarHBondContact CA-O 3.25Å; N298-K453 PolarHBondContact O-N 3.28Å; N298-P454 WeakPolarHBondContact OD1-CD 3.41Å
299	R	93.4	Very high	94.8	Very high	84 Å²	84	62.2 Å²	62.2	32%	0.317	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-66.9	-14.7	-169.4	-72.1	-175.2	64.2	164.2	1.2	116	L295 L514 P515 D516 I518	L295-R299 WeakPolarHBondContact O-CA 3.48Å; L295-R299 VanDerWaalsContact O-CG 3.25Å; L295-R299 WeakPolarHBondContact O-CG 3.47Å; L295-R299 PolarHBondContact O-N 2.95Å; L295-R299 VanDerWaalsContact O-N 3.13Å; R299-L514 HydrophobicContact CB-CD1 3.78Å; R299-P515 PolarHBondContact NH2-O 3.19Å; R299-P515 WeakPolarHBondContact O-CD 3.41Å; R299-D516 PolarHBondContact NH2-O 3.45Å; R299-I518 HydrophobicContact CG-CD1 4.07Å
300	Y	93.5	Very high	94.9	Very high	65 Å²	65	63 Å²	63	26%	0.255	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.3	179	-66.6	-85.7	0	0	0	110.3	N298 G452 K453 P454 L456 L514	N298-Y300 VanDerWaalsContact C-N 3.27Å; N298-Y300 PolarHBondContact O-N 2.87Å; Y300-G452 PolarHBondContact O-N 3.34Å; Y300-K453 WeakPolarHBondContact CB-O 3.42Å; Y300-K453 PolarHBondContact N-O 3.15Å; Y300-K453 PolarHBondContact O-N 3.49Å; Y300-P454 WeakPolarHBondContact CD2-O 3.31Å; Y300-P454 WeakPolarHBondContact CE2-O 3.49Å; Y300-L456 HydrophobicContact CD1-CD1 4.37Å; Y300-L456 HydrophobicContact CD1-CD2 4.27Å; Y300-L456 HydrophobicContact CD1-CG 3.74Å; Y300-L456 HydrophobicContact CE1-CD1 3.88Å; Y300-L456 HydrophobicContact CE1-CG 3.71Å; Y300-L514 HydrophobicContact CD1-CB 4.26Å; Y300-L514 HydrophobicContact CD1-CD1 4.3Å; Y300-L514 HydrophobicContact CE1-CB 4.13Å; Y300-L514 HydrophobicContact CE1-CD1 4.17Å; Y300-L514 HydrophobicContact CE1-CD2 4.27Å; Y300-L514 HydrophobicContact CE1-CG 4.43Å
301	G	94.1	Very high	94.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	173	176.1	0	0	0	0	0	112.9	C450 W512 I513	G301-C450 CarbonylContact C-O 3.41Å; G301-C450 WeakPolarHBondContact CA-O 3.29Å; G301-W512 WeakPolarHBondContact O-CA 3.42Å; G301-W512 VanDerWaalsContact O-CE3 3.23Å; G301-I513 PolarHBondContact N-O 3.36Å; G301-I513 PolarHBondContact O-N 2.95Å
302	Q	94.8	Very high	95	Very high	5 Å²	5	64 Å²	64	2%	0.023	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.1	-179.6	-161.5	-176.7	29.1	0	0	110.2	V304 L449 C450 L470 G510 E511 W512	Q302-V304 PolarHBondContact O-N 3.08Å; Q302-L449 WeakPolarHBondContact O-CA 3.13Å; Q302-L449 WeakPolarHBondContact O-CD1 3.49Å; Q302-C450 PolarHBondContact N-O 3.33Å; Q302-C450 PolarHBondContact O-N 3.14Å; Q302-L470 HydrophobicContact CB-CB 4.49Å; Q302-L470 HydrophobicContact CB-CD1 3.89Å; Q302-L470 HydrophobicContact CB-CG 3.92Å; Q302-G510 WeakPolarHBondContact CG-O 3.29Å; Q302-G510 PolarHBondContact NE2-O 3.37Å; Q302-E511 CarbonylContact C-O 3.49Å; Q302-E511 WeakPolarHBondContact CA-O 3.49Å; Q302-W512 HydrophobicContact CB-CD2 4.33Å; Q302-W512 HydrophobicContact CB-CE3 4.45Å; Q302-W512 HydrophobicContact CB-CZ2 4.39Å; Q302-W512 HydrophobicContact CG-CD2 4.32Å; Q302-W512 HydrophobicContact CG-CG 4.48Å; Q302-W512 HydrophobicContact CG-CZ2 4.44Å
303	I	95.5	Very high	95.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	110.1	167.7	-58.1	-59.6	0	0	0	108.3	V306 V447 R448 L449 F507 Q508 G510 E511 I513	I303-V306 HydrophobicContact CG2-CG2 3.56Å; I303-V447 HydrophobicContact CD1-CG1 3.83Å; I303-V447 HydrophobicContact CG2-CG1 3.93Å; I303-R448 CarbonylContact C-O 3.56Å; I303-R448 WeakPolarHBondContact CA-O 3.41Å; I303-L449 HydrophobicContact CD1-CB 4.14Å; I303-L449 HydrophobicContact CD1-CD1 4.22Å; I303-F507 HydrophobicContact CD1-CB 4.34Å; I303-F507 HydrophobicContact CD1-CD1 3.83Å; I303-F507 HydrophobicContact CD1-CE1 4.48Å; I303-F507 HydrophobicContact CD1-CG 4.26Å; I303-F507 HydrophobicContact CG1-CB 4.28Å; I303-F507 HydrophobicContact CG1-CD1 4.19Å; I303-F507 HydrophobicContact CG2-CB 4.45Å; I303-Q508 VanDerWaalsContact CB-O 3.25Å; I303-Q508 WeakPolarHBondContact CB-O 3.48Å; I303-Q508 VanDerWaalsContact CG2-O 3.28Å; I303-Q508 WeakPolarHBondContact CG2-O 2.99Å; I303-G510 WeakPolarHBondContact O-CA 3.39Å; I303-G510 PolarHBondContact O-N 3.35Å; I303-E511 HydrophobicContact CB-CB 4.28Å; I303-E511 HydrophobicContact CG1-CB 3.96Å; I303-E511 PolarHBondContact N-O 3.22Å; I303-I513 HydrophobicContact CD1-CG1 3.92Å; I303-I513 HydrophobicContact CG1-CG1 3.92Å
304	V	95.1	Very high	95.2	Very high	26 Å²	26	67.3 Å²	67.3	16%	0.158	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-15.9	-173.2	-62.7	0	0	0	0	113.2	Q302 R448 C450 L470 L477 L509	Q302-V304 PolarHBondContact O-N 3.08Å; V304-R448 HydrophobicContact CG2-CB 3.87Å; V304-R448 PolarHBondContact N-O 3.4Å; V304-C450 HydrophobicContact CG1-CB 3.61Å; V304-C450 HydrophobicContact CG2-CB 4.24Å; V304-L470 HydrophobicContact CG1-CB 3.95Å; V304-L470 WeakPolarHBondContact CG1-O 3.32Å; V304-L477 HydrophobicContact CG2-CD2 3.75Å; V304-L509 VanDerWaalsContact C-CD1 3.48Å; V304-L509 VanDerWaalsContact O-CD1 3.32Å; V304-L509 WeakPolarHBondContact O-CD1 3.46Å
305	E	94.8	Very high	95.4	Very high	62 Å²	62	64.7 Å²	64.7	29%	0.29	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	139.4	177.7	-160.9	-173.7	-143.4	0	0	111.3	I307 V447 R448	E305-I307 HydrophobicContact CG-CD1 4.45Å; E305-I307 HydrophobicContact CG-CG1 3.91Å; E305-V447 WeakPolarHBondContact O-CA 3.43Å; E305-R448 HydrophobicContact CB-CB 3.99Å; E305-R448 HydrophobicContact CB-CG 4.27Å; E305-R448 PolarHBondContact O-N 3.3Å; E305-R448 IonicContact OE1-NH1 3.62Å; E305-R448 WeakPolarHBondContact OE2-CD 3.44Å; E305-R448 IonicContact OE2-CZ 2.91Å; E305-R448 IonicContact OE2-NE 3.21Å; E305-R448 PolarHBondContact OE2-NE 3.29Å; E305-R448 IonicContact OE2-NH1 2.69Å; E305-R448 PolarHBondContact OE2-NH1 3.24Å
306	V	96.4	Very high	95.6	Very high	44 Å²	44	65.7 Å²	65.7	27%	0.267	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	95.5	171.8	-177.1	0	0	0	0	109	I303 T445 I446 V447	I303-V306 HydrophobicContact CG2-CG2 3.56Å; V306-T445 HydrophobicContact CG1-CG2 4.31Å; V306-I446 CarbonylContact C-O 3.52Å; V306-I446 WeakPolarHBondContact CA-O 3.27Å; V306-V447 HydrophobicContact CG1-CG2 4.34Å; V306-V447 HydrophobicContact CG2-CG1 4.47Å; V306-V447 HydrophobicContact CG2-CG2 4.49Å
307	I	96.1	Very high	95.8	Very high	57 Å²	57	65.5 Å²	65.5	29%	0.292	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.9	176.9	-51.1	174.6	0	0	0	109	E305 T445 I446	E305-I307 HydrophobicContact CG-CD1 4.45Å; E305-I307 HydrophobicContact CG-CG1 3.91Å; I307-T445 CarbonylContact O-C 3.55Å; I307-T445 VanDerWaalsContact O-CA 3.3Å; I307-T445 WeakPolarHBondContact O-CA 3.43Å; I307-I446 HydrophobicContact CB-CB 4.24Å; I307-I446 PolarHBondContact N-O 3.14Å; I307-I446 PolarHBondContact O-N 2.89Å
308	K	95.8	Very high	96.1	Very high	158 Å²	158	59 Å²	59	69%	0.687	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.3	164.8	-67.6	179.4	179.1	179.1	0	108.8	T445	K308-T445 HydrophobicContact CG-CG2 4Å
309	R	96.9	Very high	96.3	Very high	116 Å²	116	58 Å²	58	44%	0.438	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.9	178.5	65.4	-179.6	-176.2	174.8	-2.3	113.2	E444	R309-E444 HydrophobicContact CG-CB 4.28Å; R309-E444 IonicContact CZ-OE2 3.15Å; R309-E444 PolarHBondContact N-O 3.46Å; R309-E444 IonicContact NE-OE2 3.53Å; R309-E444 PolarHBondContact NE-OE2 2.98Å; R309-E444 IonicContact NH2-OE2 3.5Å; R309-E444 PolarHBondContact NH2-OE2 3.12Å; R309-E444 PolarHBondContact O-N 3.19Å
310	P	97.2	Very high	96.5	Very high	121 Å²	121	54.1 Å²	54.1	79%	0.786	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	144.8	169.3	28	-34.8	0	0	0	110.2
311	K	96.8	Very high	96.7	Very high	69 Å²	69	51.1 Å²	51.1	30%	0.3	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.7	-179.5	-171.5	75.5	176.1	-148	0	108.4	G442 E444 L483 W499	K311-G442 PolarHBondContact N-O 2.98Å; K311-G442 CarbonylContact O-C 3.56Å; K311-G442 WeakPolarHBondContact O-CA 3.33Å; K311-G442 PolarHBondContact O-N 2.9Å; K311-E444 HydrophobicContact CB-CB 3.92Å; K311-E444 HydrophobicContact CD-CB 4.19Å; K311-E444 WeakPolarHBondContact CE-OE1 3.35Å; K311-E444 HydrophobicContact CG-CB 4.22Å; K311-E444 IonicContact NZ-OE1 2.94Å; K311-E444 PolarHBondContact NZ-OE1 3.13Å; K311-E444 IonicContact NZ-OE2 3Å; K311-L483 HydrophobicContact CB-CD1 4.25Å; K311-L483 HydrophobicContact CG-CD1 4.18Å; K311-W499 HydrophobicContact CG-CZ2 4.07Å; K311-W499 WeakPolarHBondContact O-CH2 3.36Å
312	T	97.3	Very high	96.8	Very high	76 Å²	76	51.8 Å²	51.8	47%	0.466	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	146.2	172.3	52.3	0	0	0	0	110.8	A440 E441	T312-A440 CarbonylContact C-O 3.55Å; T312-A440 WeakPolarHBondContact CA-O 3.05Å; T312-E441 HydrophobicContact CG2-CG 4.44Å
313	K	97.1	Very high	97	Very high	37 Å²	37	54.1 Å²	54.1	16%	0.161	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123	161.1	-169.4	-171.4	172.2	-158.8	0	108.9	R315 A440 Y490 D497 R498 W499	K313-R315 PolarHBondContact O-N 3.37Å; K313-A440 HydrophobicContact CB-CB 4.28Å; K313-A440 PolarHBondContact N-O 3.49Å; K313-A440 PolarHBondContact O-N 2.9Å; K313-Y490 WeakPolarHBondContact CD-OH 3.2Å; K313-Y490 WeakPolarHBondContact CE-OH 3.48Å; K313-Y490 PolarHBondContact NZ-OH 3.38Å; K313-Y490 WeakPolarHBondContact O-CE1 3.47Å; K313-D497 VanDerWaalsContact CE-OD2 3.31Å; K313-D497 WeakPolarHBondContact CE-OD2 3.25Å; K313-D497 IonicContact NZ-OD2 3.17Å; K313-D497 PolarHBondContact NZ-OD2 3.25Å; K313-R498 PolarHBondContact NZ-O 3.31Å; K313-W499 HydrophobicContact CB-CD2 3.71Å; K313-W499 HydrophobicContact CB-CE3 3.9Å; K313-W499 HydrophobicContact CB-CG 4.27Å; K313-W499 HydrophobicContact CB-CH2 4.12Å; K313-W499 HydrophobicContact CB-CZ2 3.93Å; K313-W499 HydrophobicContact CB-CZ3 4.11Å; K313-W499 HydrophobicContact CD-CB 3.81Å; K313-W499 HydrophobicContact CD-CD2 4.01Å; K313-W499 HydrophobicContact CD-CG 3.66Å; K313-W499 HydrophobicContact CG-CD2 4.44Å
314	W	97.5	Very high	97.1	Very high	187 Å²	187	54.1 Å²	54.1	71%	0.708	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-70.5	127.4	-173.5	-74.1	-2	0	0	0	112.5	Y490	W314-Y490 PolarHBondContact O-OH 2.86Å
315	R	97.9	Very high	97.2	Very high	26 Å²	26	52.9 Å²	52.9	10%	0.098	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.4	158.4	165.4	86.6	-160.2	176.1	-100.2	18.7	110.3	K313 N394 K396 A434 C435 S437 D439 Y490	K313-R315 PolarHBondContact O-N 3.37Å; R315-N394 PolarHBondContact NH2-O 3.43Å; R315-N394 PolarHBondContact NH2-OD1 3.12Å; R315-N394 VanDerWaalsContact NH2-OD1 3.1Å; R315-K396 HydrophobicContact CG-CB 4.25Å; R315-K396 HydrophobicContact CG-CD 3.6Å; R315-K396 WeakPolarHBondContact O-CD 3.16Å; R315-K396 PolarHBondContact O-NZ 2.76Å; R315-K396 VanDerWaalsContact O-NZ 3.1Å; R315-A434 WeakPolarHBondContact CB-O 3.47Å; R315-A434 WeakPolarHBondContact CD-O 3.45Å; R315-A434 WeakPolarHBondContact CG-O 3.22Å; R315-C435 PolarHBondContact NE-O 2.97Å; R315-S437 WeakPolarHBondContact CD-O 3.41Å; R315-S437 PolarHBondContact NE-O 2.58Å; R315-S437 PolarHBondContact NH2-O 3.33Å; R315-D439 WeakPolarHBondContact CB-OD1 3.43Å; R315-D439 WeakPolarHBondContact CD-OD1 3.34Å; R315-D439 WeakPolarHBondContact CG-OD1 3.25Å; R315-D439 IonicContact CZ-OD1 3.74Å; R315-D439 PolarHBondContact N-OD1 2.92Å; R315-D439 IonicContact NE-OD1 2.79Å; R315-D439 IonicContact NH1-OD1 2.76Å; R315-D439 PolarHBondContact NH1-OD1 2.98Å; R315-Y490 HydrophobicContact CB-CD1 3.57Å; R315-Y490 HydrophobicContact CB-CD2 3.81Å; R315-Y490 HydrophobicContact CB-CE1 4.16Å; R315-Y490 HydrophobicContact CB-CE2 4.34Å; R315-Y490 HydrophobicContact CB-CG 3.36Å
316	P	98	Very high	97.4	Very high	22 Å²	22	50.7 Å²	50.7	14%	0.143	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-64.1	151	-179.5	27.9	-35.3	0	0	0	112.4	A434 C435 Y494	P316-A434 HydrophobicContact CG-CB 3.74Å; P316-C435 PolarHBondContact O-SG 2.9Å; P316-Y494 HydrophobicContact CG-CE1 4.41Å
317	T	97.8	Very high	97.4	Very high	57 Å²	57	48.8 Å²	48.8	35%	0.35	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-71.4	163.4	163.4	50.2	0	0	0	0	110.9	K396 H431 C435	T317-K396 CarbonylContact C-O 3.54Å; T317-K396 WeakPolarHBondContact CA-O 3.37Å; T317-K396 HydrophobicContact CG2-CG 4.31Å; T317-H431 PolarHBondContact O-NE2 2.8Å; T317-C435 VanDerWaalsContact C-SG 3.58Å
318	A	98.2	Very high	97.5	Very high	2 Å²	2	46 Å²	46	2%	0.017	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-55.6	144.7	174.5	0	0	0	0	0	112.5	K360 F362 K396 P407 C435	A318-K360 WeakPolarHBondContact CB-O 3.45Å; A318-F362 HydrophobicContact CB-CD2 3.86Å; A318-F362 HydrophobicContact CB-CE2 3.38Å; A318-F362 HydrophobicContact CB-CZ 3.9Å; A318-K396 PolarHBondContact N-O 2.94Å; A318-P407 HydrophobicContact CB-CB 3.75Å; A318-P407 HydrophobicContact CB-CG 3.68Å; A318-C435 PolarHBondContact N-SG 3.47Å
319	L	98.5	Very high	97.5	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-83	129	-166.6	-173.6	60.8	0	0	0	112.5	E323 L324 L327 P407 I408 V428	L319-E323 HydrophobicContact CD1-CB 4.21Å; L319-E323 HydrophobicContact CD1-CG 4.42Å; L319-L324 HydrophobicContact CD1-CB 4.08Å; L319-L324 HydrophobicContact CD2-CB 4.47Å; L319-L324 HydrophobicContact CD2-CD1 4.37Å; L319-L324 HydrophobicContact CG-CB 4.31Å; L319-L327 HydrophobicContact CD1-CD1 4.25Å; L319-P407 CarbonylContact O-C 3.54Å; L319-P407 WeakPolarHBondContact O-CA 3.41Å; L319-P407 WeakPolarHBondContact O-CB 3.17Å; L319-I408 HydrophobicContact CB-CB 4.37Å; L319-I408 HydrophobicContact CD2-CB 4.14Å; L319-I408 HydrophobicContact CD2-CG2 4.42Å; L319-I408 HydrophobicContact CG-CB 4.14Å; L319-I408 PolarHBondContact O-N 2.84Å; L319-V428 HydrophobicContact CD2-CB 4.49Å; L319-V428 HydrophobicContact CD2-CG1 4.44Å; L319-V428 HydrophobicContact CD2-CG2 4.06Å
320	D	97.4	Very high	97.4	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	20%	0.195	C	C	.	.			trans	-115.4	175.8	169.7	76.5	-47.7	0	0	0	110.9	V322 E323 L324 K360	D320-V322 VanDerWaalsContact C-N 3.29Å; D320-V322 PolarHBondContact O-N 2.84Å; D320-V322 WeakPolarHBondContact OD2-CB 3.49Å; D320-E323 PolarHBondContact O-N 3.4Å; D320-E323 WeakPolarHBondContact OD1-CB 3.35Å; D320-E323 PolarHBondContact OD1-N 2.76Å; D320-E323 VanDerWaalsContact OD1-N 3.09Å; D320-L324 WeakPolarHBondContact O-CB 3.42Å; D320-L324 PolarHBondContact O-N 2.96Å; D320-K360 HydrophobicContact CB-CG 3.96Å; D320-K360 WeakPolarHBondContact OD1-CE 3.37Å; D320-K360 IonicContact OD1-NZ 3.22Å; D320-K360 PolarHBondContact OD1-NZ 3.38Å; D320-K360 IonicContact OD2-NZ 2.72Å; D320-K360 PolarHBondContact OD2-NZ 3.3Å
321	T	97	Very high	97.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-43.7	179.5	-51.6	0	0	0	0	112.3	E323 L324 E325 M340 P355 R356 T357 A549	T321-E323 PolarHBondContact O-N 3.45Å; T321-L324 WeakPolarHBondContact O-CB 3.35Å; T321-L324 PolarHBondContact O-N 2.94Å; T321-E325 HydrophobicContact CG2-CG 4.34Å; T321-E325 WeakPolarHBondContact O-CG 3.17Å; T321-E325 PolarHBondContact O-N 3.42Å; T321-M340 HydrophobicContact CG2-CE 3.6Å; T321-M340 HydrophobicContact CG2-SD 3.63Å; T321-P355 PolarHBondContact OG1-O 3.29Å; T321-R356 VanDerWaalsContact OG1-CA 3.3Å; T321-R356 WeakPolarHBondContact OG1-CA 3.4Å; T321-T357 PolarHBondContact N-O 3.12Å; T321-T357 VanDerWaalsContact N-O 3.13Å; T321-T357 PolarHBondContact OG1-N 3.34Å; T321-T357 PolarHBondContact OG1-O 3.24Å; T321-T357 VanDerWaalsContact OG1-O 3.14Å; T321-A549 HydrophobicContact CG2-CB 3.86Å
322	V	96.9	Very high	97.3	Very high	14 Å²	14	34.3 Å²	34.3	9%	0.085	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-41.9	-173.5	176.4	0	0	0	0	111.3	D320 K326 I537 D541	D320-V322 VanDerWaalsContact C-N 3.29Å; D320-V322 PolarHBondContact O-N 2.84Å; D320-V322 WeakPolarHBondContact OD2-CB 3.49Å; V322-K326 HydrophobicContact CG1-CD 4.13Å; V322-K326 WeakPolarHBondContact O-CB 3.36Å; V322-K326 VanDerWaalsContact O-CD 3.31Å; V322-K326 WeakPolarHBondContact O-CD 3.49Å; V322-K326 WeakPolarHBondContact O-CG 3.24Å; V322-K326 PolarHBondContact O-N 3.36Å; V322-I537 HydrophobicContact CG1-CG2 4.04Å; V322-D541 HydrophobicContact CG1-CB 4.19Å
323	E	97.6	Very high	97.1	Very high	54 Å²	54	39.2 Å²	39.2	25%	0.252	18%	0.178	S	C	.	.	H	α-helix	trans	-77.4	-28.3	174.6	-170	60.1	-167.7	0	0	112.5	L319 D320 T321 K326 L327 R330	L319-E323 HydrophobicContact CD1-CB 4.21Å; L319-E323 HydrophobicContact CD1-CG 4.42Å; D320-E323 PolarHBondContact O-N 3.4Å; D320-E323 WeakPolarHBondContact OD1-CB 3.35Å; D320-E323 PolarHBondContact OD1-N 2.76Å; D320-E323 VanDerWaalsContact OD1-N 3.09Å; T321-E323 PolarHBondContact O-N 3.45Å; E323-K326 PolarHBondContact O-N 2.79Å; E323-L327 HydrophobicContact CG-CD1 3.87Å; E323-L327 HydrophobicContact CG-CG 4.12Å; E323-L327 VanDerWaalsContact O-CB 3.25Å; E323-L327 WeakPolarHBondContact O-CB 3.22Å; E323-L327 WeakPolarHBondContact O-CG 3.15Å; E323-L327 PolarHBondContact O-N 3.22Å; E323-R330 VanDerWaalsContact CD-NH2 3.31Å; E323-R330 IonicContact OE1-CZ 3.16Å; E323-R330 IonicContact OE1-NH1 2.82Å; E323-R330 IonicContact OE1-NH2 2.67Å; E323-R330 PolarHBondContact OE1-NH2 2.89Å; E323-R330 IonicContact OE2-NH2 3.91Å; E323-R330 PolarHBondContact OE2-NH2 2.96Å
324	L	98.4	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-50.9	171.2	174.5	61.1	0	0	0	111.6	L319 D320 T321 K326 L327 A328 A343 I408 L424 L427 V428	L319-L324 HydrophobicContact CD1-CB 4.08Å; L319-L324 HydrophobicContact CD2-CB 4.47Å; L319-L324 HydrophobicContact CD2-CD1 4.37Å; L319-L324 HydrophobicContact CG-CB 4.31Å; D320-L324 WeakPolarHBondContact O-CB 3.42Å; D320-L324 PolarHBondContact O-N 2.96Å; T321-L324 WeakPolarHBondContact O-CB 3.35Å; T321-L324 PolarHBondContact O-N 2.94Å; L324-K326 PolarHBondContact O-N 3.43Å; L324-L327 PolarHBondContact O-N 2.94Å; L324-A328 WeakPolarHBondContact O-CB 3.46Å; L324-A328 PolarHBondContact O-N 3.34Å; L324-A343 HydrophobicContact CD2-CB 4.19Å; L324-I408 HydrophobicContact CB-CD1 4.2Å; L324-I408 HydrophobicContact CD2-CD1 3.65Å; L324-I408 HydrophobicContact CD2-CG2 4.49Å; L324-L424 HydrophobicContact CD1-CD1 3.97Å; L324-L427 HydrophobicContact CD1-CD2 4.4Å; L324-V428 HydrophobicContact CD1-CG2 4.04Å
325	E	97.9	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-47.2	176.8	-67.8	178.9	140.2	0	0	111.2	T321 L327 A328 S329 A336 M340 I537 A552	T321-E325 HydrophobicContact CG2-CG 4.34Å; T321-E325 WeakPolarHBondContact O-CG 3.17Å; T321-E325 PolarHBondContact O-N 3.42Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.11Å; E325-A328 PolarHBondContact O-N 2.93Å; E325-S329 WeakPolarHBondContact O-CB 3.49Å; E325-S329 PolarHBondContact O-N 2.6Å; E325-A336 HydrophobicContact CB-CB 4.07Å; E325-A336 HydrophobicContact CG-CB 4.09Å; E325-M340 HydrophobicContact CG-CG 4.04Å; E325-M340 HydrophobicContact CG-SD 4.12Å; E325-I537 HydrophobicContact CB-CD1 3.76Å; E325-A552 VanDerWaalsContact OE1-CB 3.22Å; E325-A552 WeakPolarHBondContact OE1-CB 3.47Å
326	K	97.8	Very high	96.7	Very high	15 Å²	15	29 Å²	29	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-37.1	177.6	-69.7	168.4	-170.7	177.7	0	112	V322 E323 L324 R330 A534 I537 S538 D541	V322-K326 HydrophobicContact CG1-CD 4.13Å; V322-K326 WeakPolarHBondContact O-CB 3.36Å; V322-K326 VanDerWaalsContact O-CD 3.31Å; V322-K326 WeakPolarHBondContact O-CD 3.49Å; V322-K326 WeakPolarHBondContact O-CG 3.24Å; V322-K326 PolarHBondContact O-N 3.36Å; E323-K326 PolarHBondContact O-N 2.79Å; L324-K326 PolarHBondContact O-N 3.43Å; K326-R330 WeakPolarHBondContact O-CB 3.45Å; K326-R330 VanDerWaalsContact O-CG 3.3Å; K326-R330 WeakPolarHBondContact O-CG 3.47Å; K326-R330 PolarHBondContact O-N 3.32Å; K326-R330 PolarHBondContact O-NE 2.75Å; K326-A534 HydrophobicContact CB-CB 4.1Å; K326-A534 HydrophobicContact CG-CB 4.22Å; K326-I537 HydrophobicContact CD-CG2 4.44Å; K326-I537 HydrophobicContact CG-CB 4.18Å; K326-I537 HydrophobicContact CG-CD1 4.49Å; K326-I537 HydrophobicContact CG-CG2 4.09Å; K326-S538 WeakPolarHBondContact CD-OG 3.42Å; K326-S538 WeakPolarHBondContact CE-OG 3.48Å; K326-S538 PolarHBondContact NZ-OG 2.97Å; K326-D541 IonicContact NZ-OD2 3.17Å; K326-D541 PolarHBondContact NZ-OD2 3.2Å
327	L	97.9	Very high	96.6	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-76	-41.6	177.5	-74	170.4	0	0	0	112.2	L319 E323 L324 E325 S329 R330 K331 L427 H431 Y494	L319-L327 HydrophobicContact CD1-CD1 4.25Å; E323-L327 HydrophobicContact CG-CD1 3.87Å; E323-L327 HydrophobicContact CG-CG 4.12Å; E323-L327 VanDerWaalsContact O-CB 3.25Å; E323-L327 WeakPolarHBondContact O-CB 3.22Å; E323-L327 WeakPolarHBondContact O-CG 3.15Å; E323-L327 PolarHBondContact O-N 3.22Å; L324-L327 PolarHBondContact O-N 2.94Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.11Å; L327-S329 VanDerWaalsContact C-N 3.29Å; L327-S329 PolarHBondContact O-N 2.96Å; L327-R330 PolarHBondContact O-N 3.19Å; L327-K331 HydrophobicContact CB-CG 4.49Å; L327-K331 HydrophobicContact CD2-CD 4.47Å; L327-K331 HydrophobicContact CD2-CG 3.86Å; L327-K331 WeakPolarHBondContact O-CA 3.32Å; L327-K331 WeakPolarHBondContact O-CB 3.47Å; L327-K331 WeakPolarHBondContact O-CG 3.29Å; L327-K331 PolarHBondContact O-N 2.67Å; L327-L427 HydrophobicContact CB-CD1 4.34Å; L327-L427 HydrophobicContact CB-CD2 3.9Å; L327-L427 HydrophobicContact CD1-CD1 4.49Å; L327-H431 WeakPolarHBondContact CD1-ND1 3.4Å; L327-Y494 WeakPolarHBondContact CD1-OH 3.03Å
328	A	97.7	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-58.7	-42.9	175.5	0	0	0	0	0	111.1	L324 E325 L332 Q333 M334 A339 L424	L324-A328 WeakPolarHBondContact O-CB 3.46Å; L324-A328 PolarHBondContact O-N 3.34Å; E325-A328 PolarHBondContact O-N 2.93Å; A328-L332 CarbonylContact O-C 3.48Å; A328-L332 WeakPolarHBondContact O-CA 3.44Å; A328-L332 WeakPolarHBondContact O-CB 3.43Å; A328-L332 PolarHBondContact O-N 3.28Å; A328-Q333 PolarHBondContact O-N 3.09Å; A328-M334 HydrophobicContact CB-CB 4.26Å; A328-M334 PolarHBondContact O-N 3.44Å; A328-M334 VanDerWaalsContact O-N 3.08Å; A328-A339 HydrophobicContact CB-CB 3.51Å; A328-L424 HydrophobicContact CB-CD1 4.1Å
329	S	95.3	Very high	96.5	Very high	21 Å²	21	32.8 Å²	32.8	15%	0.147	15%	0.153	C	C	.	.	I	π-helix	trans	-64.4	-55.4	172.5	179	0	0	0	0	112.6	E325 L327 K331 Q333 M334	E325-S329 WeakPolarHBondContact O-CB 3.49Å; E325-S329 PolarHBondContact O-N 2.6Å; L327-S329 VanDerWaalsContact C-N 3.29Å; L327-S329 PolarHBondContact O-N 2.96Å; S329-K331 PolarHBondContact O-N 2.75Å; S329-Q333 WeakPolarHBondContact O-CA 3.49Å; S329-Q333 PolarHBondContact O-N 3.4Å; S329-M334 VanDerWaalsContact CA-O 3.23Å; S329-M334 WeakPolarHBondContact CA-O 3.43Å; S329-M334 PolarHBondContact N-O 2.85Å
330	R	94.7	Very high	96.4	Very high	120 Å²	120	32.8 Å²	32.8	45%	0.453	15%	0.153	S	C	.	.	I	π-helix	trans	-70.9	-29.1	-174.6	-72.3	173.2	-62.2	164.4	5.1	115.2	E323 K326 L327 A534	E323-R330 VanDerWaalsContact CD-NH2 3.31Å; E323-R330 IonicContact OE1-CZ 3.16Å; E323-R330 IonicContact OE1-NH1 2.82Å; E323-R330 IonicContact OE1-NH2 2.67Å; E323-R330 PolarHBondContact OE1-NH2 2.89Å; E323-R330 IonicContact OE2-NH2 3.91Å; E323-R330 PolarHBondContact OE2-NH2 2.96Å; K326-R330 WeakPolarHBondContact O-CB 3.45Å; K326-R330 VanDerWaalsContact O-CG 3.3Å; K326-R330 WeakPolarHBondContact O-CG 3.47Å; K326-R330 PolarHBondContact O-N 3.32Å; K326-R330 PolarHBondContact O-NE 2.75Å; L327-R330 PolarHBondContact O-N 3.19Å; R330-A534 HydrophobicContact CG-CB 3.57Å
331	K	96	Very high	96.4	Very high	68 Å²	68	37.3 Å²	37.3	30%	0.296	17%	0.174	S	C	.	.	I	π-helix	trans	-115.9	-33.2	-168.7	-47.9	-68.8	-166.4	167.1	0	113.1	L327 S329 Y496 D497	L327-K331 HydrophobicContact CB-CG 4.49Å; L327-K331 HydrophobicContact CD2-CD 4.47Å; L327-K331 HydrophobicContact CD2-CG 3.86Å; L327-K331 WeakPolarHBondContact O-CA 3.32Å; L327-K331 WeakPolarHBondContact O-CB 3.47Å; L327-K331 WeakPolarHBondContact O-CG 3.29Å; L327-K331 PolarHBondContact O-N 2.67Å; S329-K331 PolarHBondContact O-N 2.75Å; K331-Y496 HydrophobicContact CB-CD1 3.87Å; K331-Y496 HydrophobicContact CB-CE1 4.5Å; K331-Y496 HydrophobicContact CG-CD1 4.33Å; K331-Y496 PolarHBondContact NZ-O 3.31Å; K331-D497 IonicContact NZ-OD1 3.85Å; K331-D497 PolarHBondContact NZ-OD1 2.88Å; K331-D497 VanDerWaalsContact NZ-OD1 3.14Å
332	L	96.3	Very high	96.4	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.047	17%	0.174	C	C	.	.	I	π-helix	trans	-105	-8.1	179.8	-53.2	-178.5	0	0	0	113.7	A328 M334 R423 L424 L427 Y496	A328-L332 CarbonylContact O-C 3.48Å; A328-L332 WeakPolarHBondContact O-CA 3.44Å; A328-L332 WeakPolarHBondContact O-CB 3.43Å; A328-L332 PolarHBondContact O-N 3.28Å; L332-M334 HydrophobicContact CB-CE 4.02Å; L332-M334 HydrophobicContact CB-CG 3.89Å; L332-M334 HydrophobicContact CB-SD 3.86Å; L332-M334 HydrophobicContact CD1-CE 3.96Å; L332-M334 HydrophobicContact CD1-SD 3.78Å; L332-M334 HydrophobicContact CG-SD 4.5Å; L332-M334 PolarHBondContact O-N 2.92Å; L332-R423 PolarHBondContact O-NH2 3.45Å; L332-L424 HydrophobicContact CD1-CB 4.45Å; L332-L424 HydrophobicContact CD1-CD1 3.78Å; L332-L427 HydrophobicContact CD1-CB 4.05Å; L332-L427 HydrophobicContact CD1-CD2 3.71Å; L332-L427 HydrophobicContact CG-CD2 4.09Å; L332-Y496 HydrophobicContact CD2-CE1 4.13Å
333	Q	94.2	Very high	96.5	Very high	179 Å²	179	36.6 Å²	36.6	84%	0.836	17%	0.17	S	C	*	.			trans	60.2	31.7	-175.1	-56.8	178.2	-10.6	0	0	113.2	A328 S329	A328-Q333 PolarHBondContact O-N 3.09Å; S329-Q333 WeakPolarHBondContact O-CA 3.49Å; S329-Q333 PolarHBondContact O-N 3.4Å
334	M	94.4	Very high	96.3	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.039	17%	0.166	C	C	.	.			trans	-98.2	134.6	177.4	-62.8	172.8	177.6	0	0	110.6	A328 S329 L332 Y338 A339 L342 D420 R423 L424	A328-M334 HydrophobicContact CB-CB 4.26Å; A328-M334 PolarHBondContact O-N 3.44Å; A328-M334 VanDerWaalsContact O-N 3.08Å; S329-M334 VanDerWaalsContact CA-O 3.23Å; S329-M334 WeakPolarHBondContact CA-O 3.43Å; S329-M334 PolarHBondContact N-O 2.85Å; L332-M334 HydrophobicContact CB-CE 4.02Å; L332-M334 HydrophobicContact CB-CG 3.89Å; L332-M334 HydrophobicContact CB-SD 3.86Å; L332-M334 HydrophobicContact CD1-CE 3.96Å; L332-M334 HydrophobicContact CD1-SD 3.78Å; L332-M334 HydrophobicContact CG-SD 4.5Å; L332-M334 PolarHBondContact O-N 2.92Å; M334-Y338 HydrophobicContact CB-CD1 4.44Å; M334-Y338 HydrophobicContact CG-CD1 4.4Å; M334-A339 HydrophobicContact CB-CB 4.34Å; M334-L342 HydrophobicContact CE-CD1 4.23Å; M334-L342 HydrophobicContact SD-CD1 3.93Å; M334-D420 HydrophobicContact CE-CB 3.57Å; M334-D420 WeakPolarHBondContact CE-OD1 3.41Å; M334-R423 HydrophobicContact CE-CB 4.04Å; M334-L424 HydrophobicContact SD-CD1 4.3Å
335	G	93.1	Very high	96.1	Very high	26 Å²	26	40.3 Å²	40.3	27%	0.268	18%	0.183	S	C	.	.			trans	-65.3	147.9	168.5	0	0	0	0	0	111.3	K337 Y338 A339 E533	G335-K337 PolarHBondContact O-N 2.98Å; G335-Y338 PolarHBondContact O-N 2.96Å; G335-Y338 VanDerWaalsContact O-N 3.07Å; G335-A339 PolarHBondContact O-N 2.65Å; G335-E533 WeakPolarHBondContact CA-OE2 3.46Å
336	A	95.1	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-44.1	-167.8	0	0	0	0	0	112.3	E325 Y338 A339 M340 E533 I537 A552	E325-A336 HydrophobicContact CB-CB 4.07Å; E325-A336 HydrophobicContact CG-CB 4.09Å; A336-Y338 VanDerWaalsContact C-N 3.32Å; A336-Y338 PolarHBondContact O-N 3.01Å; A336-A339 PolarHBondContact O-N 2.88Å; A336-M340 WeakPolarHBondContact O-CG 3.46Å; A336-M340 PolarHBondContact O-N 2.85Å; A336-E533 HydrophobicContact CB-CG 4.31Å; A336-E533 WeakPolarHBondContact CB-OE1 3.37Å; A336-E533 PolarHBondContact N-OE1 2.95Å; A336-I537 HydrophobicContact CB-CD1 4.02Å; A336-A552 HydrophobicContact CB-CB 3.84Å
337	K	95.7	Very high	95.8	Very high	66 Å²	66	39.6 Å²	39.6	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-59.3	-40.1	176.1	-174.3	173.5	-179.6	172.8	0	113.1	G335 M340 Q341 A552 E556	G335-K337 PolarHBondContact O-N 2.98Å; K337-M340 PolarHBondContact O-N 2.93Å; K337-Q341 WeakPolarHBondContact O-CB 3.49Å; K337-Q341 VanDerWaalsContact O-CG 3.28Å; K337-Q341 WeakPolarHBondContact O-CG 3.4Å; K337-Q341 PolarHBondContact O-N 2.81Å; K337-A552 HydrophobicContact CB-CB 4.12Å; K337-E556 HydrophobicContact CB-CB 4.46Å; K337-E556 HydrophobicContact CD-CB 3.71Å; K337-E556 HydrophobicContact CD-CG 3.47Å; K337-E556 VanDerWaalsContact CD-CG 3.47Å
338	Y	97.1	Very high	95.4	Very high	95 Å²	95	40.3 Å²	40.3	37%	0.373	18%	0.184	S	C	.	.	H	α-helix	trans	-70.3	-41	178.2	-176.1	-114.3	0	0	0	111.5	M334 G335 A336 M340 Q341 L342 D420	M334-Y338 HydrophobicContact CB-CD1 4.44Å; M334-Y338 HydrophobicContact CG-CD1 4.4Å; G335-Y338 PolarHBondContact O-N 2.96Å; G335-Y338 VanDerWaalsContact O-N 3.07Å; A336-Y338 VanDerWaalsContact C-N 3.32Å; A336-Y338 PolarHBondContact O-N 3.01Å; Y338-M340 VanDerWaalsContact C-N 3.33Å; Y338-M340 PolarHBondContact O-N 2.95Å; Y338-Q341 PolarHBondContact O-N 2.99Å; Y338-L342 HydrophobicContact CD1-CD1 3.77Å; Y338-L342 HydrophobicContact CE1-CD1 3.49Å; Y338-L342 VanDerWaalsContact CE1-CD1 3.49Å; Y338-L342 HydrophobicContact CE1-CG 4.31Å; Y338-L342 HydrophobicContact CG-CD1 4.43Å; Y338-L342 WeakPolarHBondContact O-CG 3.24Å; Y338-L342 PolarHBondContact O-N 3.23Å; Y338-D420 HydrophobicContact CE1-CB 4.15Å; Y338-D420 PolarHBondContact OH-OD2 3.45Å
339	A	97.8	Very high	94.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-42.2	172.7	0	0	0	0	0	111.8	A328 M334 G335 A336 L342 A343 L424	A328-A339 HydrophobicContact CB-CB 3.51Å; M334-A339 HydrophobicContact CB-CB 4.34Å; G335-A339 PolarHBondContact O-N 2.65Å; A336-A339 PolarHBondContact O-N 2.88Å; A339-L342 WeakPolarHBondContact O-CB 3.42Å; A339-L342 PolarHBondContact O-N 2.98Å; A339-A343 WeakPolarHBondContact O-CB 3.43Å; A339-A343 PolarHBondContact O-N 2.92Å; A339-L424 VanDerWaalsContact O-CD2 3.24Å; A339-L424 WeakPolarHBondContact O-CD2 3.35Å
340	M	97.1	Very high	94.7	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-39.7	175.8	-70.4	-55.6	-67.5	0	0	112.8	T321 E325 A336 K337 Y338 L342 A343 E344 P355 R356	T321-M340 HydrophobicContact CG2-CE 3.6Å; T321-M340 HydrophobicContact CG2-SD 3.63Å; E325-M340 HydrophobicContact CG-CG 4.04Å; E325-M340 HydrophobicContact CG-SD 4.12Å; A336-M340 WeakPolarHBondContact O-CG 3.46Å; A336-M340 PolarHBondContact O-N 2.85Å; K337-M340 PolarHBondContact O-N 2.93Å; Y338-M340 VanDerWaalsContact C-N 3.33Å; Y338-M340 PolarHBondContact O-N 2.95Å; M340-L342 VanDerWaalsContact C-N 3.28Å; M340-L342 PolarHBondContact O-N 2.82Å; M340-A343 PolarHBondContact O-N 2.91Å; M340-E344 VanDerWaalsContact O-CB 3.31Å; M340-E344 WeakPolarHBondContact O-CB 3.32Å; M340-E344 PolarHBondContact O-N 3.04Å; M340-P355 HydrophobicContact CE-CB 4.35Å; M340-R356 HydrophobicContact CE-CG 3.72Å
341	Q	96.6	Very high	94.7	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-65.5	-26.8	172.9	-74.2	172.9	-25.3	0	0	113.8	K337 Y338 R345	K337-Q341 WeakPolarHBondContact O-CB 3.49Å; K337-Q341 VanDerWaalsContact O-CG 3.28Å; K337-Q341 WeakPolarHBondContact O-CG 3.4Å; K337-Q341 PolarHBondContact O-N 2.81Å; Y338-Q341 PolarHBondContact O-N 2.99Å; Q341-R345 WeakPolarHBondContact O-CG 3.42Å; Q341-R345 PolarHBondContact O-N 2.86Å; Q341-R345 PolarHBondContact O-NE 2.74Å
342	L	97.5	Very high	94.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-76.1	-46.8	170.8	-75.7	163	0	0	0	110.9	M334 Y338 A339 M340 E344 R345 L346 D420 E421 L424	M334-L342 HydrophobicContact CE-CD1 4.23Å; M334-L342 HydrophobicContact SD-CD1 3.93Å; Y338-L342 HydrophobicContact CD1-CD1 3.77Å; Y338-L342 HydrophobicContact CE1-CD1 3.49Å; Y338-L342 VanDerWaalsContact CE1-CD1 3.49Å; Y338-L342 HydrophobicContact CE1-CG 4.31Å; Y338-L342 HydrophobicContact CG-CD1 4.43Å; Y338-L342 WeakPolarHBondContact O-CG 3.24Å; Y338-L342 PolarHBondContact O-N 3.23Å; A339-L342 WeakPolarHBondContact O-CB 3.42Å; A339-L342 PolarHBondContact O-N 2.98Å; M340-L342 VanDerWaalsContact C-N 3.28Å; M340-L342 PolarHBondContact O-N 2.82Å; L342-E344 PolarHBondContact O-N 3.15Å; L342-R345 VanDerWaalsContact CD2-NH2 3.27Å; L342-R345 WeakPolarHBondContact O-CB 3.36Å; L342-R345 PolarHBondContact O-N 3.34Å; L342-L346 WeakPolarHBondContact O-CG 3.45Å; L342-L346 PolarHBondContact O-N 3.46Å; L342-D420 HydrophobicContact CD1-CB 3.79Å; L342-D420 HydrophobicContact CD2-CB 4.13Å; L342-E421 HydrophobicContact CD2-CB 4.36Å; L342-E421 HydrophobicContact CD2-CG 3.5Å; L342-L424 HydrophobicContact CB-CD2 3.48Å; L342-L424 VanDerWaalsContact CB-CD2 3.48Å; L342-L424 HydrophobicContact CD1-CD2 4.45Å
343	A	97.8	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-42.9	178.3	0	0	0	0	0	111.9	L324 A339 M340 R345 L346 Y347 I352 P355 L424	L324-A343 HydrophobicContact CD2-CB 4.19Å; A339-A343 WeakPolarHBondContact O-CB 3.43Å; A339-A343 PolarHBondContact O-N 2.92Å; M340-A343 PolarHBondContact O-N 2.91Å; A343-R345 VanDerWaalsContact C-N 3.31Å; A343-R345 PolarHBondContact O-N 3.1Å; A343-L346 PolarHBondContact O-N 2.92Å; A343-L346 VanDerWaalsContact O-N 3.15Å; A343-Y347 PolarHBondContact O-N 3.11Å; A343-I352 HydrophobicContact CB-CD1 4.09Å; A343-P355 HydrophobicContact CB-CB 3.62Å; A343-P355 HydrophobicContact CB-CG 4.04Å; A343-L424 HydrophobicContact CB-CD2 4.07Å
344	E	94.1	Very high	94.8	Very high	36 Å²	36	27.3 Å²	27.3	17%	0.168	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-34.9	177.1	-161.1	177.2	127.3	0	0	111.7	K34 M340 L342 N348 R356	K34-E344 IonicContact NZ-OE1 2.73Å; K34-E344 PolarHBondContact NZ-OE1 3.29Å; M340-E344 VanDerWaalsContact O-CB 3.31Å; M340-E344 WeakPolarHBondContact O-CB 3.32Å; M340-E344 PolarHBondContact O-N 3.04Å; L342-E344 PolarHBondContact O-N 3.15Å; E344-N348 WeakPolarHBondContact O-CB 3.41Å; E344-N348 PolarHBondContact O-N 2.97Å; E344-N348 PolarHBondContact O-ND2 2.78Å; E344-R356 IonicContact OE2-CZ 2.7Å; E344-R356 IonicContact OE2-NE 2.73Å; E344-R356 IonicContact OE2-NH2 2.69Å; E344-R356 PolarHBondContact OE2-NH2 3.01Å
345	R	93.8	Very high	94.8	Very high	96 Å²	96	26.9 Å²	26.9	36%	0.362	13%	0.126	S	C	.	.	H	α-helix	trans	-67.3	-42.2	170.2	-82.2	-176.6	-75.9	157.7	-19.4	112.7	Q341 L342 A343 Y347 N348 K349 E421	Q341-R345 WeakPolarHBondContact O-CG 3.42Å; Q341-R345 PolarHBondContact O-N 2.86Å; Q341-R345 PolarHBondContact O-NE 2.74Å; L342-R345 VanDerWaalsContact CD2-NH2 3.27Å; L342-R345 WeakPolarHBondContact O-CB 3.36Å; L342-R345 PolarHBondContact O-N 3.34Å; A343-R345 VanDerWaalsContact C-N 3.31Å; A343-R345 PolarHBondContact O-N 3.1Å; R345-Y347 VanDerWaalsContact C-N 3.34Å; R345-N348 PolarHBondContact O-N 3.01Å; R345-K349 WeakPolarHBondContact O-CB 3.37Å; R345-K349 VanDerWaalsContact O-CG 3.25Å; R345-K349 WeakPolarHBondContact O-CG 3.32Å; R345-K349 PolarHBondContact O-N 2.83Å; R345-E421 IonicContact CZ-OE1 2.73Å; R345-E421 IonicContact NE-OE1 3.61Å; R345-E421 IonicContact NH1-OE1 3.65Å; R345-E421 PolarHBondContact NH1-OE1 3.38Å
346	L	95.8	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-39.9	176.8	-69.7	172.1	0	0	0	111.5	L342 A343 K349 G350 F351 I352 L417 E421 L424	L342-L346 WeakPolarHBondContact O-CG 3.45Å; L342-L346 PolarHBondContact O-N 3.46Å; A343-L346 PolarHBondContact O-N 2.92Å; A343-L346 VanDerWaalsContact O-N 3.15Å; L346-K349 PolarHBondContact O-N 3.1Å; L346-G350 PolarHBondContact O-N 2.77Å; L346-G350 VanDerWaalsContact O-N 3.14Å; L346-F351 HydrophobicContact CB-CB 4.37Å; L346-F351 HydrophobicContact CD2-CB 4.22Å; L346-F351 HydrophobicContact CD2-CD2 4.34Å; L346-F351 HydrophobicContact CD2-CG 4.44Å; L346-F351 PolarHBondContact O-N 3.31Å; L346-I352 HydrophobicContact CB-CD1 3.9Å; L346-I352 HydrophobicContact CB-CG1 3.78Å; L346-I352 HydrophobicContact CB-CG2 4.48Å; L346-I352 HydrophobicContact CD1-CD1 4.48Å; L346-L417 HydrophobicContact CD2-CD1 3.55Å; L346-L417 HydrophobicContact CD2-CD2 3.79Å; L346-L417 HydrophobicContact CD2-CG 4.33Å; L346-E421 HydrophobicContact CD2-CB 4.2Å; L346-L424 HydrophobicContact CD1-CB 4.38Å; L346-L424 HydrophobicContact CD1-CD2 4.42Å
347	Y	94	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-50.8	173.1	160.3	-105.1	0	0	0	112.4	D140 F170 I173 A343 R345 K349 G350 Y354	D140-Y347 VanDerWaalsContact OD1-CE1 3.31Å; D140-Y347 WeakPolarHBondContact OD1-CE1 3.41Å; D140-Y347 PolarHBondContact OD1-OH 3.31Å; F170-Y347 WeakPolarHBondContact CE2-OH 3.35Å; I173-Y347 HydrophobicContact CD1-CE1 4.35Å; I173-Y347 HydrophobicContact CG1-CE2 4.04Å; A343-Y347 PolarHBondContact O-N 3.11Å; R345-Y347 VanDerWaalsContact C-N 3.34Å; Y347-K349 PolarHBondContact O-N 2.87Å; Y347-G350 WeakPolarHBondContact O-CA 3.09Å; Y347-G350 PolarHBondContact O-N 3.36Å; Y347-Y354 AromaticContact CD1-CD2 3.92Å; Y347-Y354 HydrophobicContact CD1-CD2 3.92Å; Y347-Y354 HydrophobicContact CD1-CE2 4.36Å; Y347-Y354 HydrophobicContact CD2-CD2 4.1Å; Y347-Y354 AromaticContact CE1-CD2 3.59Å; Y347-Y354 HydrophobicContact CE1-CD2 3.59Å; Y347-Y354 AromaticContact CE1-CE2 3.93Å; Y347-Y354 HydrophobicContact CE1-CE2 3.93Å; Y347-Y354 AromaticContact CE2-CD2 3.78Å; Y347-Y354 HydrophobicContact CE2-CD2 3.78Å; Y347-Y354 HydrophobicContact CE2-CG 4.39Å; Y347-Y354 HydrophobicContact CG-CD2 4.16Å; Y347-Y354 AromaticContact CZ-CD2 3.51Å
348	N	88.6	Confident	94.5	Very high	18 Å²	18	29.4 Å²	29.4	10%	0.096	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-32.6	178.3	-84.8	-82.3	0	0	0	112.6	N40 E344 R345 G350	N40-N348 PolarHBondContact ND2-O 3.12Å; E344-N348 WeakPolarHBondContact O-CB 3.41Å; E344-N348 PolarHBondContact O-N 2.97Å; E344-N348 PolarHBondContact O-ND2 2.78Å; R345-N348 PolarHBondContact O-N 3.01Å; N348-G350 VanDerWaalsContact C-N 3.3Å
349	K	88.7	Confident	94.4	Very high	93 Å²	93	24.9 Å²	24.9	40%	0.404	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.4	172.5	-68.4	175.7	-171.7	-177.4	0	114	R345 L346 Y347 F351 K412 E421	R345-K349 WeakPolarHBondContact O-CB 3.37Å; R345-K349 VanDerWaalsContact O-CG 3.25Å; R345-K349 WeakPolarHBondContact O-CG 3.32Å; R345-K349 PolarHBondContact O-N 2.83Å; L346-K349 PolarHBondContact O-N 3.1Å; Y347-K349 PolarHBondContact O-N 2.87Å; K349-F351 HydrophobicContact CB-CD2 3.54Å; K349-F351 HydrophobicContact CB-CE2 3.71Å; K349-F351 HydrophobicContact CD-CD2 4.42Å; K349-F351 HydrophobicContact CD-CE2 4.16Å; K349-K412 PolarHBondContact O-NZ 2.99Å; K349-E421 IonicContact NZ-OE1 3.19Å; K349-E421 PolarHBondContact NZ-OE1 3.4Å; K349-E421 IonicContact NZ-OE2 2.87Å; K349-E421 PolarHBondContact NZ-OE2 3.29Å
350	G	90.5	Very high	94.3	Very high	11 Å²	11	27.2 Å²	27.2	11%	0.113	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	32.2	179.2	0	0	0	0	0	115.2	L346 Y347 N348 K412	L346-G350 PolarHBondContact O-N 2.77Å; L346-G350 VanDerWaalsContact O-N 3.14Å; Y347-G350 WeakPolarHBondContact O-CA 3.09Å; Y347-G350 PolarHBondContact O-N 3.36Å; N348-G350 VanDerWaalsContact C-N 3.3Å; G350-K412 WeakPolarHBondContact O-CD 3.42Å; G350-K412 WeakPolarHBondContact O-CE 3.44Å
351	F	94.1	Very high	94.2	Very high	15 Å²	15	29.9 Å²	29.9	7%	0.066	14%	0.135	C	C	.	.	S	Bend	trans	-92.5	-28.2	173.9	-71.7	-85.5	0	0	0	113.7	L346 K349 P410 L411 K412 V413 L417 Y425	L346-F351 HydrophobicContact CB-CB 4.37Å; L346-F351 HydrophobicContact CD2-CB 4.22Å; L346-F351 HydrophobicContact CD2-CD2 4.34Å; L346-F351 HydrophobicContact CD2-CG 4.44Å; L346-F351 PolarHBondContact O-N 3.31Å; K349-F351 HydrophobicContact CB-CD2 3.54Å; K349-F351 HydrophobicContact CB-CE2 3.71Å; K349-F351 HydrophobicContact CD-CD2 4.42Å; K349-F351 HydrophobicContact CD-CE2 4.16Å; F351-P410 CarbonylContact O-C 3.54Å; F351-P410 WeakPolarHBondContact O-CA 3.46Å; F351-L411 PolarHBondContact O-N 3.01Å; F351-K412 HydrophobicContact CD1-CD 4.22Å; F351-K412 VanDerWaalsContact CD1-CE 3.41Å; F351-K412 HydrophobicContact CD1-CG 3.73Å; F351-K412 HydrophobicContact CE1-CD 4.33Å; F351-K412 VanDerWaalsContact CE1-CE 3.46Å; F351-K412 HydrophobicContact CE1-CG 4.16Å; F351-K412 HydrophobicContact CG-CG 4.36Å; F351-V413 WeakPolarHBondContact CD1-O 3.31Å; F351-V413 VanDerWaalsContact CE1-O 3.22Å; F351-V413 WeakPolarHBondContact CE1-O 3.4Å; F351-L417 HydrophobicContact CD1-CD1 4.03Å; F351-L417 HydrophobicContact CD1-CD2 4.49Å; F351-L417 HydrophobicContact CD1-CG 4.31Å; F351-L417 HydrophobicContact CD2-CD2 3.99Å; F351-L417 HydrophobicContact CE1-CD1 4.25Å; F351-L417 HydrophobicContact CE1-CD2 4.17Å; F351-L417 HydrophobicContact CE1-CG 4.03Å; F351-L417 HydrophobicContact CE2-CD2 3.64Å; F351-L417 HydrophobicContact CE2-CG 4.39Å; F351-L417 HydrophobicContact CG-CD1 4.21Å; F351-L417 HydrophobicContact CG-CD2 4.4Å; F351-L417 HydrophobicContact CZ-CD2 3.74Å; F351-L417 HydrophobicContact CZ-CG 4.07Å; F351-Y425 HydrophobicContact CB-CD2 4.12Å; F351-Y425 HydrophobicContact CB-CE2 4.3Å
352	I	97.4	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-135.7	158.5	178.8	65.6	172.4	0	0	0	111.3	A343 L346 P355 I408 H409 L411 Y425 V428	A343-I352 HydrophobicContact CB-CD1 4.09Å; L346-I352 HydrophobicContact CB-CD1 3.9Å; L346-I352 HydrophobicContact CB-CG1 3.78Å; L346-I352 HydrophobicContact CB-CG2 4.48Å; L346-I352 HydrophobicContact CD1-CD1 4.48Å; I352-P355 HydrophobicContact CD1-CB 4.46Å; I352-I408 HydrophobicContact CD1-CG2 4.24Å; I352-H409 CarbonylContact C-O 3.56Å; I352-H409 VanDerWaalsContact CA-O 3.23Å; I352-H409 WeakPolarHBondContact CA-O 3.4Å; I352-H409 WeakPolarHBondContact CB-O 3.5Å; I352-L411 VanDerWaalsContact O-CD1 3.31Å; I352-L411 WeakPolarHBondContact O-CD1 3.34Å; I352-Y425 HydrophobicContact CG2-CD2 4.2Å; I352-V428 HydrophobicContact CG2-CG1 4.05Å
353	S	96	Very high	93.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-64.6	167.4	167.2	61.4	0	0	0	0	112	P407 I408 H409	S353-P407 PolarHBondContact OG-O 3.09Å; S353-P407 VanDerWaalsContact OG-O 3.05Å; S353-I408 WeakPolarHBondContact OG-CA 3.48Å; S353-H409 PolarHBondContact N-O 2.93Å; S353-H409 PolarHBondContact OG-N 3.27Å; S353-H409 PolarHBondContact OG-ND1 3.14Å
354	Y	95.2	Very high	93.5	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.02	17%	0.173	C	C	.	.			trans	-56.4	126.5	-174.3	-170.8	-113.8	0	0	0	113	D140 D142 S171 Y347 R356 H405	D140-Y354 HydrophobicContact CB-CE2 3.59Å; D140-Y354 WeakPolarHBondContact CB-OH 3.47Å; D140-Y354 WeakPolarHBondContact OD2-CE2 3.27Å; D142-Y354 HydrophobicContact CB-CE1 4.13Å; D142-Y354 PolarHBondContact OD2-OH 3.25Å; S171-Y354 WeakPolarHBondContact O-CB 3.34Å; S171-Y354 PolarHBondContact O-N 3.09Å; Y347-Y354 AromaticContact CD1-CD2 3.92Å; Y347-Y354 HydrophobicContact CD1-CD2 3.92Å; Y347-Y354 HydrophobicContact CD1-CE2 4.36Å; Y347-Y354 HydrophobicContact CD2-CD2 4.1Å; Y347-Y354 AromaticContact CE1-CD2 3.59Å; Y347-Y354 HydrophobicContact CE1-CD2 3.59Å; Y347-Y354 AromaticContact CE1-CE2 3.93Å; Y347-Y354 HydrophobicContact CE1-CE2 3.93Å; Y347-Y354 AromaticContact CE2-CD2 3.78Å; Y347-Y354 HydrophobicContact CE2-CD2 3.78Å; Y347-Y354 HydrophobicContact CE2-CG 4.39Å; Y347-Y354 HydrophobicContact CG-CD2 4.16Å; Y347-Y354 AromaticContact CZ-CD2 3.51Å; Y354-R356 HydrophobicContact CD1-CB 4.2Å; Y354-R356 WeakPolarHBondContact CD1-O 3.48Å; Y354-R356 HydrophobicContact CE1-CB 3.58Å; Y354-R356 HydrophobicContact CE1-CG 4.37Å; Y354-R356 WeakPolarHBondContact CE1-O 3.39Å; Y354-R356 PolarHBondContact O-N 3.21Å; Y354-H405 AromaticContact CD1-CD2 3.67Å; Y354-H405 AromaticContact CD1-CE1 3.4Å; Y354-H405 VanDerWaalsContact CD1-CE1 3.4Å; Y354-H405 WeakPolarHBondContact CD1-CE1 3.34Å; Y354-H405 AromaticContact CD1-CG 3.88Å; Y354-H405 AromaticContact CD1-ND1 3.65Å; Y354-H405 AromaticContact CD1-NE2 3.42Å; Y354-H405 WeakPolarHBondContact CD1-NE2 3.3Å; Y354-H405 AromaticContact CE1-CE1 3.92Å; Y354-H405 AromaticContact CE1-NE2 3.32Å; Y354-H405 VanDerWaalsContact CE1-NE2 3.32Å; Y354-H405 WeakPolarHBondContact CE1-NE2 3.22Å; Y354-H405 AromaticContact CG-CE1 3.54Å; Y354-H405 AromaticContact CG-ND1 3.92Å
355	P	95.8	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-88.1	-2	-166.1	35.1	-37.7	0	0	0	114.8	T321 M340 A343 I352 I408	T321-P355 PolarHBondContact OG1-O 3.29Å; M340-P355 HydrophobicContact CE-CB 4.35Å; A343-P355 HydrophobicContact CB-CB 3.62Å; A343-P355 HydrophobicContact CB-CG 4.04Å; I352-P355 HydrophobicContact CD1-CB 4.46Å; P355-I408 HydrophobicContact CB-CD1 4.38Å; P355-I408 WeakPolarHBondContact O-CD1 3.47Å
356	R	94.1	Very high	93	Very high	69 Å²	69	35.5 Å²	35.5	26%	0.26	19%	0.186	S	C	.	.			trans	-106	90.3	176	-58.4	174.4	-172	-88.3	-0.8	108.9	T321 M340 E344 Y354 A549	T321-R356 VanDerWaalsContact OG1-CA 3.3Å; T321-R356 WeakPolarHBondContact OG1-CA 3.4Å; M340-R356 HydrophobicContact CE-CG 3.72Å; E344-R356 IonicContact OE2-CZ 2.7Å; E344-R356 IonicContact OE2-NE 2.73Å; E344-R356 IonicContact OE2-NH2 2.69Å; E344-R356 PolarHBondContact OE2-NH2 3.01Å; Y354-R356 HydrophobicContact CD1-CB 4.2Å; Y354-R356 WeakPolarHBondContact CD1-O 3.48Å; Y354-R356 HydrophobicContact CE1-CB 3.58Å; Y354-R356 HydrophobicContact CE1-CG 4.37Å; Y354-R356 WeakPolarHBondContact CE1-O 3.39Å; Y354-R356 PolarHBondContact O-N 3.21Å; R356-A549 HydrophobicContact CB-CB 3.92Å; R356-A549 HydrophobicContact CG-CB 3.98Å
357	T	92.8	Very high	92.9	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.037	21%	0.21	C	C	.	.			trans	-152.3	142.6	-176.6	178.4	0	0	0	0	111	T321 T359 D402 I408	T321-T357 PolarHBondContact N-O 3.12Å; T321-T357 VanDerWaalsContact N-O 3.13Å; T321-T357 PolarHBondContact OG1-N 3.34Å; T321-T357 PolarHBondContact OG1-O 3.24Å; T321-T357 VanDerWaalsContact OG1-O 3.14Å; T357-T359 VanDerWaalsContact OG1-CB 3.3Å; T357-T359 WeakPolarHBondContact OG1-CB 3.46Å; T357-T359 PolarHBondContact OG1-N 3.48Å; T357-D402 WeakPolarHBondContact CA-OD2 3.4Å; T357-D402 WeakPolarHBondContact CB-OD2 3.24Å; T357-D402 PolarHBondContact OG1-OD2 3.34Å; T357-I408 HydrophobicContact CG2-CD1 4.34Å; T357-I408 HydrophobicContact CG2-CG1 3.7Å
358	E	90.7	Very high	93	Very high	69 Å²	69	40.9 Å²	40.9	32%	0.322	22%	0.215	S	C	.	.			trans	-92.9	-1.3	170.1	-62	-173.6	172	0	0	111.6	K360 S400 D402	E358-K360 PolarHBondContact O-N 3.04Å; E358-S400 VanDerWaalsContact O-CB 3.23Å; E358-S400 WeakPolarHBondContact O-CB 3.36Å; E358-S400 PolarHBondContact O-OG 3.19Å; E358-D402 PolarHBondContact N-OD2 3.24Å; E358-D402 VanDerWaalsContact N-OD2 3.11Å
359	T	93.5	Very high	93.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.236	C	C	.	.			trans	-74.9	119.9	-173	-65.4	0	0	0	0	112.5	T357 I361 S400 S401 D402 H405 P407	T357-T359 VanDerWaalsContact OG1-CB 3.3Å; T357-T359 WeakPolarHBondContact OG1-CB 3.46Å; T357-T359 PolarHBondContact OG1-N 3.48Å; T359-I361 HydrophobicContact CG2-CB 4.48Å; T359-I361 WeakPolarHBondContact CG2-O 3.46Å; T359-S400 WeakPolarHBondContact CA-O 3.33Å; T359-S401 VanDerWaalsContact OG1-CA 3.27Å; T359-S401 WeakPolarHBondContact OG1-CA 3.3Å; T359-S401 PolarHBondContact OG1-OG 3.23Å; T359-S401 VanDerWaalsContact OG1-OG 3.09Å; T359-D402 PolarHBondContact OG1-N 2.79Å; T359-D402 PolarHBondContact OG1-OD1 3.35Å; T359-D402 PolarHBondContact OG1-OD2 2.97Å; T359-H405 WeakPolarHBondContact CB-O 3.47Å; T359-H405 WeakPolarHBondContact CG2-O 3.44Å; T359-H405 PolarHBondContact OG1-O 2.66Å; T359-P407 HydrophobicContact CG2-CG 4.11Å; T359-P407 WeakPolarHBondContact O-CA 3.38Å
360	K	95.6	Very high	93.6	Very high	48 Å²	48	44 Å²	44	21%	0.209	24%	0.235	C	C	.	.			trans	-109.2	16.6	171.4	-64.4	-172.4	170.8	76.7	0	112.2	A318 D320 E358 N397 G398 S400	A318-K360 WeakPolarHBondContact CB-O 3.45Å; D320-K360 HydrophobicContact CB-CG 3.96Å; D320-K360 WeakPolarHBondContact OD1-CE 3.37Å; D320-K360 IonicContact OD1-NZ 3.22Å; D320-K360 PolarHBondContact OD1-NZ 3.38Å; D320-K360 IonicContact OD2-NZ 2.72Å; D320-K360 PolarHBondContact OD2-NZ 3.3Å; E358-K360 PolarHBondContact O-N 3.04Å; K360-N397 CarbonylContact O-C 3.51Å; K360-N397 WeakPolarHBondContact O-CA 3.37Å; K360-G398 PolarHBondContact O-N 3.1Å; K360-S400 WeakPolarHBondContact CG-OG 3.34Å; K360-S400 PolarHBondContact N-O 2.83Å
361	I	96.5	Very high	93.9	Very high	60 Å²	60	44.2 Å²	44.2	31%	0.308	23%	0.233	S	C	.	.	S	Bend	trans	-125.6	114.6	-177.3	-58.4	171.8	0	0	0	108.5	T359 N397 P407	T359-I361 HydrophobicContact CG2-CB 4.48Å; T359-I361 WeakPolarHBondContact CG2-O 3.46Å; I361-N397 WeakPolarHBondContact CA-OD1 3.35Å; I361-N397 HydrophobicContact CB-CB 4.47Å; I361-N397 HydrophobicContact CG1-CB 4.31Å; I361-N397 HydrophobicContact CG2-CB 4.3Å; I361-P407 WeakPolarHBondContact O-CD 3.41Å
362	F	95.2	Very high	94.1	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.053	23%	0.23	C	C	.	.			trans	-65.5	127.3	170	-68.1	-72.7	0	0	0	109.6	A318 L366 L368 P395 N397 P407 H409 F432 L436	A318-F362 HydrophobicContact CB-CD2 3.86Å; A318-F362 HydrophobicContact CB-CE2 3.38Å; A318-F362 HydrophobicContact CB-CZ 3.9Å; F362-L366 HydrophobicContact CD1-CD2 3.81Å; F362-L368 HydrophobicContact CB-CD1 4.45Å; F362-L368 HydrophobicContact CB-CD2 4.47Å; F362-L368 HydrophobicContact CD1-CD2 3.93Å; F362-L368 HydrophobicContact CE1-CD2 4.31Å; F362-L368 HydrophobicContact CG-CD2 4.08Å; F362-P395 HydrophobicContact CD2-CB 3.76Å; F362-P395 HydrophobicContact CE2-CB 4.36Å; F362-N397 PolarHBondContact N-OD1 3Å; F362-P407 HydrophobicContact CD1-CB 4.21Å; F362-P407 HydrophobicContact CD1-CG 3.72Å; F362-P407 HydrophobicContact CD2-CG 4.31Å; F362-P407 HydrophobicContact CE1-CB 3.78Å; F362-P407 HydrophobicContact CE1-CG 3.82Å; F362-P407 HydrophobicContact CE2-CG 4.41Å; F362-P407 HydrophobicContact CG-CG 3.98Å; F362-P407 HydrophobicContact CZ-CB 3.99Å; F362-P407 HydrophobicContact CZ-CG 4.16Å; F362-H409 HydrophobicContact CE1-CB 4.17Å; F362-F432 HydrophobicContact CE1-CD2 4.2Å; F362-F432 HydrophobicContact CE1-CE2 4.01Å; F362-F432 AromaticContact CZ-CD2 3.81Å; F362-F432 HydrophobicContact CZ-CD2 3.81Å; F362-F432 AromaticContact CZ-CE2 3.94Å; F362-F432 HydrophobicContact CZ-CE2 3.94Å; F362-L436 HydrophobicContact CE2-CD2 4.49Å
363	P	91.9	Very high	94.1	Very high	45 Å²	45	49 Å²	49	29%	0.292	26%	0.256	S	S	.	.			trans	-73.5	150.7	-179.8	32.1	-34.9	0	0	0	110.7	D365 L366 P406	P363-D365 PolarHBondContact O-N 2.92Å; P363-L366 HydrophobicContact CG-CB 4.08Å; P363-L366 WeakPolarHBondContact O-CB 3.49Å; P363-L366 PolarHBondContact O-N 3.15Å; P363-P406 HydrophobicContact CG-CB 4.21Å
364	P	89.4	Confident	94	Very high	141 Å²	141	51.3 Å²	51.3	92%	0.916	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.5	-168.1	29.7	-36.7	0	0	0	114.7
365	D	87.3	Confident	94.1	Very high	121 Å²	121	51 Å²	51	65%	0.647	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.6	176.7	63.9	-43.6	0	0	0	113.8	P363	P363-D365 PolarHBondContact O-N 2.92Å
366	L	89.8	Confident	94.1	Very high	31 Å²	31	53.5 Å²	53.5	16%	0.162	28%	0.281	C	S	.	.	S	Bend	trans	-82.4	115.3	172.8	-174.6	69.9	0	0	0	110.5	F362 P363 L368 L371 P406	F362-L366 HydrophobicContact CD1-CD2 3.81Å; P363-L366 HydrophobicContact CG-CB 4.08Å; P363-L366 WeakPolarHBondContact O-CB 3.49Å; P363-L366 PolarHBondContact O-N 3.15Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L366-L368 HydrophobicContact CD2-CD2 4.08Å; L366-L368 HydrophobicContact CG-CD2 4.49Å; L366-L368 PolarHBondContact O-N 3.34Å; L366-L371 HydrophobicContact CD1-CD1 4.05Å; L366-L371 HydrophobicContact CD2-CD1 4.01Å; L366-L371 HydrophobicContact CG-CD1 3.91Å; L366-P406 HydrophobicContact CD2-CB 4.24Å
367	D	93	Very high	94.1	Very high	92 Å²	92	55.9 Å²	55.9	49%	0.492	30%	0.299	S	S	.	.			trans	-73.6	84.9	177.9	-176.5	0.1	0	0	0	112.1	K369 S370 L371	D367-K369 PolarHBondContact O-N 3.42Å; D367-K369 WeakPolarHBondContact OD1-CA 3.41Å; D367-K369 WeakPolarHBondContact OD1-CB 3.41Å; D367-K369 PolarHBondContact OD1-N 3.46Å; D367-S370 PolarHBondContact O-N 2.84Å; D367-S370 PolarHBondContact O-OG 3Å; D367-S370 PolarHBondContact OD1-N 3.15Å; D367-S370 WeakPolarHBondContact OD2-CB 3.14Å; D367-L371 PolarHBondContact O-N 2.85Å
368	L	96.3	Very high	94.2	Very high	22 Å²	22	56.1 Å²	56.1	12%	0.115	30%	0.3	C	S	.	.	H	α-helix	trans	-57.5	-24.9	173.4	-64.6	176.2	0	0	0	113.6	F362 L366 L371 V372 P393 P395 F432 L436	F362-L368 HydrophobicContact CB-CD1 4.45Å; F362-L368 HydrophobicContact CB-CD2 4.47Å; F362-L368 HydrophobicContact CD1-CD2 3.93Å; F362-L368 HydrophobicContact CE1-CD2 4.31Å; F362-L368 HydrophobicContact CG-CD2 4.08Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L366-L368 HydrophobicContact CD2-CD2 4.08Å; L366-L368 HydrophobicContact CG-CD2 4.49Å; L366-L368 PolarHBondContact O-N 3.34Å; L368-L371 HydrophobicContact CD2-CD1 4.3Å; L368-V372 VanDerWaalsContact O-CG2 3.3Å; L368-V372 WeakPolarHBondContact O-CG2 3.32Å; L368-V372 PolarHBondContact O-N 3.42Å; L368-V372 VanDerWaalsContact O-N 3.14Å; L368-P393 HydrophobicContact CB-CB 4.09Å; L368-P393 HydrophobicContact CB-CG 4.25Å; L368-P395 HydrophobicContact CD1-CB 4.07Å; L368-P395 HydrophobicContact CD1-CG 3.78Å; L368-F432 HydrophobicContact CD2-CE2 3.93Å; L368-F432 HydrophobicContact CD2-CZ 4.16Å; L368-L436 HydrophobicContact CD1-CD2 3.9Å; L368-L436 HydrophobicContact CD2-CD2 4.33Å
369	K	96.5	Very high	94.3	Very high	121 Å²	121	58.1 Å²	58.1	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-72.8	-43.4	177	-64.7	-173.7	177.3	-172.5	0	110.6	D367 L371 V372 H373 L389 P393	D367-K369 PolarHBondContact O-N 3.42Å; D367-K369 WeakPolarHBondContact OD1-CA 3.41Å; D367-K369 WeakPolarHBondContact OD1-CB 3.41Å; D367-K369 PolarHBondContact OD1-N 3.46Å; K369-L371 VanDerWaalsContact C-N 3.3Å; K369-L371 PolarHBondContact O-N 3.42Å; K369-V372 PolarHBondContact O-N 3.47Å; K369-H373 WeakPolarHBondContact O-CB 3.4Å; K369-H373 PolarHBondContact O-N 2.96Å; K369-L389 HydrophobicContact CB-CD2 4.14Å; K369-P393 HydrophobicContact CG-CG 3.98Å
370	S	94.9	Very high	94.4	Very high	56 Å²	56	62.3 Å²	62.3	39%	0.392	34%	0.337	S	S	.	.	H	α-helix	trans	-57.9	-44.1	175	74	0	0	0	0	111.8	D367 H373 V374	D367-S370 PolarHBondContact O-N 2.84Å; D367-S370 PolarHBondContact O-OG 3Å; D367-S370 PolarHBondContact OD1-N 3.15Å; D367-S370 WeakPolarHBondContact OD2-CB 3.14Å; S370-H373 PolarHBondContact O-N 3.24Å; S370-V374 WeakPolarHBondContact O-CG2 3.35Å; S370-V374 PolarHBondContact O-N 3.41Å
371	L	96	Very high	94.4	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.073	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-42.2	-179.9	-65.7	169.3	0	0	0	112.4	L366 D367 L368 K369 Q375 L411 F432	L366-L371 HydrophobicContact CD1-CD1 4.05Å; L366-L371 HydrophobicContact CD2-CD1 4.01Å; L366-L371 HydrophobicContact CG-CD1 3.91Å; D367-L371 PolarHBondContact O-N 2.85Å; L368-L371 HydrophobicContact CD2-CD1 4.3Å; K369-L371 VanDerWaalsContact C-N 3.3Å; K369-L371 PolarHBondContact O-N 3.42Å; L371-Q375 WeakPolarHBondContact O-CG 3.36Å; L371-L411 HydrophobicContact CD2-CD2 4.12Å; L371-F432 HydrophobicContact CB-CE1 4.07Å; L371-F432 HydrophobicContact CB-CZ 3.71Å; L371-F432 HydrophobicContact CD1-CZ 4.15Å
372	V	97.8	Very high	94.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-39.4	174.4	175.5	0	0	0	0	111.6	L368 K369 V374 Q375 A385 I388 L389 F432 L433 L436	L368-V372 VanDerWaalsContact O-CG2 3.3Å; L368-V372 WeakPolarHBondContact O-CG2 3.32Å; L368-V372 PolarHBondContact O-N 3.42Å; L368-V372 VanDerWaalsContact O-N 3.14Å; K369-V372 PolarHBondContact O-N 3.47Å; V372-V374 VanDerWaalsContact C-N 3.3Å; V372-V374 PolarHBondContact O-N 3.5Å; V372-Q375 WeakPolarHBondContact O-CB 3.28Å; V372-Q375 PolarHBondContact O-N 3.12Å; V372-A385 HydrophobicContact CG1-CB 3.93Å; V372-A385 WeakPolarHBondContact CG1-O 3.25Å; V372-I388 HydrophobicContact CG1-CB 4.11Å; V372-I388 HydrophobicContact CG1-CG2 3.99Å; V372-I388 HydrophobicContact CG2-CG2 4.07Å; V372-L389 HydrophobicContact CB-CD2 3.97Å; V372-L389 HydrophobicContact CB-CG 4.36Å; V372-L389 HydrophobicContact CG1-CD1 4.26Å; V372-L389 HydrophobicContact CG1-CD2 3.94Å; V372-L389 HydrophobicContact CG1-CG 3.77Å; V372-F432 HydrophobicContact CG2-CE1 3.9Å; V372-F432 HydrophobicContact CG2-CZ 4.36Å; V372-L433 HydrophobicContact CG1-CD2 4.16Å; V372-L433 HydrophobicContact CG2-CD2 4.15Å; V372-L436 HydrophobicContact CG2-CD1 3.35Å
373	H	97.2	Very high	94.5	Very high	116 Å²	116	63.3 Å²	63.3	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-59.5	-38.2	179.7	-177.5	-77.6	0	0	0	112.8	K369 S370 Q375 I376 L389	K369-H373 WeakPolarHBondContact O-CB 3.4Å; K369-H373 PolarHBondContact O-N 2.96Å; S370-H373 PolarHBondContact O-N 3.24Å; H373-Q375 PolarHBondContact O-N 3.23Å; H373-I376 WeakPolarHBondContact O-CG1 3.45Å; H373-I376 PolarHBondContact O-N 3.02Å; H373-L389 HydrophobicContact CB-CD1 4.12Å
374	V	94.8	Very high	94.8	Very high	48 Å²	48	61.7 Å²	61.7	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-31	175.3	179.7	0	0	0	0	111.6	S370 V372 I376 N377 K412 V413	S370-V374 WeakPolarHBondContact O-CG2 3.35Å; S370-V374 PolarHBondContact O-N 3.41Å; V372-V374 VanDerWaalsContact C-N 3.3Å; V372-V374 PolarHBondContact O-N 3.5Å; V374-I376 VanDerWaalsContact C-N 3.33Å; V374-I376 PolarHBondContact O-N 3.3Å; V374-N377 PolarHBondContact O-ND2 2.96Å; V374-K412 HydrophobicContact CG1-CB 4.48Å; V374-V413 HydrophobicContact CG1-CG2 3.87Å; V374-V413 VanDerWaalsContact O-CG2 3.29Å; V374-V413 WeakPolarHBondContact O-CG2 3.31Å
375	Q	96.9	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-79.2	-5.3	-178.6	-58	-57.2	-33.1	0	0	115	L371 V372 H373 N377 D378 W381 A385 P410 Y425 T429	L371-Q375 WeakPolarHBondContact O-CG 3.36Å; V372-Q375 WeakPolarHBondContact O-CB 3.28Å; V372-Q375 PolarHBondContact O-N 3.12Å; H373-Q375 PolarHBondContact O-N 3.23Å; Q375-N377 PolarHBondContact O-N 2.69Å; Q375-D378 PolarHBondContact O-N 2.74Å; Q375-W381 PolarHBondContact O-NE1 3.42Å; Q375-A385 HydrophobicContact CB-CB 4.49Å; Q375-P410 HydrophobicContact CG-CG 4.44Å; Q375-Y425 VanDerWaalsContact CD-OH 3.27Å; Q375-Y425 PolarHBondContact NE2-OH 2.63Å; Q375-Y425 PolarHBondContact OE1-OH 3Å; Q375-T429 HydrophobicContact CG-CG2 4.18Å
376	I	96.4	Very high	95.7	Very high	51 Å²	51	51.5 Å²	51.5	26%	0.262	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60.9	-29.7	171.9	-55.5	170.6	0	0	0	110.9	H373 V374 D378 S382 A385 L389	H373-I376 WeakPolarHBondContact O-CG1 3.45Å; H373-I376 PolarHBondContact O-N 3.02Å; V374-I376 VanDerWaalsContact C-N 3.33Å; V374-I376 PolarHBondContact O-N 3.3Å; I376-D378 PolarHBondContact O-N 3.36Å; I376-S382 WeakPolarHBondContact O-CA 3.49Å; I376-S382 WeakPolarHBondContact O-CB 3.19Å; I376-A385 HydrophobicContact CG1-CB 4.19Å; I376-L389 HydrophobicContact CD1-CD1 3.6Å; I376-L389 HydrophobicContact CG1-CD1 4.14Å
377	N	93.9	Very high	96.1	Very high	120 Å²	120	54 Å²	54	64%	0.642	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-75	0.7	-174.7	-54.7	-79.1	0	0	0	114.4	V374 Q375 V413	V374-N377 PolarHBondContact O-ND2 2.96Å; Q375-N377 PolarHBondContact O-N 2.69Å; N377-V413 HydrophobicContact CB-CG2 3.92Å
378	D	94.4	Very high	96.3	Very high	10 Å²	10	50 Å²	50	5%	0.053	26%	0.261	C	S	.	.			trans	-106.4	113.2	175.6	-165.3	-49.9	0	0	0	110.2	Q375 I376 R380 W381 S382 V413	Q375-D378 PolarHBondContact O-N 2.74Å; I376-D378 PolarHBondContact O-N 3.36Å; D378-R380 PolarHBondContact O-N 3.48Å; D378-R380 VanDerWaalsContact OD1-CB 3.29Å; D378-R380 WeakPolarHBondContact OD1-CB 3.42Å; D378-R380 WeakPolarHBondContact OD1-CG 3.34Å; D378-R380 IonicContact OD1-CZ 3.6Å; D378-R380 PolarHBondContact OD1-N 2.71Å; D378-R380 VanDerWaalsContact OD1-N 3.15Å; D378-R380 IonicContact OD1-NE 3.22Å; D378-R380 PolarHBondContact OD1-NE 2.91Å; D378-R380 IonicContact OD1-NH2 3.15Å; D378-R380 IonicContact OD2-CZ 3.65Å; D378-R380 IonicContact OD2-NE 3.05Å; D378-R380 PolarHBondContact OD2-NE 3.1Å; D378-R380 IonicContact OD2-NH2 2.69Å; D378-R380 PolarHBondContact OD2-NH2 2.96Å; D378-W381 HydrophobicContact CB-CZ2 3.82Å; D378-W381 VanDerWaalsContact CG-CZ2 3.41Å; D378-W381 PolarHBondContact O-N 2.95Å; D378-W381 VanDerWaalsContact O-N 3.13Å; D378-W381 VanDerWaalsContact OD2-CZ2 3.25Å; D378-W381 WeakPolarHBondContact OD2-CZ2 3.42Å; D378-S382 PolarHBondContact O-N 3.45Å; D378-V413 HydrophobicContact CB-CG1 4.3Å
379	S	93.6	Very high	96.3	Very high	112 Å²	112	51 Å²	51	78%	0.783	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-9	-174.4	56.5	0	0	0	0	114.7	W381	S379-W381 VanDerWaalsContact C-N 3.3Å
380	R	94.5	Very high	96.3	Very high	88 Å²	88	52.1 Å²	52.1	33%	0.332	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.2	175.3	-65.1	176.7	-70.4	-169.6	-11.6	113.9	D378 E426	D378-R380 PolarHBondContact O-N 3.48Å; D378-R380 VanDerWaalsContact OD1-CB 3.29Å; D378-R380 WeakPolarHBondContact OD1-CB 3.42Å; D378-R380 WeakPolarHBondContact OD1-CG 3.34Å; D378-R380 IonicContact OD1-CZ 3.6Å; D378-R380 PolarHBondContact OD1-N 2.71Å; D378-R380 VanDerWaalsContact OD1-N 3.15Å; D378-R380 IonicContact OD1-NE 3.22Å; D378-R380 PolarHBondContact OD1-NE 2.91Å; D378-R380 IonicContact OD1-NH2 3.15Å; D378-R380 IonicContact OD2-CZ 3.65Å; D378-R380 IonicContact OD2-NE 3.05Å; D378-R380 PolarHBondContact OD2-NE 3.1Å; D378-R380 IonicContact OD2-NH2 2.69Å; D378-R380 PolarHBondContact OD2-NH2 2.96Å; R380-E426 IonicContact CZ-OE2 3.79Å; R380-E426 IonicContact NH1-OE2 2.77Å; R380-E426 PolarHBondContact NH1-OE2 2.86Å
381	W	97	Very high	96.3	Very high	10 Å²	10	57.2 Å²	57.2	4%	0.038	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-158.3	11.6	-179.1	51.5	67.4	0	0	0	114.8	Q375 D378 S379 D383 F384 A385 Y425 E426 T429 R430 L433 V493	Q375-W381 PolarHBondContact O-NE1 3.42Å; D378-W381 HydrophobicContact CB-CZ2 3.82Å; D378-W381 VanDerWaalsContact CG-CZ2 3.41Å; D378-W381 PolarHBondContact O-N 2.95Å; D378-W381 VanDerWaalsContact O-N 3.13Å; D378-W381 VanDerWaalsContact OD2-CZ2 3.25Å; D378-W381 WeakPolarHBondContact OD2-CZ2 3.42Å; S379-W381 VanDerWaalsContact C-N 3.3Å; W381-D383 VanDerWaalsContact C-N 3.3Å; W381-D383 PolarHBondContact O-N 3Å; W381-F384 WeakPolarHBondContact O-CB 3.36Å; W381-F384 PolarHBondContact O-N 2.53Å; W381-A385 PolarHBondContact O-N 2.9Å; W381-Y425 HydrophobicContact CH2-CE1 4.44Å; W381-Y425 HydrophobicContact CZ2-CE1 4.26Å; W381-E426 HydrophobicContact CH2-CB 4.43Å; W381-E426 HydrophobicContact CH2-CG 4.32Å; W381-E426 HydrophobicContact CZ3-CB 4.46Å; W381-E426 HydrophobicContact CZ3-CG 3.86Å; W381-T429 HydrophobicContact CD2-CG2 4.32Å; W381-T429 HydrophobicContact CH2-CG2 4Å; W381-T429 HydrophobicContact CZ2-CG2 3.33Å; W381-R430 HydrophobicContact CE3-CG 3.83Å; W381-R430 HydrophobicContact CZ3-CG 3.91Å; W381-L433 HydrophobicContact CB-CD1 3.98Å; W381-L433 HydrophobicContact CD2-CD1 4.16Å; W381-L433 HydrophobicContact CG-CD1 3.55Å; W381-V493 HydrophobicContact CB-CG2 3.82Å
382	S	96.8	Very high	96.3	Very high	24 Å²	24	57.8 Å²	57.8	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-40.4	-56.3	178.9	49.2	0	0	0	0	112.9	I376 D378 F384 A385 T386	I376-S382 WeakPolarHBondContact O-CA 3.49Å; I376-S382 WeakPolarHBondContact O-CB 3.19Å; D378-S382 PolarHBondContact O-N 3.45Å; S382-F384 VanDerWaalsContact C-N 3.26Å; S382-F384 PolarHBondContact O-N 2.88Å; S382-A385 WeakPolarHBondContact O-CB 3.32Å; S382-A385 PolarHBondContact O-N 3.44Å; S382-T386 PolarHBondContact O-N 3.44Å; S382-T386 PolarHBondContact O-OG1 3Å; S382-T386 VanDerWaalsContact O-OG1 3.14Å
383	D	97.1	Very high	96.2	Very high	107 Å²	107	59.1 Å²	59.1	57%	0.572	30%	0.302	S	S	*	.	H	α-helix	trans	-70.3	-28.8	-172	-49.1	-0.6	0	0	0	111.3	W381 R387	W381-D383 VanDerWaalsContact C-N 3.3Å; W381-D383 PolarHBondContact O-N 3Å; D383-R387 VanDerWaalsContact C-NH1 3.32Å; D383-R387 WeakPolarHBondContact O-CG 3.21Å; D383-R387 PolarHBondContact O-N 3.28Å; D383-R387 PolarHBondContact O-NH1 2.69Å
384	F	98	Very high	96.1	Very high	12 Å²	12	57.6 Å²	57.6	5%	0.053	30%	0.298	C	S	.	.	H	α-helix	trans	-76	-38.6	176.6	-168.2	-93.4	0	0	0	111.4	W381 S382 R387 I388 L433 S437 N489 E492 V493	W381-F384 WeakPolarHBondContact O-CB 3.36Å; W381-F384 PolarHBondContact O-N 2.53Å; S382-F384 VanDerWaalsContact C-N 3.26Å; S382-F384 PolarHBondContact O-N 2.88Å; F384-R387 PolarHBondContact O-N 3.16Å; F384-I388 HydrophobicContact CD1-CD1 3.76Å; F384-I388 HydrophobicContact CD1-CG1 4.46Å; F384-I388 HydrophobicContact CE1-CD1 3.58Å; F384-I388 HydrophobicContact CE1-CG1 4.29Å; F384-I388 WeakPolarHBondContact O-CG1 3.37Å; F384-I388 PolarHBondContact O-N 3.3Å; F384-I388 VanDerWaalsContact O-N 3.09Å; F384-L433 HydrophobicContact CD1-CB 4.21Å; F384-L433 HydrophobicContact CE1-CB 4.22Å; F384-S437 VanDerWaalsContact CZ-OG 3.28Å; F384-S437 WeakPolarHBondContact CZ-OG 3.39Å; F384-N489 VanDerWaalsContact CE2-O 3.31Å; F384-N489 WeakPolarHBondContact CE2-O 3.45Å; F384-E492 HydrophobicContact CD2-CB 3.86Å; F384-E492 HydrophobicContact CE2-CB 3.79Å; F384-E492 HydrophobicContact CE2-CG 4.49Å; F384-V493 HydrophobicContact CD1-CB 3.6Å; F384-V493 HydrophobicContact CD1-CG1 3.75Å; F384-V493 HydrophobicContact CD1-CG2 4.04Å; F384-V493 HydrophobicContact CD2-CB 4.32Å; F384-V493 HydrophobicContact CE1-CB 3.66Å; F384-V493 HydrophobicContact CE1-CG1 3.28Å; F384-V493 HydrophobicContact CE1-CG2 4.42Å; F384-V493 HydrophobicContact CE2-CB 4.4Å; F384-V493 HydrophobicContact CE2-CG1 4.44Å; F384-V493 HydrophobicContact CG-CB 3.94Å; F384-V493 HydrophobicContact CG-CG1 4.48Å; F384-V493 HydrophobicContact CG-CG2 4.5Å; F384-V493 HydrophobicContact CZ-CB 4.07Å; F384-V493 HydrophobicContact CZ-CG1 3.68Å
385	A	97.9	Very high	96.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-42.9	171.2	0	0	0	0	0	111.1	V372 Q375 I376 W381 S382 I388 L389 L433	V372-A385 HydrophobicContact CG1-CB 3.93Å; V372-A385 WeakPolarHBondContact CG1-O 3.25Å; Q375-A385 HydrophobicContact CB-CB 4.49Å; I376-A385 HydrophobicContact CG1-CB 4.19Å; W381-A385 PolarHBondContact O-N 2.9Å; S382-A385 WeakPolarHBondContact O-CB 3.32Å; S382-A385 PolarHBondContact O-N 3.44Å; A385-I388 PolarHBondContact O-N 3.46Å; A385-L389 PolarHBondContact O-N 3.35Å; A385-L389 VanDerWaalsContact O-N 3.14Å; A385-L433 HydrophobicContact CB-CD2 4.31Å
386	T	97.7	Very high	96.2	Very high	47 Å²	47	58.8 Å²	58.8	29%	0.288	30%	0.303	S	S	.	.	H	α-helix	trans	-57.8	-49.2	172.8	-57.1	0	0	0	0	111.7	S382 I388 L389 E390	S382-T386 PolarHBondContact O-N 3.44Å; S382-T386 PolarHBondContact O-OG1 3Å; S382-T386 VanDerWaalsContact O-OG1 3.14Å; T386-I388 PolarHBondContact O-N 3.03Å; T386-L389 PolarHBondContact O-N 3.5Å; T386-E390 HydrophobicContact CG2-CG 4.49Å; T386-E390 WeakPolarHBondContact O-CG 3.45Å; T386-E390 PolarHBondContact O-N 3.29Å
387	R	97.1	Very high	96.2	Very high	84 Å²	84	59.5 Å²	59.5	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-29.9	176.2	-74.5	-169.1	-62.1	-81.8	18.1	114	D383 F384 R391 E492	D383-R387 VanDerWaalsContact C-NH1 3.32Å; D383-R387 WeakPolarHBondContact O-CG 3.21Å; D383-R387 PolarHBondContact O-N 3.28Å; D383-R387 PolarHBondContact O-NH1 2.69Å; F384-R387 PolarHBondContact O-N 3.16Å; R387-R391 WeakPolarHBondContact O-CB 3.2Å; R387-R391 VanDerWaalsContact O-CG 3.28Å; R387-R391 WeakPolarHBondContact O-CG 3.49Å; R387-R391 PolarHBondContact O-N 2.6Å; R387-E492 IonicContact CZ-OE2 2.8Å; R387-E492 IonicContact NE-OE2 3.96Å; R387-E492 IonicContact NH2-OE2 2.66Å; R387-E492 PolarHBondContact NH2-OE2 3.41Å
388	I	97.5	Very high	96.2	Very high	7 Å²	7	55 Å²	55	4%	0.036	29%	0.289	C	S	.	.	H	α-helix	trans	-71.5	-36.1	173.2	-71	166.6	0	0	0	111.5	V372 F384 A385 T386 G392 P393 L433 L436	V372-I388 HydrophobicContact CG1-CB 4.11Å; V372-I388 HydrophobicContact CG1-CG2 3.99Å; V372-I388 HydrophobicContact CG2-CG2 4.07Å; F384-I388 HydrophobicContact CD1-CD1 3.76Å; F384-I388 HydrophobicContact CD1-CG1 4.46Å; F384-I388 HydrophobicContact CE1-CD1 3.58Å; F384-I388 HydrophobicContact CE1-CG1 4.29Å; F384-I388 WeakPolarHBondContact O-CG1 3.37Å; F384-I388 PolarHBondContact O-N 3.3Å; F384-I388 VanDerWaalsContact O-N 3.09Å; A385-I388 PolarHBondContact O-N 3.46Å; T386-I388 PolarHBondContact O-N 3.03Å; I388-G392 CarbonylContact O-C 3.49Å; I388-G392 VanDerWaalsContact O-CA 3.24Å; I388-G392 WeakPolarHBondContact O-CA 3.42Å; I388-G392 PolarHBondContact O-N 3.31Å; I388-P393 HydrophobicContact CG2-CB 4.26Å; I388-P393 HydrophobicContact CG2-CG 3.99Å; I388-L433 HydrophobicContact CD1-CB 4.11Å; I388-L433 HydrophobicContact CD1-CD2 4.03Å; I388-L433 WeakPolarHBondContact CD1-O 3.48Å; I388-L436 HydrophobicContact CD1-CB 4.42Å; I388-L436 HydrophobicContact CG2-CB 4.26Å
389	L	97.2	Very high	96.1	Very high	44 Å²	44	62.6 Å²	62.6	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-72.4	-40	178.6	-66.3	169	0	0	0	112.3	K369 V372 H373 I376 A385 T386 G392	K369-L389 HydrophobicContact CB-CD2 4.14Å; V372-L389 HydrophobicContact CB-CD2 3.97Å; V372-L389 HydrophobicContact CB-CG 4.36Å; V372-L389 HydrophobicContact CG1-CD1 4.26Å; V372-L389 HydrophobicContact CG1-CD2 3.94Å; V372-L389 HydrophobicContact CG1-CG 3.77Å; H373-L389 HydrophobicContact CB-CD1 4.12Å; I376-L389 HydrophobicContact CD1-CD1 3.6Å; I376-L389 HydrophobicContact CG1-CD1 4.14Å; A385-L389 PolarHBondContact O-N 3.35Å; A385-L389 VanDerWaalsContact O-N 3.14Å; T386-L389 PolarHBondContact O-N 3.5Å; L389-G392 PolarHBondContact O-N 2.93Å
390	E	96.4	Very high	95.9	Very high	144 Å²	144	59.1 Å²	59.1	67%	0.673	30%	0.297	S	S	*	.	H	α-helix	trans	-59	-45.3	174.2	-68.8	168.9	167.9	0	0	112	T386	T386-E390 HydrophobicContact CG2-CG 4.49Å; T386-E390 WeakPolarHBondContact O-CG 3.45Å; T386-E390 PolarHBondContact O-N 3.29Å
391	R	94.4	Very high	95.6	Very high	164 Å²	164	57.8 Å²	57.8	62%	0.619	30%	0.302	S	S	*	.	H	α-helix	trans	-83	-22.2	-179.6	-64.6	175.6	-177.2	-170.4	1.1	113.7	R387	R387-R391 WeakPolarHBondContact O-CB 3.2Å; R387-R391 VanDerWaalsContact O-CG 3.28Å; R387-R391 WeakPolarHBondContact O-CG 3.49Å; R387-R391 PolarHBondContact O-N 2.6Å
392	G	95	Very high	95	Very high	26 Å²	26	59.8 Å²	59.8	27%	0.268	31%	0.313	S	S	.	.			trans	86.8	135.5	-167.6	0	0	0	0	0	112.8	I388 L389 N394	I388-G392 CarbonylContact O-C 3.49Å; I388-G392 VanDerWaalsContact O-CA 3.24Å; I388-G392 WeakPolarHBondContact O-CA 3.42Å; I388-G392 PolarHBondContact O-N 3.31Å; L389-G392 PolarHBondContact O-N 2.93Å; G392-N394 PolarHBondContact O-N 3.24Å
393	P	96.2	Very high	94.1	Very high	28 Å²	28	68.1 Å²	68.1	18%	0.182	35%	0.346	C	S	.	.			trans	-57.1	128.6	174.2	-27.1	35	0	0	0	113.6	L368 K369 I388 P395 L436	L368-P393 HydrophobicContact CB-CB 4.09Å; L368-P393 HydrophobicContact CB-CG 4.25Å; K369-P393 HydrophobicContact CG-CG 3.98Å; I388-P393 HydrophobicContact CG2-CB 4.26Å; I388-P393 HydrophobicContact CG2-CG 3.99Å; P393-P395 VanDerWaalsContact O-CD 3.28Å; P393-P395 WeakPolarHBondContact O-CD 3.21Å; P393-L436 HydrophobicContact CB-CB 4.39Å; P393-L436 HydrophobicContact CB-CD1 4.23Å; P393-L436 HydrophobicContact CB-CD2 4.21Å
394	N	94.8	Very high	93.3	Very high	83 Å²	83	64.4 Å²	64.4	44%	0.444	33%	0.33	S	S	.	.			trans	-118.3	74.1	-179.4	-173.1	-14	0	0	0	110.4	R315 G392 K396 C435 L436	R315-N394 PolarHBondContact NH2-O 3.43Å; R315-N394 PolarHBondContact NH2-OD1 3.12Å; R315-N394 VanDerWaalsContact NH2-OD1 3.1Å; G392-N394 PolarHBondContact O-N 3.24Å; N394-K396 PolarHBondContact O-N 3.21Å; N394-C435 VanDerWaalsContact O-O 3.06Å; N394-L436 PolarHBondContact N-O 3.08Å
395	P	96.6	Very high	92.9	Very high	38 Å²	38	64.3 Å²	64.3	25%	0.247	33%	0.33	C	S	.	.			trans	-64.2	127.7	-173.2	24.7	-34.6	0	0	0	113.7	F362 L368 P393 N397 L436	F362-P395 HydrophobicContact CD2-CB 3.76Å; F362-P395 HydrophobicContact CE2-CB 4.36Å; L368-P395 HydrophobicContact CD1-CB 4.07Å; L368-P395 HydrophobicContact CD1-CG 3.78Å; P393-P395 VanDerWaalsContact O-CD 3.28Å; P393-P395 WeakPolarHBondContact O-CD 3.21Å; P395-N397 PolarHBondContact O-N 3.02Å; P395-N397 VanDerWaalsContact O-N 3.12Å; P395-L436 HydrophobicContact CB-CD2 3.66Å; P395-L436 HydrophobicContact CG-CD2 4.42Å
396	K	97.2	Very high	92.7	Very high	36 Å²	36	64.9 Å²	64.9	16%	0.157	33%	0.334	C	S	.	.			trans	-84.9	81.1	171.1	-161.8	162.7	-174.6	171.1	0	111.7	R315 T317 A318 N394 C435 D439	R315-K396 HydrophobicContact CG-CB 4.25Å; R315-K396 HydrophobicContact CG-CD 3.6Å; R315-K396 WeakPolarHBondContact O-CD 3.16Å; R315-K396 PolarHBondContact O-NZ 2.76Å; R315-K396 VanDerWaalsContact O-NZ 3.1Å; T317-K396 CarbonylContact C-O 3.54Å; T317-K396 WeakPolarHBondContact CA-O 3.37Å; T317-K396 HydrophobicContact CG2-CG 4.31Å; A318-K396 PolarHBondContact N-O 2.94Å; N394-K396 PolarHBondContact O-N 3.21Å; K396-C435 PolarHBondContact N-O 2.67Å; K396-C435 VanDerWaalsContact N-O 3.1Å; K396-C435 PolarHBondContact N-SG 2.89Å; K396-C435 VanDerWaalsContact N-SG 3.44Å; K396-D439 VanDerWaalsContact NZ-CG 3.25Å; K396-D439 IonicContact NZ-OD1 3.41Å; K396-D439 PolarHBondContact NZ-OD1 3.35Å; K396-D439 IonicContact NZ-OD2 2.85Å; K396-D439 PolarHBondContact NZ-OD2 3.02Å
397	N	96.7	Very high	92.7	Very high	66 Å²	66	62.6 Å²	62.6	35%	0.353	32%	0.32	S	S	.	.			trans	-65.5	142.8	175.2	-71.3	-26.8	0	0	0	111.9	K360 I361 F362 P395	K360-N397 CarbonylContact O-C 3.51Å; K360-N397 WeakPolarHBondContact O-CA 3.37Å; I361-N397 WeakPolarHBondContact CA-OD1 3.35Å; I361-N397 HydrophobicContact CB-CB 4.47Å; I361-N397 HydrophobicContact CG1-CB 4.31Å; I361-N397 HydrophobicContact CG2-CB 4.3Å; F362-N397 PolarHBondContact N-OD1 3Å; P395-N397 PolarHBondContact O-N 3.02Å; P395-N397 VanDerWaalsContact O-N 3.12Å
398	G	94.2	Very high	92.7	Very high	25 Å²	25	58.7 Å²	58.7	26%	0.258	31%	0.305	S	S	.	.			trans	-86.5	-137.4	171	0	0	0	0	0	112.1	K360	K360-G398 PolarHBondContact O-N 3.1Å
399	K	92.3	Very high	92.7	Very high	170 Å²	170	58.4 Å²	58.4	74%	0.739	30%	0.304	S	S	*	.	S	Bend	trans	-129.7	-8.8	-173.6	-62.3	-174.9	-179.4	-178.7	0	115.5
400	S	89.3	Confident	92.8	Very high	38 Å²	38	56.3 Å²	56.3	27%	0.266	29%	0.293	S	S	.	.			trans	-107.2	143	-175.1	51.2	0	0	0	0	111.3	E358 T359 K360	E358-S400 VanDerWaalsContact O-CB 3.23Å; E358-S400 WeakPolarHBondContact O-CB 3.36Å; E358-S400 PolarHBondContact O-OG 3.19Å; T359-S400 WeakPolarHBondContact CA-O 3.33Å; K360-S400 WeakPolarHBondContact CG-OG 3.34Å; K360-S400 PolarHBondContact N-O 2.83Å
401	S	88.8	Confident	92.7	Very high	61 Å²	61	50.4 Å²	50.4	43%	0.427	27%	0.266	S	S	.	.			trans	-148.5	135.4	161.2	-177.4	0	0	0	0	110.2	T359 K403	T359-S401 VanDerWaalsContact OG1-CA 3.27Å; T359-S401 WeakPolarHBondContact OG1-CA 3.3Å; T359-S401 PolarHBondContact OG1-OG 3.23Å; T359-S401 VanDerWaalsContact OG1-OG 3.09Å; S401-K403 VanDerWaalsContact C-N 3.26Å; S401-K403 PolarHBondContact OG-N 2.69Å; S401-K403 VanDerWaalsContact OG-N 3.14Å
402	D	83	Confident	92.6	Very high	52 Å²	52	46.6 Å²	46.6	28%	0.278	25%	0.253	S	S	.	.			trans	-78.6	-9.4	170.9	53.6	37.8	0	0	0	112.8	T357 E358 T359 A404 H405	T357-D402 WeakPolarHBondContact CA-OD2 3.4Å; T357-D402 WeakPolarHBondContact CB-OD2 3.24Å; T357-D402 PolarHBondContact OG1-OD2 3.34Å; E358-D402 PolarHBondContact N-OD2 3.24Å; E358-D402 VanDerWaalsContact N-OD2 3.11Å; T359-D402 PolarHBondContact OG1-N 2.79Å; T359-D402 PolarHBondContact OG1-OD1 3.35Å; T359-D402 PolarHBondContact OG1-OD2 2.97Å; D402-A404 PolarHBondContact O-N 3.41Å; D402-A404 VanDerWaalsContact O-N 3.17Å; D402-A404 PolarHBondContact OD1-N 2.86Å; D402-H405 PolarHBondContact OD1-N 3.08Å
403	K	79	Confident	92.6	Very high	198 Å²	198	46.5 Å²	46.5	86%	0.861	25%	0.248	S	C	*	.	S	Bend	trans	59.3	12.7	-173.5	-50.7	176.3	-176.7	173.5	0	114.5	S401	S401-K403 VanDerWaalsContact C-N 3.26Å; S401-K403 PolarHBondContact OG-N 2.69Å; S401-K403 VanDerWaalsContact OG-N 3.14Å
404	A	80.6	Confident	92.4	Very high	29 Å²	29	45.2 Å²	45.2	24%	0.24	24%	0.24	C	C	.	.	S	Bend	trans	-110.8	-34.2	-179.9	0	0	0	0	0	112.3	S171 D402	S171-A404 PolarHBondContact OG-O 2.83Å; D402-A404 PolarHBondContact O-N 3.41Å; D402-A404 VanDerWaalsContact O-N 3.17Å; D402-A404 PolarHBondContact OD1-N 2.86Å
405	H	89.1	Confident	92.1	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.046	25%	0.251	C	S	.	.			trans	-138.5	147.4	-174.5	-61.9	-73	0	0	0	111.9	C141 D142 F170 S171 Y354 T359 D402	C141-H405 WeakPolarHBondContact CA-NE2 3.43Å; C141-H405 WeakPolarHBondContact CB-CE1 3.29Å; C141-H405 PolarHBondContact O-NE2 3.32Å; D142-H405 PolarHBondContact N-NE2 3.31Å; F170-H405 PolarHBondContact O-CE1 3.07Å; S171-H405 WeakPolarHBondContact CA-ND1 3.2Å; S171-H405 VanDerWaalsContact CB-ND1 3.27Å; S171-H405 WeakPolarHBondContact CB-ND1 3.47Å; S171-H405 PolarHBondContact OG-ND1 2.83Å; Y354-H405 AromaticContact CD1-CD2 3.67Å; Y354-H405 AromaticContact CD1-CE1 3.4Å; Y354-H405 VanDerWaalsContact CD1-CE1 3.4Å; Y354-H405 WeakPolarHBondContact CD1-CE1 3.34Å; Y354-H405 AromaticContact CD1-CG 3.88Å; Y354-H405 AromaticContact CD1-ND1 3.65Å; Y354-H405 AromaticContact CD1-NE2 3.42Å; Y354-H405 WeakPolarHBondContact CD1-NE2 3.3Å; Y354-H405 AromaticContact CE1-CE1 3.92Å; Y354-H405 AromaticContact CE1-NE2 3.32Å; Y354-H405 VanDerWaalsContact CE1-NE2 3.32Å; Y354-H405 WeakPolarHBondContact CE1-NE2 3.22Å; Y354-H405 AromaticContact CG-CE1 3.54Å; Y354-H405 AromaticContact CG-ND1 3.92Å; T359-H405 WeakPolarHBondContact CB-O 3.47Å; T359-H405 WeakPolarHBondContact CG2-O 3.44Å; T359-H405 PolarHBondContact OG1-O 2.66Å; D402-H405 PolarHBondContact OD1-N 3.08Å
406	P	93.5	Very high	91.9	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.078	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-73.3	168.3	164.8	35.1	-34.3	0	0	0	110.2	P363 L366	P363-P406 HydrophobicContact CG-CB 4.21Å; L366-P406 HydrophobicContact CD2-CB 4.24Å
407	P	97.3	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-55.4	158.6	171.3	-20.5	32.1	0	0	0	112.4	A318 L319 S353 T359 I361 F362 H409	A318-P407 HydrophobicContact CB-CB 3.75Å; A318-P407 HydrophobicContact CB-CG 3.68Å; L319-P407 CarbonylContact O-C 3.54Å; L319-P407 WeakPolarHBondContact O-CA 3.41Å; L319-P407 WeakPolarHBondContact O-CB 3.17Å; S353-P407 PolarHBondContact OG-O 3.09Å; S353-P407 VanDerWaalsContact OG-O 3.05Å; T359-P407 HydrophobicContact CG2-CG 4.11Å; T359-P407 WeakPolarHBondContact O-CA 3.38Å; I361-P407 WeakPolarHBondContact O-CD 3.41Å; F362-P407 HydrophobicContact CD1-CB 4.21Å; F362-P407 HydrophobicContact CD1-CG 3.72Å; F362-P407 HydrophobicContact CD2-CG 4.31Å; F362-P407 HydrophobicContact CE1-CB 3.78Å; F362-P407 HydrophobicContact CE1-CG 3.82Å; F362-P407 HydrophobicContact CE2-CG 4.41Å; F362-P407 HydrophobicContact CG-CG 3.98Å; F362-P407 HydrophobicContact CZ-CB 3.99Å; F362-P407 HydrophobicContact CZ-CG 4.16Å; P407-H409 PolarHBondContact O-N 2.72Å; P407-H409 PolarHBondContact O-ND1 3.49Å
408	I	98.1	Very high	91.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-69.6	116.2	-178.9	-50.1	178.6	0	0	0	109.6	L319 L324 I352 S353 P355 T357 V428	L319-I408 HydrophobicContact CB-CB 4.37Å; L319-I408 HydrophobicContact CD2-CB 4.14Å; L319-I408 HydrophobicContact CD2-CG2 4.42Å; L319-I408 HydrophobicContact CG-CB 4.14Å; L319-I408 PolarHBondContact O-N 2.84Å; L324-I408 HydrophobicContact CB-CD1 4.2Å; L324-I408 HydrophobicContact CD2-CD1 3.65Å; L324-I408 HydrophobicContact CD2-CG2 4.49Å; I352-I408 HydrophobicContact CD1-CG2 4.24Å; S353-I408 WeakPolarHBondContact OG-CA 3.48Å; P355-I408 HydrophobicContact CB-CD1 4.38Å; P355-I408 WeakPolarHBondContact O-CD1 3.47Å; T357-I408 HydrophobicContact CG2-CD1 4.34Å; T357-I408 HydrophobicContact CG2-CG1 3.7Å; I408-V428 HydrophobicContact CG2-CG1 4.19Å; I408-V428 HydrophobicContact CG2-CG2 4.37Å
409	H	98	Very high	91.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.297	C	S	.	.			trans	-146.2	158	-174.9	67.6	-90.2	0	0	0	112.1	I352 S353 F362 P407 F432	I352-H409 CarbonylContact C-O 3.56Å; I352-H409 VanDerWaalsContact CA-O 3.23Å; I352-H409 WeakPolarHBondContact CA-O 3.4Å; I352-H409 WeakPolarHBondContact CB-O 3.5Å; S353-H409 PolarHBondContact N-O 2.93Å; S353-H409 PolarHBondContact OG-N 3.27Å; S353-H409 PolarHBondContact OG-ND1 3.14Å; F362-H409 HydrophobicContact CE1-CB 4.17Å; P407-H409 PolarHBondContact O-N 2.72Å; P407-H409 PolarHBondContact O-ND1 3.49Å; H409-F432 HydrophobicContact CB-CD2 3.52Å; H409-F432 HydrophobicContact CB-CE2 3.77Å; H409-F432 HydrophobicContact CB-CG 4.21Å
410	P	97.6	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-81.2	142.7	-179.8	35.7	-36.8	0	0	0	112.1	F351 Q375 Y425 T429 F432	F351-P410 CarbonylContact O-C 3.54Å; F351-P410 WeakPolarHBondContact O-CA 3.46Å; Q375-P410 HydrophobicContact CG-CG 4.44Å; P410-Y425 HydrophobicContact CB-CE2 3.78Å; P410-T429 WeakPolarHBondContact CB-OG1 3.42Å; P410-T429 HydrophobicContact CG-CG2 4.06Å; P410-F432 HydrophobicContact CG-CB 4.29Å; P410-F432 HydrophobicContact CG-CD1 3.85Å; P410-F432 HydrophobicContact CG-CE1 4.43Å; P410-F432 HydrophobicContact CG-CG 4.2Å
411	L	95.2	Very high	92.4	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.11	27%	0.267	C	S	.	.			trans	-107.1	-27.7	-176	-59.5	173.7	0	0	0	113.1	E172 T174 F351 I352 L371	E172-L411 HydrophobicContact CB-CD1 3.77Å; E172-L411 HydrophobicContact CB-CD2 4.44Å; E172-L411 WeakPolarHBondContact OE2-CD2 3.35Å; T174-L411 HydrophobicContact CG2-CD1 3.9Å; T174-L411 HydrophobicContact CG2-CD2 4.39Å; F351-L411 PolarHBondContact O-N 3.01Å; I352-L411 VanDerWaalsContact O-CD1 3.31Å; I352-L411 WeakPolarHBondContact O-CD1 3.34Å; L371-L411 HydrophobicContact CD2-CD2 4.12Å
412	K	92.3	Very high	92.8	Very high	83 Å²	83	46 Å²	46	36%	0.361	25%	0.254	S	S	.	.	S	Bend	trans	-152.5	161.1	176.8	69.9	-172.4	178.1	-166.8	0	110.8	K349 G350 F351 V374 Y425	K349-K412 PolarHBondContact O-NZ 2.99Å; G350-K412 WeakPolarHBondContact O-CD 3.42Å; G350-K412 WeakPolarHBondContact O-CE 3.44Å; F351-K412 HydrophobicContact CD1-CD 4.22Å; F351-K412 VanDerWaalsContact CD1-CE 3.41Å; F351-K412 HydrophobicContact CD1-CG 3.73Å; F351-K412 HydrophobicContact CE1-CD 4.33Å; F351-K412 VanDerWaalsContact CE1-CE 3.46Å; F351-K412 HydrophobicContact CE1-CG 4.16Å; F351-K412 HydrophobicContact CG-CG 4.36Å; V374-K412 HydrophobicContact CG1-CB 4.48Å; K412-Y425 WeakPolarHBondContact O-CE2 3.36Å; K412-Y425 PolarHBondContact O-OH 3.44Å
413	V	94.2	Very high	93.5	Very high	24 Å²	24	48.4 Å²	48.4	15%	0.145	26%	0.259	C	S	.	.			trans	-52.2	140	177.3	-165.3	0	0	0	0	111.2	F351 V374 N377 D378 D415	F351-V413 WeakPolarHBondContact CD1-O 3.31Å; F351-V413 VanDerWaalsContact CE1-O 3.22Å; F351-V413 WeakPolarHBondContact CE1-O 3.4Å; V374-V413 HydrophobicContact CG1-CG2 3.87Å; V374-V413 VanDerWaalsContact O-CG2 3.29Å; V374-V413 WeakPolarHBondContact O-CG2 3.31Å; N377-V413 HydrophobicContact CB-CG2 3.92Å; D378-V413 HydrophobicContact CB-CG1 4.3Å; V413-D415 HydrophobicContact CG1-CB 4.01Å
414	G	92.8	Very high	94.5	Very high	2 Å²	2	39 Å²	39	2%	0.021	22%	0.218	C	C	.	.			trans	-103	28.9	180	0	0	0	0	0	114.5	S416 L417	G414-S416 VanDerWaalsContact C-N 3.26Å; G414-S416 PolarHBondContact O-N 2.88Å; G414-L417 WeakPolarHBondContact O-CB 3.23Å; G414-L417 PolarHBondContact O-N 3.15Å
415	D	88.2	Confident	95.3	Very high	127 Å²	127	37.6 Å²	37.6	68%	0.679	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.4	-177.6	62.6	-19.4	0	0	0	114	V413	V413-D415 HydrophobicContact CG1-CB 4.01Å
416	S	91.9	Very high	95.8	Very high	85 Å²	85	38.8 Å²	38.8	59%	0.594	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.2	-177	40	0	0	0	0	113.4	G414	G414-S416 VanDerWaalsContact C-N 3.26Å; G414-S416 PolarHBondContact O-N 2.88Å
417	L	95.1	Very high	96	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.079	21%	0.208	C	C	.	.			trans	-84	150.3	176.4	-60.4	174.5	0	0	0	111.1	L346 F351 G414 E421 A422 Y425	L346-L417 HydrophobicContact CD2-CD1 3.55Å; L346-L417 HydrophobicContact CD2-CD2 3.79Å; L346-L417 HydrophobicContact CD2-CG 4.33Å; F351-L417 HydrophobicContact CD1-CD1 4.03Å; F351-L417 HydrophobicContact CD1-CD2 4.49Å; F351-L417 HydrophobicContact CD1-CG 4.31Å; F351-L417 HydrophobicContact CD2-CD2 3.99Å; F351-L417 HydrophobicContact CE1-CD1 4.25Å; F351-L417 HydrophobicContact CE1-CD2 4.17Å; F351-L417 HydrophobicContact CE1-CG 4.03Å; F351-L417 HydrophobicContact CE2-CD2 3.64Å; F351-L417 HydrophobicContact CE2-CG 4.39Å; F351-L417 HydrophobicContact CG-CD1 4.21Å; F351-L417 HydrophobicContact CG-CD2 4.4Å; F351-L417 HydrophobicContact CZ-CD2 3.74Å; F351-L417 HydrophobicContact CZ-CG 4.07Å; G414-L417 WeakPolarHBondContact O-CB 3.23Å; G414-L417 PolarHBondContact O-N 3.15Å; L417-E421 HydrophobicContact CD2-CB 4.41Å; L417-A422 HydrophobicContact CB-CB 3.91Å; L417-Y425 VanDerWaalsContact CD1-CB 3.49Å; L417-Y425 HydrophobicContact CD1-CD1 4.16Å; L417-Y425 HydrophobicContact CD1-CD2 3.91Å; L417-Y425 HydrophobicContact CD1-CG 3.56Å
418	Q	94.6	Very high	96.1	Very high	165 Å²	165	38.3 Å²	38.3	77%	0.771	21%	0.209	S	C	*	.			trans	-135.9	161.4	178.5	-63.3	-173.5	-0	0	0	111.7	D420 E421 A422	Q418-D420 PolarHBondContact O-N 3.4Å; Q418-E421 PolarHBondContact O-N 2.85Å; Q418-A422 PolarHBondContact O-N 3.44Å
419	G	96.7	Very high	96.1	Very high	52 Å²	52	38.2 Å²	38.2	54%	0.536	21%	0.208	S	C	.	.	H	α-helix	trans	54.9	-135.8	176.4	0	0	0	0	0	113.2	E421 A422 R423	G419-E421 VanDerWaalsContact C-N 3.32Å; G419-E421 PolarHBondContact O-N 3.3Å; G419-A422 WeakPolarHBondContact O-CB 3.36Å; G419-A422 PolarHBondContact O-N 3.47Å; G419-R423 WeakPolarHBondContact O-CG 3.22Å; G419-R423 PolarHBondContact O-N 2.93Å; G419-R423 VanDerWaalsContact O-N 3.07Å
420	D	97.3	Very high	96.1	Very high	49 Å²	49	39.2 Å²	39.2	26%	0.262	21%	0.212	S	C	.	.	H	α-helix	trans	-70.2	-23.6	-175.6	-70.6	-28.8	0	0	0	114.3	M334 Y338 L342 Q418 R423 L424	M334-D420 HydrophobicContact CE-CB 3.57Å; M334-D420 WeakPolarHBondContact CE-OD1 3.41Å; Y338-D420 HydrophobicContact CE1-CB 4.15Å; Y338-D420 PolarHBondContact OH-OD2 3.45Å; L342-D420 HydrophobicContact CD1-CB 3.79Å; L342-D420 HydrophobicContact CD2-CB 4.13Å; Q418-D420 PolarHBondContact O-N 3.4Å; D420-R423 PolarHBondContact O-N 3.19Å; D420-R423 WeakPolarHBondContact OD1-CD 3.42Å; D420-R423 IonicContact OD1-CZ 2.71Å; D420-R423 IonicContact OD1-NE 2.79Å; D420-R423 IonicContact OD1-NH1 3.42Å; D420-R423 PolarHBondContact OD1-NH1 3.02Å; D420-L424 WeakPolarHBondContact O-CB 3.31Å; D420-L424 PolarHBondContact O-N 3.49Å
421	E	97.4	Very high	96.2	Very high	23 Å²	23	39.4 Å²	39.4	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-42.8	170.5	-72.3	-171.3	-172.6	0	0	110.8	L342 R345 L346 K349 L417 Q418 G419 Y425	L342-E421 HydrophobicContact CD2-CB 4.36Å; L342-E421 HydrophobicContact CD2-CG 3.5Å; R345-E421 IonicContact CZ-OE1 2.73Å; R345-E421 IonicContact NE-OE1 3.61Å; R345-E421 IonicContact NH1-OE1 3.65Å; R345-E421 PolarHBondContact NH1-OE1 3.38Å; L346-E421 HydrophobicContact CD2-CB 4.2Å; K349-E421 IonicContact NZ-OE1 3.19Å; K349-E421 PolarHBondContact NZ-OE1 3.4Å; K349-E421 IonicContact NZ-OE2 2.87Å; K349-E421 PolarHBondContact NZ-OE2 3.29Å; L417-E421 HydrophobicContact CD2-CB 4.41Å; Q418-E421 PolarHBondContact O-N 2.85Å; G419-E421 VanDerWaalsContact C-N 3.32Å; G419-E421 PolarHBondContact O-N 3.3Å; E421-Y425 VanDerWaalsContact O-CB 3.31Å; E421-Y425 WeakPolarHBondContact O-CB 3.41Å; E421-Y425 PolarHBondContact O-N 2.95Å
422	A	97.6	Very high	96.3	Very high	18 Å²	18	38.6 Å²	38.6	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-41.8	175.6	0	0	0	0	0	112.3	L417 Q418 G419 L424 Y425 E426	L417-A422 HydrophobicContact CB-CB 3.91Å; Q418-A422 PolarHBondContact O-N 3.44Å; G419-A422 WeakPolarHBondContact O-CB 3.36Å; G419-A422 PolarHBondContact O-N 3.47Å; A422-L424 PolarHBondContact O-N 3.12Å; A422-Y425 PolarHBondContact O-N 3.36Å; A422-E426 VanDerWaalsContact O-CB 3.32Å; A422-E426 WeakPolarHBondContact O-CB 3.26Å; A422-E426 PolarHBondContact O-N 3.06Å
423	R	98	Very high	96.6	Very high	102 Å²	102	34.6 Å²	34.6	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-63.4	-38.9	178.8	-67.8	171.9	69.3	-137.1	-0.4	112.3	L332 M334 G419 D420 L427	L332-R423 PolarHBondContact O-NH2 3.45Å; M334-R423 HydrophobicContact CE-CB 4.04Å; G419-R423 WeakPolarHBondContact O-CG 3.22Å; G419-R423 PolarHBondContact O-N 2.93Å; G419-R423 VanDerWaalsContact O-N 3.07Å; D420-R423 PolarHBondContact O-N 3.19Å; D420-R423 WeakPolarHBondContact OD1-CD 3.42Å; D420-R423 IonicContact OD1-CZ 2.71Å; D420-R423 IonicContact OD1-NE 2.79Å; D420-R423 IonicContact OD1-NH1 3.42Å; D420-R423 PolarHBondContact OD1-NH1 3.02Å; R423-L427 PolarHBondContact O-N 2.83Å
424	L	98.5	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-75.4	-40	177.5	-165.9	69	0	0	0	112.1	L324 A328 L332 M334 A339 L342 A343 L346 D420 A422 E426 L427 V428	L324-L424 HydrophobicContact CD1-CD1 3.97Å; A328-L424 HydrophobicContact CB-CD1 4.1Å; L332-L424 HydrophobicContact CD1-CB 4.45Å; L332-L424 HydrophobicContact CD1-CD1 3.78Å; M334-L424 HydrophobicContact SD-CD1 4.3Å; A339-L424 VanDerWaalsContact O-CD2 3.24Å; A339-L424 WeakPolarHBondContact O-CD2 3.35Å; L342-L424 HydrophobicContact CB-CD2 3.48Å; L342-L424 VanDerWaalsContact CB-CD2 3.48Å; L342-L424 HydrophobicContact CD1-CD2 4.45Å; A343-L424 HydrophobicContact CB-CD2 4.07Å; L346-L424 HydrophobicContact CD1-CB 4.38Å; L346-L424 HydrophobicContact CD1-CD2 4.42Å; D420-L424 WeakPolarHBondContact O-CB 3.31Å; D420-L424 PolarHBondContact O-N 3.49Å; A422-L424 PolarHBondContact O-N 3.12Å; L424-E426 VanDerWaalsContact C-N 3.34Å; L424-E426 PolarHBondContact O-N 2.96Å; L424-L427 HydrophobicContact CD1-CD2 4.32Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.4Å; L424-V428 WeakPolarHBondContact O-CG2 3.38Å; L424-V428 PolarHBondContact O-N 2.94Å
425	Y	98.5	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-41.8	172.5	173.6	-87.9	0	0	0	112.2	F351 I352 Q375 W381 P410 K412 L417 E421 A422 V428 T429	F351-Y425 HydrophobicContact CB-CD2 4.12Å; F351-Y425 HydrophobicContact CB-CE2 4.3Å; I352-Y425 HydrophobicContact CG2-CD2 4.2Å; Q375-Y425 VanDerWaalsContact CD-OH 3.27Å; Q375-Y425 PolarHBondContact NE2-OH 2.63Å; Q375-Y425 PolarHBondContact OE1-OH 3Å; W381-Y425 HydrophobicContact CH2-CE1 4.44Å; W381-Y425 HydrophobicContact CZ2-CE1 4.26Å; P410-Y425 HydrophobicContact CB-CE2 3.78Å; K412-Y425 WeakPolarHBondContact O-CE2 3.36Å; K412-Y425 PolarHBondContact O-OH 3.44Å; L417-Y425 VanDerWaalsContact CD1-CB 3.49Å; L417-Y425 HydrophobicContact CD1-CD1 4.16Å; L417-Y425 HydrophobicContact CD1-CD2 3.91Å; L417-Y425 HydrophobicContact CD1-CG 3.56Å; E421-Y425 VanDerWaalsContact O-CB 3.31Å; E421-Y425 WeakPolarHBondContact O-CB 3.41Å; E421-Y425 PolarHBondContact O-N 2.95Å; A422-Y425 PolarHBondContact O-N 3.36Å; Y425-V428 PolarHBondContact O-N 3.25Å; Y425-T429 WeakPolarHBondContact CE1-OG1 3.24Å; Y425-T429 WeakPolarHBondContact O-CB 3.4Å; Y425-T429 PolarHBondContact O-N 3.23Å; Y425-T429 PolarHBondContact O-OG1 2.8Å; Y425-T429 PolarHBondContact OH-OG1 2.74Å
426	E	98.2	Very high	97.6	Very high	35 Å²	35	27.4 Å²	27.4	16%	0.164	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-40.3	175.6	172.6	156.4	-161.7	0	0	111.8	R380 W381 A422 L424 T429 R430	R380-E426 IonicContact CZ-OE2 3.79Å; R380-E426 IonicContact NH1-OE2 2.77Å; R380-E426 PolarHBondContact NH1-OE2 2.86Å; W381-E426 HydrophobicContact CH2-CB 4.43Å; W381-E426 HydrophobicContact CH2-CG 4.32Å; W381-E426 HydrophobicContact CZ3-CB 4.46Å; W381-E426 HydrophobicContact CZ3-CG 3.86Å; A422-E426 VanDerWaalsContact O-CB 3.32Å; A422-E426 WeakPolarHBondContact O-CB 3.26Å; A422-E426 PolarHBondContact O-N 3.06Å; L424-E426 VanDerWaalsContact C-N 3.34Å; L424-E426 PolarHBondContact O-N 2.96Å; E426-T429 PolarHBondContact O-N 3.47Å; E426-R430 HydrophobicContact CG-CG 4.23Å; E426-R430 WeakPolarHBondContact O-CB 3.43Å; E426-R430 WeakPolarHBondContact O-CG 3.47Å; E426-R430 PolarHBondContact O-N 3.14Å; E426-R430 IonicContact OE1-CZ 2.65Å; E426-R430 IonicContact OE1-NE 2.98Å; E426-R430 PolarHBondContact OE1-NE 2.66Å; E426-R430 IonicContact OE1-NH2 2.69Å; E426-R430 PolarHBondContact OE1-NH2 2.76Å
427	L	98.5	Very high	97.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-51.4	173.2	174.2	63.7	0	0	0	111.4	L324 L327 L332 R423 L424 T429 H431 Y496	L324-L427 HydrophobicContact CD1-CD2 4.4Å; L327-L427 HydrophobicContact CB-CD1 4.34Å; L327-L427 HydrophobicContact CB-CD2 3.9Å; L327-L427 HydrophobicContact CD1-CD1 4.49Å; L332-L427 HydrophobicContact CD1-CB 4.05Å; L332-L427 HydrophobicContact CD1-CD2 3.71Å; L332-L427 HydrophobicContact CG-CD2 4.09Å; R423-L427 PolarHBondContact O-N 2.83Å; L424-L427 HydrophobicContact CD1-CD2 4.32Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.4Å; L427-T429 VanDerWaalsContact C-N 3.34Å; L427-T429 PolarHBondContact O-N 3.26Å; L427-H431 WeakPolarHBondContact O-CB 3.43Å; L427-H431 PolarHBondContact O-N 2.81Å; L427-Y496 WeakPolarHBondContact CA-OH 3.45Å; L427-Y496 HydrophobicContact CB-CE2 4.32Å; L427-Y496 HydrophobicContact CD1-CD1 4.37Å; L427-Y496 HydrophobicContact CD1-CD2 3.68Å; L427-Y496 HydrophobicContact CD1-CE1 4.23Å; L427-Y496 HydrophobicContact CD1-CE2 3.51Å; L427-Y496 HydrophobicContact CD1-CG 4.1Å; L427-Y496 PolarHBondContact N-OH 2.99Å
428	V	98.6	Very high	98	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-44	178.7	172.3	0	0	0	0	111.1	L319 L324 I352 I408 L424 Y425 H431 F432	L319-V428 HydrophobicContact CD2-CB 4.49Å; L319-V428 HydrophobicContact CD2-CG1 4.44Å; L319-V428 HydrophobicContact CD2-CG2 4.06Å; L324-V428 HydrophobicContact CD1-CG2 4.04Å; I352-V428 HydrophobicContact CG2-CG1 4.05Å; I408-V428 HydrophobicContact CG2-CG1 4.19Å; I408-V428 HydrophobicContact CG2-CG2 4.37Å; L424-V428 WeakPolarHBondContact O-CG2 3.38Å; L424-V428 PolarHBondContact O-N 2.94Å; Y425-V428 PolarHBondContact O-N 3.25Å; V428-H431 PolarHBondContact O-N 2.68Å; V428-F432 WeakPolarHBondContact O-CB 3.15Å; V428-F432 PolarHBondContact O-N 3.23Å
429	T	98.6	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-70.8	-46.3	-175.9	-56.1	0	0	0	0	112.6	Q375 W381 P410 Y425 E426 L427 H431 F432 L433	Q375-T429 HydrophobicContact CG-CG2 4.18Å; W381-T429 HydrophobicContact CD2-CG2 4.32Å; W381-T429 HydrophobicContact CH2-CG2 4Å; W381-T429 HydrophobicContact CZ2-CG2 3.33Å; P410-T429 WeakPolarHBondContact CB-OG1 3.42Å; P410-T429 HydrophobicContact CG-CG2 4.06Å; Y425-T429 WeakPolarHBondContact CE1-OG1 3.24Å; Y425-T429 WeakPolarHBondContact O-CB 3.4Å; Y425-T429 PolarHBondContact O-N 3.23Å; Y425-T429 PolarHBondContact O-OG1 2.8Å; Y425-T429 PolarHBondContact OH-OG1 2.74Å; E426-T429 PolarHBondContact O-N 3.47Å; L427-T429 VanDerWaalsContact C-N 3.34Å; L427-T429 PolarHBondContact O-N 3.26Å; T429-H431 VanDerWaalsContact C-N 3.27Å; T429-H431 PolarHBondContact O-N 2.83Å; T429-F432 PolarHBondContact O-N 3.04Å; T429-L433 HydrophobicContact CG2-CD1 4.23Å; T429-L433 WeakPolarHBondContact O-CG 3.35Å; T429-L433 PolarHBondContact O-N 2.6Å
430	R	98.5	Very high	98.2	Very high	20 Å²	20	16.3 Å²	16.3	8%	0.075	8%	0.081	C	C	.	.	H	α-helix	trans	-62.2	-37.3	173.9	-69.6	-178.4	176.4	-71.1	-5.7	111.4	W381 E426 A434 V493 Y494 Y496	W381-R430 HydrophobicContact CE3-CG 3.83Å; W381-R430 HydrophobicContact CZ3-CG 3.91Å; E426-R430 HydrophobicContact CG-CG 4.23Å; E426-R430 WeakPolarHBondContact O-CB 3.43Å; E426-R430 WeakPolarHBondContact O-CG 3.47Å; E426-R430 PolarHBondContact O-N 3.14Å; E426-R430 IonicContact OE1-CZ 2.65Å; E426-R430 IonicContact OE1-NE 2.98Å; E426-R430 PolarHBondContact OE1-NE 2.66Å; E426-R430 IonicContact OE1-NH2 2.69Å; E426-R430 PolarHBondContact OE1-NH2 2.76Å; R430-A434 WeakPolarHBondContact O-CB 3.39Å; R430-A434 PolarHBondContact O-N 3.17Å; R430-V493 HydrophobicContact CB-CG2 4.34Å; R430-V493 VanDerWaalsContact CD-O 3.27Å; R430-V493 WeakPolarHBondContact CD-O 3.45Å; R430-V493 HydrophobicContact CG-CG2 4.11Å; R430-V493 PolarHBondContact NH1-O 2.99Å; R430-Y494 HydrophobicContact CB-CD2 4.15Å; R430-Y496 HydrophobicContact CB-CE2 4.11Å
431	H	98.7	Very high	98.2	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.023	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-42.5	177	-165.3	111.5	0	0	0	112.2	T317 L327 L427 V428 T429 A434 C435 Y494	T317-H431 PolarHBondContact O-NE2 2.8Å; L327-H431 WeakPolarHBondContact CD1-ND1 3.4Å; L427-H431 WeakPolarHBondContact O-CB 3.43Å; L427-H431 PolarHBondContact O-N 2.81Å; V428-H431 PolarHBondContact O-N 2.68Å; T429-H431 VanDerWaalsContact C-N 3.27Å; T429-H431 PolarHBondContact O-N 2.83Å; H431-A434 PolarHBondContact O-N 2.83Å; H431-C435 WeakPolarHBondContact O-CB 3.31Å; H431-C435 PolarHBondContact O-N 3.14Å; H431-Y494 HydrophobicContact CB-CD2 4.5Å; H431-Y494 HydrophobicContact CB-CE2 3.73Å; H431-Y494 AromaticContact ND1-CE2 3.76Å; H431-Y494 AromaticContact ND1-CZ 3.57Å; H431-Y494 PolarHBondContact ND1-OH 3.09Å
432	F	98.6	Very high	98.2	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	9%	0.085	C	C	.	.	H	α-helix	trans	-59.2	-56.1	174.4	174.3	-109.8	0	0	0	111.5	F362 L368 L371 V372 H409 P410 V428 T429 A434 C435 L436	F362-F432 HydrophobicContact CE1-CD2 4.2Å; F362-F432 HydrophobicContact CE1-CE2 4.01Å; F362-F432 AromaticContact CZ-CD2 3.81Å; F362-F432 HydrophobicContact CZ-CD2 3.81Å; F362-F432 AromaticContact CZ-CE2 3.94Å; F362-F432 HydrophobicContact CZ-CE2 3.94Å; L368-F432 HydrophobicContact CD2-CE2 3.93Å; L368-F432 HydrophobicContact CD2-CZ 4.16Å; L371-F432 HydrophobicContact CB-CE1 4.07Å; L371-F432 HydrophobicContact CB-CZ 3.71Å; L371-F432 HydrophobicContact CD1-CZ 4.15Å; V372-F432 HydrophobicContact CG2-CE1 3.9Å; V372-F432 HydrophobicContact CG2-CZ 4.36Å; H409-F432 HydrophobicContact CB-CD2 3.52Å; H409-F432 HydrophobicContact CB-CE2 3.77Å; H409-F432 HydrophobicContact CB-CG 4.21Å; P410-F432 HydrophobicContact CG-CB 4.29Å; P410-F432 HydrophobicContact CG-CD1 3.85Å; P410-F432 HydrophobicContact CG-CE1 4.43Å; P410-F432 HydrophobicContact CG-CG 4.2Å; V428-F432 WeakPolarHBondContact O-CB 3.15Å; V428-F432 PolarHBondContact O-N 3.23Å; T429-F432 PolarHBondContact O-N 3.04Å; F432-A434 VanDerWaalsContact C-N 3.28Å; F432-A434 PolarHBondContact O-N 3.09Å; F432-C435 WeakPolarHBondContact O-CB 3.44Å; F432-C435 PolarHBondContact O-N 2.77Å; F432-C435 VanDerWaalsContact O-N 3.09Å; F432-L436 HydrophobicContact CD1-CD1 4.22Å; F432-L436 HydrophobicContact CD2-CD1 4.3Å; F432-L436 HydrophobicContact CE1-CD1 3.7Å; F432-L436 HydrophobicContact CE2-CD1 3.8Å; F432-L436 HydrophobicContact CE2-CG 4.38Å; F432-L436 HydrophobicContact CZ-CD1 3.48Å; F432-L436 VanDerWaalsContact CZ-CD1 3.48Å; F432-L436 WeakPolarHBondContact O-CG 3.34Å; F432-L436 PolarHBondContact O-N 2.76Å; F432-L436 VanDerWaalsContact O-N 3.14Å
433	L	98.6	Very high	98.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-38.8	179	-64.6	174	0	0	0	111.9	V372 W381 F384 A385 I388 T429 L436 S437 V493	V372-L433 HydrophobicContact CG1-CD2 4.16Å; V372-L433 HydrophobicContact CG2-CD2 4.15Å; W381-L433 HydrophobicContact CB-CD1 3.98Å; W381-L433 HydrophobicContact CD2-CD1 4.16Å; W381-L433 HydrophobicContact CG-CD1 3.55Å; F384-L433 HydrophobicContact CD1-CB 4.21Å; F384-L433 HydrophobicContact CE1-CB 4.22Å; A385-L433 HydrophobicContact CB-CD2 4.31Å; I388-L433 HydrophobicContact CD1-CB 4.11Å; I388-L433 HydrophobicContact CD1-CD2 4.03Å; I388-L433 WeakPolarHBondContact CD1-O 3.48Å; T429-L433 HydrophobicContact CG2-CD1 4.23Å; T429-L433 WeakPolarHBondContact O-CG 3.35Å; T429-L433 PolarHBondContact O-N 2.6Å; L433-L436 PolarHBondContact O-N 3.39Å; L433-S437 PolarHBondContact O-N 2.93Å; L433-V493 HydrophobicContact CB-CG1 4.27Å; L433-V493 HydrophobicContact CB-CG2 4.26Å; L433-V493 HydrophobicContact CD1-CG2 4.21Å
434	A	98.6	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-40.7	174.9	0	0	0	0	0	113.2	R315 P316 R430 H431 F432 L436 S437 Y490 V493 Y494	R315-A434 WeakPolarHBondContact CB-O 3.47Å; R315-A434 WeakPolarHBondContact CD-O 3.45Å; R315-A434 WeakPolarHBondContact CG-O 3.22Å; P316-A434 HydrophobicContact CG-CB 3.74Å; R430-A434 WeakPolarHBondContact O-CB 3.39Å; R430-A434 PolarHBondContact O-N 3.17Å; H431-A434 PolarHBondContact O-N 2.83Å; F432-A434 VanDerWaalsContact C-N 3.28Å; F432-A434 PolarHBondContact O-N 3.09Å; A434-L436 VanDerWaalsContact C-N 3.3Å; A434-L436 PolarHBondContact O-N 3.18Å; A434-S437 PolarHBondContact O-N 2.87Å; A434-Y490 HydrophobicContact CB-CD2 4.14Å; A434-V493 HydrophobicContact CB-CG1 3.96Å; A434-Y494 HydrophobicContact CB-CD2 3.9Å; A434-Y494 HydrophobicContact CB-CG 3.84Å
435	C	98.5	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.1	-34.3	177.8	-174.5	0	0	0	0	112.5	R315 P316 T317 A318 N394 K396 H431 F432	R315-C435 PolarHBondContact NE-O 2.97Å; P316-C435 PolarHBondContact O-SG 2.9Å; T317-C435 VanDerWaalsContact C-SG 3.58Å; A318-C435 PolarHBondContact N-SG 3.47Å; N394-C435 VanDerWaalsContact O-O 3.06Å; K396-C435 PolarHBondContact N-O 2.67Å; K396-C435 VanDerWaalsContact N-O 3.1Å; K396-C435 PolarHBondContact N-SG 2.89Å; K396-C435 VanDerWaalsContact N-SG 3.44Å; H431-C435 WeakPolarHBondContact O-CB 3.31Å; H431-C435 PolarHBondContact O-N 3.14Å; F432-C435 WeakPolarHBondContact O-CB 3.44Å; F432-C435 PolarHBondContact O-N 2.77Å; F432-C435 VanDerWaalsContact O-N 3.09Å
436	L	98.4	Very high	97.9	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.2	178.7	-61.5	-175.6	0	0	0	114.7	F362 L368 V372 I388 P393 N394 P395 F432 L433 A434	F362-L436 HydrophobicContact CE2-CD2 4.49Å; L368-L436 HydrophobicContact CD1-CD2 3.9Å; L368-L436 HydrophobicContact CD2-CD2 4.33Å; V372-L436 HydrophobicContact CG2-CD1 3.35Å; I388-L436 HydrophobicContact CD1-CB 4.42Å; I388-L436 HydrophobicContact CG2-CB 4.26Å; P393-L436 HydrophobicContact CB-CB 4.39Å; P393-L436 HydrophobicContact CB-CD1 4.23Å; P393-L436 HydrophobicContact CB-CD2 4.21Å; N394-L436 PolarHBondContact N-O 3.08Å; P395-L436 HydrophobicContact CB-CD2 3.66Å; P395-L436 HydrophobicContact CG-CD2 4.42Å; F432-L436 HydrophobicContact CD1-CD1 4.22Å; F432-L436 HydrophobicContact CD2-CD1 4.3Å; F432-L436 HydrophobicContact CE1-CD1 3.7Å; F432-L436 HydrophobicContact CE2-CD1 3.8Å; F432-L436 HydrophobicContact CE2-CG 4.38Å; F432-L436 HydrophobicContact CZ-CD1 3.48Å; F432-L436 VanDerWaalsContact CZ-CD1 3.48Å; F432-L436 WeakPolarHBondContact O-CG 3.34Å; F432-L436 PolarHBondContact O-N 2.76Å; F432-L436 VanDerWaalsContact O-N 3.14Å; L433-L436 PolarHBondContact O-N 3.39Å; A434-L436 VanDerWaalsContact C-N 3.3Å; A434-L436 PolarHBondContact O-N 3.18Å
437	S	97.7	Very high	97.9	Very high	10 Å²	10	14.2 Å²	14.2	7%	0.07	8%	0.079	C	C	.	.	S	Bend	trans	-85.4	-162.6	-178.9	-163.5	0	0	0	0	112.4	R315 F384 L433 A434	R315-S437 WeakPolarHBondContact CD-O 3.41Å; R315-S437 PolarHBondContact NE-O 2.58Å; R315-S437 PolarHBondContact NH2-O 3.33Å; F384-S437 VanDerWaalsContact CZ-OG 3.28Å; F384-S437 WeakPolarHBondContact CZ-OG 3.39Å; L433-S437 PolarHBondContact O-N 2.93Å; A434-S437 PolarHBondContact O-N 2.87Å
438	T	97.3	Very high	97.8	Very high	43 Å²	43	17.2 Å²	17.2	26%	0.264	9%	0.09	S	C	.	.	P	Polyproline II helix	trans	-97.2	159.3	168.2	43.9	0	0	0	0	111.5	N489 Y490	T438-N489 WeakPolarHBondContact O-CB 3.21Å; T438-N489 WeakPolarHBondContact OG1-CB 3.49Å; T438-N489 PolarHBondContact OG1-ND2 3.04Å; T438-N489 VanDerWaalsContact OG1-ND2 3.09Å; T438-N489 PolarHBondContact OG1-OD1 3.37Å; T438-Y490 PolarHBondContact O-N 3.11Å
439	D	98	Very high	97.7	Very high	30 Å²	30	17.2 Å²	17.2	16%	0.16	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-65.8	152.7	171.2	-74.6	-1	0	0	0	109.7	R315 K396 N489	R315-D439 WeakPolarHBondContact CB-OD1 3.43Å; R315-D439 WeakPolarHBondContact CD-OD1 3.34Å; R315-D439 WeakPolarHBondContact CG-OD1 3.25Å; R315-D439 IonicContact CZ-OD1 3.74Å; R315-D439 PolarHBondContact N-OD1 2.92Å; R315-D439 IonicContact NE-OD1 2.79Å; R315-D439 IonicContact NH1-OD1 2.76Å; R315-D439 PolarHBondContact NH1-OD1 2.98Å; K396-D439 VanDerWaalsContact NZ-CG 3.25Å; K396-D439 IonicContact NZ-OD1 3.41Å; K396-D439 PolarHBondContact NZ-OD1 3.35Å; K396-D439 IonicContact NZ-OD2 2.85Å; K396-D439 PolarHBondContact NZ-OD2 3.02Å; D439-N489 PolarHBondContact O-ND2 2.94Å
440	A	98.2	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	145	177.1	0	0	0	0	0	110.3	T312 K313 A487 L488 Y490 L491 W499	T312-A440 CarbonylContact C-O 3.55Å; T312-A440 WeakPolarHBondContact CA-O 3.05Å; K313-A440 HydrophobicContact CB-CB 4.28Å; K313-A440 PolarHBondContact N-O 3.49Å; K313-A440 PolarHBondContact O-N 2.9Å; A440-A487 WeakPolarHBondContact CA-O 3.34Å; A440-L488 VanDerWaalsContact CB-O 3.25Å; A440-L488 WeakPolarHBondContact CB-O 3.44Å; A440-Y490 HydrophobicContact CB-CD1 3.97Å; A440-Y490 HydrophobicContact CB-CE1 3.73Å; A440-L491 HydrophobicContact CB-CD1 3.65Å; A440-L491 HydrophobicContact CB-CG 4.07Å; A440-W499 HydrophobicContact CB-CE3 3.77Å; A440-W499 HydrophobicContact CB-CZ3 3.6Å
441	E	98.3	Very high	97.5	Very high	92 Å²	92	16.2 Å²	16.2	43%	0.43	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.6	-169.5	-65.2	173.5	-138.5	0	0	111.4	T312 L486 A487 N489 W499	T312-E441 HydrophobicContact CG2-CG 4.44Å; E441-L486 PolarHBondContact O-N 3.01Å; E441-A487 HydrophobicContact CB-CB 4.27Å; E441-A487 PolarHBondContact N-O 2.79Å; E441-A487 PolarHBondContact O-N 3.38Å; E441-N489 PolarHBondContact OE1-ND2 3.19Å; E441-W499 WeakPolarHBondContact O-CZ3 3.37Å
442	G	96.9	Very high	97.1	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	176.5	-174.3	0	0	0	0	0	112.6	K311 M484	K311-G442 PolarHBondContact N-O 2.98Å; K311-G442 CarbonylContact O-C 3.56Å; K311-G442 WeakPolarHBondContact O-CA 3.33Å; K311-G442 PolarHBondContact O-N 2.9Å; G442-M484 CarbonylContact C-O 3.53Å; G442-M484 WeakPolarHBondContact CA-O 3.3Å
443	A	96.4	Very high	96.6	Very high	27 Å²	27	19 Å²	19	22%	0.223	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.9	176.7	0	0	0	0	0	110.1	L483 M484 L486	A443-L483 WeakPolarHBondContact O-CA 3.5Å; A443-M484 HydrophobicContact CB-CE 4.34Å; A443-M484 PolarHBondContact N-O 3.4Å; A443-M484 PolarHBondContact O-N 2.9Å; A443-L486 HydrophobicContact CB-CD1 4.42Å
444	E	96.6	Very high	95.9	Very high	18 Å²	18	22.7 Å²	22.7	8%	0.084	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.5	173	-174	-178.4	-95.9	0	0	108.8	R309 K311 I446 G482	R309-E444 HydrophobicContact CG-CB 4.28Å; R309-E444 IonicContact CZ-OE2 3.15Å; R309-E444 PolarHBondContact N-O 3.46Å; R309-E444 IonicContact NE-OE2 3.53Å; R309-E444 PolarHBondContact NE-OE2 2.98Å; R309-E444 IonicContact NH2-OE2 3.5Å; R309-E444 PolarHBondContact NH2-OE2 3.12Å; R309-E444 PolarHBondContact O-N 3.19Å; K311-E444 HydrophobicContact CB-CB 3.92Å; K311-E444 HydrophobicContact CD-CB 4.19Å; K311-E444 WeakPolarHBondContact CE-OE1 3.35Å; K311-E444 HydrophobicContact CG-CB 4.22Å; K311-E444 IonicContact NZ-OE1 2.94Å; K311-E444 PolarHBondContact NZ-OE1 3.13Å; K311-E444 IonicContact NZ-OE2 3Å; E444-I446 HydrophobicContact CG-CG1 4.35Å; E444-G482 WeakPolarHBondContact CA-O 3.39Å
445	T	96.1	Very high	95.2	Very high	32 Å²	32	27.1 Å²	27.1	20%	0.196	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126	173.1	-57.3	0	0	0	0	108.7	V306 I307 K308 V447 K481 G482 M504	V306-T445 HydrophobicContact CG1-CG2 4.31Å; I307-T445 CarbonylContact O-C 3.55Å; I307-T445 VanDerWaalsContact O-CA 3.3Å; I307-T445 WeakPolarHBondContact O-CA 3.43Å; K308-T445 HydrophobicContact CG-CG2 4Å; T445-V447 HydrophobicContact CG2-CG2 4.2Å; T445-K481 CarbonylContact O-C 3.5Å; T445-K481 VanDerWaalsContact O-CA 3.27Å; T445-K481 WeakPolarHBondContact O-CA 3.5Å; T445-G482 PolarHBondContact N-O 3.46Å; T445-G482 PolarHBondContact O-N 3.32Å; T445-M504 HydrophobicContact CG2-CE 3.66Å
446	I	96.9	Very high	94.4	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.046	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.4	177	-49.2	177.7	0	0	0	107.4	V306 I307 E444 E479 S480 K481	V306-I446 CarbonylContact C-O 3.52Å; V306-I446 WeakPolarHBondContact CA-O 3.27Å; I307-I446 HydrophobicContact CB-CB 4.24Å; I307-I446 PolarHBondContact N-O 3.14Å; I307-I446 PolarHBondContact O-N 2.89Å; E444-I446 HydrophobicContact CG-CG1 4.35Å; I446-E479 HydrophobicContact CG2-CG 3.61Å; I446-S480 WeakPolarHBondContact CA-O 3.49Å; I446-K481 HydrophobicContact CB-CG 4.49Å; I446-K481 HydrophobicContact CD1-CD 4.35Å; I446-K481 HydrophobicContact CG1-CD 4.09Å; I446-K481 HydrophobicContact CG1-CG 4.1Å; I446-K481 HydrophobicContact CG2-CG 4.22Å
447	V	97.2	Very high	93.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131	179	-179.6	0	0	0	0	108.6	F275 I303 E305 V306 T445 E479 S480 M504 F507	F275-V447 HydrophobicContact CE1-CB 4.12Å; F275-V447 HydrophobicContact CE1-CG1 3.86Å; F275-V447 HydrophobicContact CZ-CB 4.5Å; F275-V447 HydrophobicContact CZ-CG1 4.08Å; I303-V447 HydrophobicContact CD1-CG1 3.83Å; I303-V447 HydrophobicContact CG2-CG1 3.93Å; E305-V447 WeakPolarHBondContact O-CA 3.43Å; V306-V447 HydrophobicContact CG1-CG2 4.34Å; V306-V447 HydrophobicContact CG2-CG1 4.47Å; V306-V447 HydrophobicContact CG2-CG2 4.49Å; T445-V447 HydrophobicContact CG2-CG2 4.2Å; V447-E479 WeakPolarHBondContact O-CA 3.27Å; V447-S480 PolarHBondContact N-O 2.63Å; V447-S480 PolarHBondContact O-N 2.87Å; V447-M504 HydrophobicContact CG2-CE 3.56Å; V447-M504 HydrophobicContact CG2-SD 4.18Å; V447-F507 HydrophobicContact CB-CD2 4.48Å; V447-F507 HydrophobicContact CG1-CB 3.89Å; V447-F507 HydrophobicContact CG1-CD2 4.09Å; V447-F507 HydrophobicContact CG1-CG 4.01Å; V447-F507 HydrophobicContact CG2-CB 4.29Å; V447-F507 HydrophobicContact CG2-CD2 4.09Å
448	R	97.3	Very high	92	Very high	65 Å²	65	44.9 Å²	44.9	25%	0.245	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.7	173.9	-62.4	-169.5	175.9	140.2	-5.2	111.4	I303 V304 E305 F478 E479	I303-R448 CarbonylContact C-O 3.56Å; I303-R448 WeakPolarHBondContact CA-O 3.41Å; V304-R448 HydrophobicContact CG2-CB 3.87Å; V304-R448 PolarHBondContact N-O 3.4Å; E305-R448 HydrophobicContact CB-CB 3.99Å; E305-R448 HydrophobicContact CB-CG 4.27Å; E305-R448 PolarHBondContact O-N 3.3Å; E305-R448 IonicContact OE1-NH1 3.62Å; E305-R448 WeakPolarHBondContact OE2-CD 3.44Å; E305-R448 IonicContact OE2-CZ 2.91Å; E305-R448 IonicContact OE2-NE 3.21Å; E305-R448 PolarHBondContact OE2-NE 3.29Å; E305-R448 IonicContact OE2-NH1 2.69Å; E305-R448 PolarHBondContact OE2-NH1 3.24Å; R448-F478 CarbonylContact C-O 3.54Å; R448-F478 VanDerWaalsContact CA-O 3.29Å; R448-F478 WeakPolarHBondContact CA-O 3.49Å; R448-E479 HydrophobicContact CG-CB 4.38Å; R448-E479 HydrophobicContact CG-CG 4.14Å; R448-E479 IonicContact CZ-OE2 2.86Å; R448-E479 IonicContact NE-OE2 3.62Å; R448-E479 PolarHBondContact NE-OE2 2.85Å; R448-E479 IonicContact NH2-OE2 3.23Å; R448-E479 PolarHBondContact NH2-OE2 2.74Å
449	L	96.6	Very high	90.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.3	180	168.7	58.5	0	0	0	107.8	V264 V266 F275 Q302 I303 I451 F478 I513	V264-L449 HydrophobicContact CG1-CD2 4.07Å; V266-L449 HydrophobicContact CG2-CD2 4.22Å; F275-L449 HydrophobicContact CD1-CB 4.08Å; F275-L449 HydrophobicContact CD2-CD2 4.43Å; F275-L449 HydrophobicContact CE1-CB 4.05Å; F275-L449 HydrophobicContact CG-CD2 4.41Å; Q302-L449 WeakPolarHBondContact O-CA 3.13Å; Q302-L449 WeakPolarHBondContact O-CD1 3.49Å; I303-L449 HydrophobicContact CD1-CB 4.14Å; I303-L449 HydrophobicContact CD1-CD1 4.22Å; L449-I451 HydrophobicContact CD1-CG1 4.09Å; L449-I451 HydrophobicContact CD2-CD1 3.99Å; L449-I451 HydrophobicContact CD2-CG1 4.22Å; L449-I451 HydrophobicContact CG-CD1 4.09Å; L449-I451 HydrophobicContact CG-CG1 3.79Å; L449-F478 PolarHBondContact N-O 2.91Å; L449-F478 PolarHBondContact O-N 3.37Å; L449-I513 HydrophobicContact CD1-CB 4.02Å; L449-I513 HydrophobicContact CD1-CG1 4.32Å; L449-I513 HydrophobicContact CD1-CG2 4.48Å; L449-I513 HydrophobicContact CD2-CG2 4.34Å
450	C	96.8	Very high	88.2	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.4	172	-167.8	0	0	0	0	109.4	G301 Q302 V304 L470 T471 E476 L477	G301-C450 CarbonylContact C-O 3.41Å; G301-C450 WeakPolarHBondContact CA-O 3.29Å; Q302-C450 PolarHBondContact N-O 3.33Å; Q302-C450 PolarHBondContact O-N 3.14Å; V304-C450 HydrophobicContact CG1-CB 3.61Å; V304-C450 HydrophobicContact CG2-CB 4.24Å; C450-L470 HydrophobicContact CB-CB 3.91Å; C450-L470 HydrophobicContact CB-CD1 4.45Å; C450-T471 PolarHBondContact SG-O 3.22Å; C450-E476 WeakPolarHBondContact CA-O 3.23Å; C450-L477 HydrophobicContact CB-CD2 3.61Å
451	I	95.7	Very high	86.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.8	-176.4	-50.6	174.9	0	0	0	109.3	V264 L295 N298 L449 G475 E476 F478 P515 I518	V264-I451 HydrophobicContact CB-CD1 4.29Å; V264-I451 HydrophobicContact CG1-CD1 3.85Å; V264-I451 HydrophobicContact CG2-CD1 3.58Å; L295-I451 HydrophobicContact CD2-CB 3.65Å; L295-I451 HydrophobicContact CD2-CG2 3.59Å; L295-I451 VanDerWaalsContact CD2-O 3.31Å; L295-I451 WeakPolarHBondContact CD2-O 3.31Å; N298-I451 WeakPolarHBondContact O-CG2 3.35Å; L449-I451 HydrophobicContact CD1-CG1 4.09Å; L449-I451 HydrophobicContact CD2-CD1 3.99Å; L449-I451 HydrophobicContact CD2-CG1 4.22Å; L449-I451 HydrophobicContact CG-CD1 4.09Å; L449-I451 HydrophobicContact CG-CG1 3.79Å; I451-G475 CarbonylContact O-C 3.36Å; I451-G475 VanDerWaalsContact O-CA 3.25Å; I451-G475 WeakPolarHBondContact O-CA 3.42Å; I451-E476 PolarHBondContact N-O 3.36Å; I451-E476 PolarHBondContact O-N 3.46Å; I451-F478 HydrophobicContact CB-CE2 4.37Å; I451-F478 HydrophobicContact CD1-CD2 3.83Å; I451-F478 HydrophobicContact CD1-CE2 3.84Å; I451-F478 HydrophobicContact CG1-CD2 4.13Å; I451-F478 HydrophobicContact CG1-CE2 4.23Å; I451-P515 HydrophobicContact CD1-CG 3.95Å; I451-I518 HydrophobicContact CG2-CD1 4.37Å
452	G	91	Very high	84	Confident	7 Å²	7	59.5 Å²	59.5	7%	0.072	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	16.3	-176.4	0	0	0	0	0	116.4	N298 Y300	N298-G452 PolarHBondContact O-N 3.37Å; Y300-G452 PolarHBondContact O-N 3.34Å
453	K	88.6	Confident	82	Confident	59 Å²	59	64.1 Å²	64.1	26%	0.257	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.2	174.7	-57.2	-55.3	177.6	-159.1	0	112.4	N298 Y300 T455 L470 D474 W512	N298-K453 CarbonylContact C-O 3.56Å; N298-K453 WeakPolarHBondContact CA-O 3.25Å; N298-K453 PolarHBondContact O-N 3.28Å; Y300-K453 WeakPolarHBondContact CB-O 3.42Å; Y300-K453 PolarHBondContact N-O 3.15Å; Y300-K453 PolarHBondContact O-N 3.49Å; K453-T455 VanDerWaalsContact C-N 3.34Å; K453-L470 HydrophobicContact CD-CD2 4.49Å; K453-L470 VanDerWaalsContact CE-CD2 3.46Å; K453-L470 HydrophobicContact CG-CD1 4.13Å; K453-L470 HydrophobicContact CG-CD2 4.22Å; K453-D474 WeakPolarHBondContact CE-OD1 3.4Å; K453-D474 IonicContact NZ-OD1 2.68Å; K453-D474 PolarHBondContact NZ-OD1 3.11Å; K453-W512 HydrophobicContact CB-CZ3 4.27Å; K453-W512 HydrophobicContact CG-CH2 4.03Å; K453-W512 HydrophobicContact CG-CZ3 4.19Å
454	P	83.5	Confident	80.1	Confident	77 Å²	77	67 Å²	67	50%	0.5	36%	0.357	S	S	.	.	S	Bend	trans	-76.5	-21.1	179.6	30.9	-35.2	0	0	0	113	N298 Y300	N298-P454 WeakPolarHBondContact OD1-CD 3.41Å; Y300-P454 WeakPolarHBondContact CD2-O 3.31Å; Y300-P454 WeakPolarHBondContact CE2-O 3.49Å
455	T	83	Confident	78.3	Confident	94 Å²	94	68.5 Å²	68.5	58%	0.577	37%	0.37	S	S	*	.	S	Bend	trans	-147.5	154.7	-177.2	56	0	0	0	0	111.3	K453	K453-T455 VanDerWaalsContact C-N 3.34Å
456	L	82.9	Confident	76.7	Confident	77 Å²	77	72.5 Å²	72.5	40%	0.403	40%	0.395	S	S	.	.			trans	-56.5	146.6	163.3	-80	159.3	0	0	0	111.6	Y300 F460 W512	Y300-L456 HydrophobicContact CD1-CD1 4.37Å; Y300-L456 HydrophobicContact CD1-CD2 4.27Å; Y300-L456 HydrophobicContact CD1-CG 3.74Å; Y300-L456 HydrophobicContact CE1-CD1 3.88Å; Y300-L456 HydrophobicContact CE1-CG 3.71Å; L456-F460 HydrophobicContact CD2-CE2 4.34Å; L456-W512 HydrophobicContact CD2-CB 3.65Å; L456-W512 HydrophobicContact CD2-CD2 4.1Å; L456-W512 HydrophobicContact CD2-CE3 4.18Å; L456-W512 HydrophobicContact CD2-CG 3.88Å
457	P	75.8	Confident	75	Confident	52 Å²	52	76.2 Å²	76.2	34%	0.338	43%	0.427	S	S	.	.			trans	-61.1	136.3	171.1	-21.8	33	0	0	0	112	T459 W512	P457-T459 VanDerWaalsContact C-N 3.26Å; P457-T459 PolarHBondContact O-N 3.28Å; P457-W512 HydrophobicContact CG-CD2 4.44Å; P457-W512 HydrophobicContact CG-CH2 3.9Å; P457-W512 HydrophobicContact CG-CZ2 3.39Å
458	R	68.2	Low	74.1	Confident	255 Å²	255	81.6 Å²	81.6	96%	0.962	46%	0.456	S	S	*	.	S	Bend	trans	-71.3	-16.1	-179.9	-71.9	-175.5	174.6	-175.7	-2.1	114.4
459	T	61.2	Low	73.6	Confident	105 Å²	105	79.8 Å²	79.8	64%	0.644	45%	0.451	S	S	*	.			trans	-118.2	93.1	179.7	47.1	0	0	0	0	109.7	P457 N461	P457-T459 VanDerWaalsContact C-N 3.26Å; P457-T459 PolarHBondContact O-N 3.28Å; T459-N461 VanDerWaalsContact C-N 3.29Å; T459-N461 PolarHBondContact O-N 2.65Å
460	F	55.1	Low	73.2	Confident	140 Å²	140	80.6 Å²	80.6	61%	0.614	46%	0.455	S	S	*	.			trans	-85	70.5	-178.7	-141.9	-86.5	0	0	0	110.4	L456 S462 W512	L456-F460 HydrophobicContact CD2-CE2 4.34Å; F460-S462 PolarHBondContact O-N 3.46Å; F460-W512 HydrophobicContact CE2-CB 4.4Å; F460-W512 AromaticContact CE2-CD1 3.68Å; F460-W512 HydrophobicContact CE2-CG 4.16Å; F460-W512 HydrophobicContact CZ-CB 4.49Å; F460-W512 AromaticContact CZ-CD1 3.79Å; F460-W512 HydrophobicContact CZ-CG 4.43Å
461	N	54.4	Low	72.8	Confident	107 Å²	107	83.5 Å²	83.5	57%	0.572	47%	0.473	S	S	*	.			trans	-68.8	117.2	-177.8	-68.6	5.5	0	0	0	110	T459 S463	T459-N461 VanDerWaalsContact C-N 3.29Å; T459-N461 PolarHBondContact O-N 2.65Å; N461-S463 PolarHBondContact O-N 3.07Å
462	S	53.3	Low	72.3	Confident	121 Å²	121	87.6 Å²	87.6	85%	0.846	50%	0.502	S	S	*	.	S	Bend	trans	-59.4	-20.9	-175.1	-174.6	0	0	0	0	114.5	F460 I464	F460-S462 PolarHBondContact O-N 3.46Å; S462-I464 PolarHBondContact O-N 3.25Å
463	S	55.2	Low	72.1	Confident	99 Å²	99	96.1 Å²	96.1	69%	0.692	54%	0.539	S	S	*	.	S	Bend	trans	-89.1	84.3	173.7	47.6	0	0	0	0	111.2	N461 S465	N461-S463 PolarHBondContact O-N 3.07Å; S463-S465 PolarHBondContact O-N 3.45Å
464	I	56.9	Low	72.1	Confident	87 Å²	87	95.6 Å²	95.6	45%	0.446	54%	0.54	S	S	.	.			trans	-68.3	110.4	173.4	-63.4	168.4	0	0	0	109.1	S462 L469	S462-I464 PolarHBondContact O-N 3.25Å; I464-L469 HydrophobicContact CG2-CD2 4.26Å
465	S	59.1	Low	72.5	Confident	51 Å²	51	92.5 Å²	92.5	36%	0.357	52%	0.521	S	S	.	.			trans	-88.2	148.4	165.7	66.7	0	0	0	0	110.1	S463 A467 N468	S463-S465 PolarHBondContact O-N 3.45Å; S465-A467 PolarHBondContact O-N 3.24Å; S465-A467 VanDerWaalsContact O-N 3.16Å; S465-N468 PolarHBondContact O-N 2.84Å; S465-N468 PolarHBondContact OG-ND2 3.01Å
466	T	61.2	Low	73.2	Confident	115 Å²	115	88.8 Å²	88.8	71%	0.706	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-61.1	-20.7	174.6	23.3	0	0	0	0	113.5	N468 L469	T466-N468 PolarHBondContact O-N 2.95Å; T466-L469 HydrophobicContact CG2-CD1 4Å
467	A	63.1	Low	73.8	Confident	88 Å²	88	86.5 Å²	86.5	73%	0.727	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-71.5	-13.5	174.9	0	0	0	0	0	114.1	S465	S465-A467 PolarHBondContact O-N 3.24Å; S465-A467 VanDerWaalsContact O-N 3.16Å
468	N	77.4	Confident	74.9	Confident	114 Å²	114	84.1 Å²	84.1	61%	0.61	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-108.7	14	-178.5	-66.4	-9	0	0	0	112.9	S465 T466	S465-N468 PolarHBondContact O-N 2.84Å; S465-N468 PolarHBondContact OG-ND2 3.01Å; T466-N468 PolarHBondContact O-N 2.95Å
469	L	85.9	Confident	76.3	Confident	27 Å²	27	73.7 Å²	73.7	14%	0.141	43%	0.432	C	S	.	.	S	Bend	trans	-82.7	143.9	174.7	-66.4	175.2	0	0	0	110.8	I464 T466 L509	I464-L469 HydrophobicContact CG2-CD2 4.26Å; T466-L469 HydrophobicContact CG2-CD1 4Å; L469-L509 HydrophobicContact CD1-CD1 3.95Å; L469-L509 HydrophobicContact CD1-CD2 4.44Å; L469-L509 HydrophobicContact CD1-CG 4.26Å; L469-L509 HydrophobicContact CD2-CD1 4.48Å
470	L	89.8	Confident	78	Confident	17 Å²	17	69 Å²	69	9%	0.089	40%	0.404	C	S	.	.			trans	-60.9	146.8	171.7	-60.4	-170.2	0	0	0	111.9	Q302 V304 C450 K453 D474 W512	Q302-L470 HydrophobicContact CB-CB 4.49Å; Q302-L470 HydrophobicContact CB-CD1 3.89Å; Q302-L470 HydrophobicContact CB-CG 3.92Å; V304-L470 HydrophobicContact CG1-CB 3.95Å; V304-L470 WeakPolarHBondContact CG1-O 3.32Å; C450-L470 HydrophobicContact CB-CB 3.91Å; C450-L470 HydrophobicContact CB-CD1 4.45Å; K453-L470 HydrophobicContact CD-CD2 4.49Å; K453-L470 VanDerWaalsContact CE-CD2 3.46Å; K453-L470 HydrophobicContact CG-CD1 4.13Å; K453-L470 HydrophobicContact CG-CD2 4.22Å; L470-D474 HydrophobicContact CB-CB 4.05Å; L470-D474 HydrophobicContact CD2-CB 3.98Å; L470-D474 HydrophobicContact CG-CB 4.46Å; L470-W512 HydrophobicContact CD1-CH2 3.96Å; L470-W512 HydrophobicContact CD1-CZ3 4.23Å; L470-W512 HydrophobicContact CD2-CH2 4.09Å; L470-W512 HydrophobicContact CG-CH2 4.18Å
471	T	87.7	Confident	79.9	Confident	62 Å²	62	66.2 Å²	66.2	38%	0.38	39%	0.391	S	S	.	.			trans	-115.8	174.8	178.8	69.6	0	0	0	0	111.6	C450 E473 D474	C450-T471 PolarHBondContact SG-O 3.22Å; T471-E473 PolarHBondContact O-N 3.28Å; T471-E473 VanDerWaalsContact O-N 3.13Å; T471-E473 PolarHBondContact OG1-N 3.38Å; T471-E473 VanDerWaalsContact OG1-N 3.13Å; T471-D474 WeakPolarHBondContact CB-OD2 3.34Å; T471-D474 PolarHBondContact N-OD2 3.07Å; T471-D474 WeakPolarHBondContact O-CB 3.43Å; T471-D474 PolarHBondContact O-N 2.89Å; T471-D474 PolarHBondContact OG1-N 3.2Å; T471-D474 PolarHBondContact OG1-OD2 3.05Å
472	S	86	Confident	81.8	Confident	86 Å²	86	61.4 Å²	61.4	60%	0.601	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.6	169.1	51	0	0	0	0	114.7
473	E	86.9	Confident	83.9	Confident	185 Å²	185	57 Å²	57	86%	0.864	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-20.2	170.8	-54.1	-173.3	170.8	0	0	111.3	T471	T471-E473 PolarHBondContact O-N 3.28Å; T471-E473 VanDerWaalsContact O-N 3.13Å; T471-E473 PolarHBondContact OG1-N 3.38Å; T471-E473 VanDerWaalsContact OG1-N 3.13Å
474	D	88.6	Confident	85.8	Confident	49 Å²	49	57.1 Å²	57.1	26%	0.262	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-15	179.2	-70.4	-80.5	0	0	0	114.4	K453 L470 T471	K453-D474 WeakPolarHBondContact CE-OD1 3.4Å; K453-D474 IonicContact NZ-OD1 2.68Å; K453-D474 PolarHBondContact NZ-OD1 3.11Å; L470-D474 HydrophobicContact CB-CB 4.05Å; L470-D474 HydrophobicContact CD2-CB 3.98Å; L470-D474 HydrophobicContact CG-CB 4.46Å; T471-D474 WeakPolarHBondContact CB-OD2 3.34Å; T471-D474 PolarHBondContact N-OD2 3.07Å; T471-D474 WeakPolarHBondContact O-CB 3.43Å; T471-D474 PolarHBondContact O-N 2.89Å; T471-D474 PolarHBondContact OG1-N 3.2Å; T471-D474 PolarHBondContact OG1-OD2 3.05Å
475	G	91.7	Very high	87.7	Confident	11 Å²	11	54.5 Å²	54.5	11%	0.113	31%	0.311	C	S	.	.	S	Bend	trans	166	-169.2	-172.8	0	0	0	0	0	114.3	I451	I451-G475 CarbonylContact O-C 3.36Å; I451-G475 VanDerWaalsContact O-CA 3.25Å; I451-G475 WeakPolarHBondContact O-CA 3.42Å
476	E	96	Very high	89.4	Confident	17 Å²	17	57.4 Å²	57.4	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.4	-179.9	-69.1	-64.2	138.4	0	0	112.3	W277 R279 Y291 L295 C450 I451 F478	W277-E476 PolarHBondContact NE1-OE2 3.42Å; R279-E476 IonicContact CZ-OE1 2.79Å; R279-E476 IonicContact CZ-OE2 3.13Å; R279-E476 IonicContact NE-OE1 3.57Å; R279-E476 PolarHBondContact NE-OE1 3.32Å; R279-E476 IonicContact NE-OE2 2.66Å; R279-E476 PolarHBondContact NE-OE2 3.43Å; R279-E476 IonicContact NH2-OE1 3.21Å; R279-E476 PolarHBondContact NH2-OE1 2.97Å; R279-E476 IonicContact NH2-OE2 2.74Å; Y291-E476 HydrophobicContact CD1-CG 4.11Å; Y291-E476 WeakPolarHBondContact CD1-OE1 3.46Å; Y291-E476 WeakPolarHBondContact CE1-OE1 3.43Å; L295-E476 HydrophobicContact CD1-CB 4.19Å; L295-E476 HydrophobicContact CD1-CG 4.18Å; L295-E476 HydrophobicContact CD2-CB 4.18Å; L295-E476 HydrophobicContact CD2-CG 4.5Å; L295-E476 HydrophobicContact CG-CG 4.48Å; C450-E476 WeakPolarHBondContact CA-O 3.23Å; I451-E476 PolarHBondContact N-O 3.36Å; I451-E476 PolarHBondContact O-N 3.46Å; E476-F478 HydrophobicContact CB-CE2 3.75Å; E476-F478 HydrophobicContact CB-CZ 4.26Å; E476-F478 WeakPolarHBondContact O-CD2 3.22Å; E476-F478 WeakPolarHBondContact O-CE2 3.3Å
477	L	97	Very high	91.1	Very high	29 Å²	29	53.2 Å²	53.2	15%	0.152	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137	178.8	-73	170.3	0	0	0	112.5	Q278 V304 C450	Q278-L477 HydrophobicContact CB-CB 4.09Å; Q278-L477 VanDerWaalsContact CB-O 3.32Å; Q278-L477 WeakPolarHBondContact CB-O 3.39Å; Q278-L477 PolarHBondContact N-O 3Å; Q278-L477 VanDerWaalsContact OE1-CB 3.24Å; V304-L477 HydrophobicContact CG2-CD2 3.75Å; C450-L477 HydrophobicContact CB-CD2 3.61Å
478	F	97.9	Very high	92.8	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.4	175.1	-59.3	-101.2	0	0	0	110.2	I262 V264 F275 Q276 W277 L295 R448 L449 I451 E476	I262-F478 HydrophobicContact CB-CE1 4.03Å; I262-F478 HydrophobicContact CB-CZ 4.32Å; I262-F478 HydrophobicContact CG2-CE1 3.78Å; I262-F478 HydrophobicContact CG2-CZ 3.88Å; V264-F478 HydrophobicContact CB-CD1 4.25Å; V264-F478 HydrophobicContact CG2-CD1 3.58Å; V264-F478 HydrophobicContact CG2-CD2 4.16Å; V264-F478 HydrophobicContact CG2-CE1 3.48Å; V264-F478 VanDerWaalsContact CG2-CE1 3.48Å; V264-F478 HydrophobicContact CG2-CE2 4.06Å; V264-F478 HydrophobicContact CG2-CG 3.96Å; V264-F478 HydrophobicContact CG2-CZ 3.74Å; F275-F478 HydrophobicContact CB-CB 3.97Å; Q276-F478 CarbonylContact O-C 3.6Å; Q276-F478 WeakPolarHBondContact O-CA 3.41Å; W277-F478 VanDerWaalsContact CA-CD1 3.42Å; W277-F478 HydrophobicContact CB-CD1 3.82Å; W277-F478 HydrophobicContact CB-CE1 3.6Å; W277-F478 HydrophobicContact CB-CZ 4.45Å; W277-F478 AromaticContact CD1-CE1 3.76Å; W277-F478 AromaticContact CD1-CZ 3.77Å; W277-F478 HydrophobicContact CG-CD1 4.39Å; W277-F478 AromaticContact CG-CE1 3.87Å; W277-F478 HydrophobicContact CG-CE1 3.87Å; W277-F478 HydrophobicContact CG-CZ 4.26Å; L295-F478 HydrophobicContact CD1-CE2 4.16Å; L295-F478 HydrophobicContact CD1-CZ 3.73Å; L295-F478 HydrophobicContact CD2-CE2 4.39Å; R448-F478 CarbonylContact C-O 3.54Å; R448-F478 VanDerWaalsContact CA-O 3.29Å; R448-F478 WeakPolarHBondContact CA-O 3.49Å; L449-F478 PolarHBondContact N-O 2.91Å; L449-F478 PolarHBondContact O-N 3.37Å; I451-F478 HydrophobicContact CB-CE2 4.37Å; I451-F478 HydrophobicContact CD1-CD2 3.83Å; I451-F478 HydrophobicContact CD1-CE2 3.84Å; I451-F478 HydrophobicContact CG1-CD2 4.13Å; I451-F478 HydrophobicContact CG1-CE2 4.23Å; E476-F478 HydrophobicContact CB-CE2 3.75Å; E476-F478 HydrophobicContact CB-CZ 4.26Å; E476-F478 WeakPolarHBondContact O-CD2 3.22Å; E476-F478 WeakPolarHBondContact O-CE2 3.3Å
479	E	97.5	Very high	93.7	Very high	36 Å²	36	48 Å²	48	17%	0.168	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.3	-176.8	-170.6	178.2	92.8	0	0	110.5	Q276 I446 V447 R448 K481	Q276-E479 PolarHBondContact N-O 2.97Å; Q276-E479 PolarHBondContact O-N 2.79Å; I446-E479 HydrophobicContact CG2-CG 3.61Å; V447-E479 WeakPolarHBondContact O-CA 3.27Å; R448-E479 HydrophobicContact CG-CB 4.38Å; R448-E479 HydrophobicContact CG-CG 4.14Å; R448-E479 IonicContact CZ-OE2 2.86Å; R448-E479 IonicContact NE-OE2 3.62Å; R448-E479 PolarHBondContact NE-OE2 2.85Å; R448-E479 IonicContact NH2-OE2 3.23Å; R448-E479 PolarHBondContact NH2-OE2 2.74Å; E479-K481 WeakPolarHBondContact OE1-CE 3.37Å; E479-K481 IonicContact OE1-NZ 3.42Å; E479-K481 PolarHBondContact OE1-NZ 3.27Å
480	S	97	Very high	94.3	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	161.5	162.5	-152.9	0	0	0	0	111	T273 E274 I446 V447 K502	T273-S480 WeakPolarHBondContact CG2-OG 3.49Å; E274-S480 WeakPolarHBondContact O-CB 3.3Å; E274-S480 PolarHBondContact O-OG 3.46Å; I446-S480 WeakPolarHBondContact CA-O 3.49Å; V447-S480 PolarHBondContact N-O 2.63Å; V447-S480 PolarHBondContact O-N 2.87Å; S480-K502 PolarHBondContact OG-NZ 2.92Å
481	K	95.8	Very high	94.7	Very high	81 Å²	81	46.9 Å²	46.9	35%	0.352	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.2	179.3	-58.7	-164.4	176.8	77.2	0	110.5	T445 I446 E479 K502	T445-K481 CarbonylContact O-C 3.5Å; T445-K481 VanDerWaalsContact O-CA 3.27Å; T445-K481 WeakPolarHBondContact O-CA 3.5Å; I446-K481 HydrophobicContact CB-CG 4.49Å; I446-K481 HydrophobicContact CD1-CD 4.35Å; I446-K481 HydrophobicContact CG1-CD 4.09Å; I446-K481 HydrophobicContact CG1-CG 4.1Å; I446-K481 HydrophobicContact CG2-CG 4.22Å; E479-K481 WeakPolarHBondContact OE1-CE 3.37Å; E479-K481 IonicContact OE1-NZ 3.42Å; E479-K481 PolarHBondContact OE1-NZ 3.27Å; K481-K502 VanDerWaalsContact O-CD 3.28Å; K481-K502 WeakPolarHBondContact O-CD 3.49Å; K481-K502 WeakPolarHBondContact O-CE 3.46Å; K481-K502 PolarHBondContact O-NZ 2.89Å
482	G	95	Very high	95.2	Very high	6 Å²	6	48 Å²	48	6%	0.062	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154.9	163.8	0	0	0	0	0	110.8	E444 T445 K502	E444-G482 WeakPolarHBondContact CA-O 3.39Å; T445-G482 PolarHBondContact N-O 3.46Å; T445-G482 PolarHBondContact O-N 3.32Å; G482-K502 CarbonylContact C-O 3.58Å; G482-K502 WeakPolarHBondContact CA-O 3.43Å
483	L	96	Very high	95.7	Very high	29 Å²	29	44 Å²	44	15%	0.152	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	124.2	176.5	173.5	65.5	0	0	0	109.4	K311 A443 W499 E501 K502	K311-L483 HydrophobicContact CB-CD1 4.25Å; K311-L483 HydrophobicContact CG-CD1 4.18Å; A443-L483 WeakPolarHBondContact O-CA 3.5Å; L483-W499 HydrophobicContact CD1-CZ2 4.07Å; L483-W499 HydrophobicContact CD2-CZ2 4.27Å; L483-E501 CarbonylContact O-C 3.57Å; L483-E501 VanDerWaalsContact O-CA 3.26Å; L483-E501 WeakPolarHBondContact O-CA 3.32Å; L483-E501 WeakPolarHBondContact O-CB 3.5Å; L483-K502 PolarHBondContact N-O 3.23Å; L483-K502 PolarHBondContact O-N 3.35Å
484	M	95	Very high	96.2	Very high	101 Å²	101	35.5 Å²	35.5	50%	0.498	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.2	171.4	-178	179	63.1	0	0	108.7	G442 A443 L486 E501	G442-M484 CarbonylContact C-O 3.53Å; G442-M484 WeakPolarHBondContact CA-O 3.3Å; A443-M484 HydrophobicContact CB-CE 4.34Å; A443-M484 PolarHBondContact N-O 3.4Å; A443-M484 PolarHBondContact O-N 2.9Å; M484-L486 HydrophobicContact CE-CD2 3.82Å; M484-E501 WeakPolarHBondContact CA-OE1 3.24Å
485	I	96.4	Very high	96.6	Very high	32 Å²	32	37.9 Å²	37.9	16%	0.164	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.5	177.6	-68.3	168.8	0	0	0	108.4	L488 W499 E501	I485-L488 HydrophobicContact CG2-CD2 4.02Å; I485-L488 HydrophobicContact CG2-CG 4.3Å; I485-W499 HydrophobicContact CD1-CB 4.09Å; I485-W499 HydrophobicContact CD1-CD2 3.97Å; I485-W499 HydrophobicContact CD1-CE3 3.79Å; I485-W499 HydrophobicContact CD1-CG 4.11Å; I485-W499 HydrophobicContact CG1-CD2 4.05Å; I485-W499 HydrophobicContact CG1-CE3 3.68Å; I485-W499 HydrophobicContact CG1-CZ3 3.94Å; I485-W499 HydrophobicContact CG2-CE3 4.32Å; I485-W499 HydrophobicContact CG2-CZ3 4.24Å; I485-E501 HydrophobicContact CB-CG 4.15Å; I485-E501 HydrophobicContact CD1-CG 3.89Å; I485-E501 HydrophobicContact CG1-CG 3.9Å; I485-E501 PolarHBondContact N-OE1 3Å
486	L	96.7	Very high	96.8	Very high	112 Å²	112	39.1 Å²	39.1	59%	0.586	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	-35.4	-179.1	-67.1	171.3	0	0	0	111.7	E441 A443 M484	E441-L486 PolarHBondContact O-N 3.01Å; A443-L486 HydrophobicContact CB-CD1 4.42Å; M484-L486 HydrophobicContact CE-CD2 3.82Å
487	A	96.8	Very high	96.8	Very high	28 Å²	28	40.9 Å²	40.9	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	129.3	174	0	0	0	0	0	111.1	A440 E441	A440-A487 WeakPolarHBondContact CA-O 3.34Å; E441-A487 HydrophobicContact CB-CB 4.27Å; E441-A487 PolarHBondContact N-O 2.79Å; E441-A487 PolarHBondContact O-N 3.38Å
488	L	97.1	Very high	96.5	Very high	81 Å²	81	48.8 Å²	48.8	42%	0.424	24%	0.237	S	C	.	.			trans	-72.5	-38.2	177.6	-74.5	170.4	0	0	0	112.2	A440 I485 Y490 L491 E492	A440-L488 VanDerWaalsContact CB-O 3.25Å; A440-L488 WeakPolarHBondContact CB-O 3.44Å; I485-L488 HydrophobicContact CG2-CD2 4.02Å; I485-L488 HydrophobicContact CG2-CG 4.3Å; L488-Y490 PolarHBondContact O-N 2.91Å; L488-Y490 VanDerWaalsContact O-N 3.14Å; L488-L491 HydrophobicContact CB-CB 4.21Å; L488-L491 HydrophobicContact CD2-CB 4.04Å; L488-L491 HydrophobicContact CD2-CD1 4.01Å; L488-L491 WeakPolarHBondContact O-CB 3.34Å; L488-L491 PolarHBondContact O-N 3.48Å; L488-E492 HydrophobicContact CB-CG 3.83Å
489	N	97.5	Very high	96.4	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.059	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	47.1	-117.9	179.2	-68.6	-30.9	0	0	0	110.7	F384 T438 D439 E441 L491 E492	F384-N489 VanDerWaalsContact CE2-O 3.31Å; F384-N489 WeakPolarHBondContact CE2-O 3.45Å; T438-N489 WeakPolarHBondContact O-CB 3.21Å; T438-N489 WeakPolarHBondContact OG1-CB 3.49Å; T438-N489 PolarHBondContact OG1-ND2 3.04Å; T438-N489 VanDerWaalsContact OG1-ND2 3.09Å; T438-N489 PolarHBondContact OG1-OD1 3.37Å; D439-N489 PolarHBondContact O-ND2 2.94Å; E441-N489 PolarHBondContact OE1-ND2 3.19Å; N489-L491 PolarHBondContact O-N 3.27Å; N489-E492 PolarHBondContact N-OE1 2.86Å; N489-E492 WeakPolarHBondContact O-CB 3.37Å; N489-E492 WeakPolarHBondContact O-CG 3.29Å; N489-E492 PolarHBondContact O-N 3.06Å
490	Y	98.2	Very high	96.1	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.5	-22.5	-179.4	89.1	-80.2	0	0	0	115.7	K313 W314 R315 A434 T438 A440 L488 E492 V493 Y494	K313-Y490 WeakPolarHBondContact CD-OH 3.2Å; K313-Y490 WeakPolarHBondContact CE-OH 3.48Å; K313-Y490 PolarHBondContact NZ-OH 3.38Å; K313-Y490 WeakPolarHBondContact O-CE1 3.47Å; W314-Y490 PolarHBondContact O-OH 2.86Å; R315-Y490 HydrophobicContact CB-CD1 3.57Å; R315-Y490 HydrophobicContact CB-CD2 3.81Å; R315-Y490 HydrophobicContact CB-CE1 4.16Å; R315-Y490 HydrophobicContact CB-CE2 4.34Å; R315-Y490 HydrophobicContact CB-CG 3.36Å; A434-Y490 HydrophobicContact CB-CD2 4.14Å; T438-Y490 PolarHBondContact O-N 3.11Å; A440-Y490 HydrophobicContact CB-CD1 3.97Å; A440-Y490 HydrophobicContact CB-CE1 3.73Å; L488-Y490 PolarHBondContact O-N 2.91Å; L488-Y490 VanDerWaalsContact O-N 3.14Å; Y490-E492 PolarHBondContact O-N 3.45Å; Y490-V493 WeakPolarHBondContact O-CG1 3.46Å; Y490-V493 PolarHBondContact O-N 3.05Å; Y490-Y494 HydrophobicContact CD2-CD1 4.25Å; Y490-Y494 HydrophobicContact CD2-CG 4.42Å; Y490-Y494 HydrophobicContact CE2-CD1 4.02Å; Y490-Y494 VanDerWaalsContact O-CB 3.25Å; Y490-Y494 WeakPolarHBondContact O-CB 3.16Å; Y490-Y494 PolarHBondContact O-N 3.23Å
491	L	97.9	Very high	95.9	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-69.4	-20.8	178.3	-64.6	171	0	0	0	112.9	A440 L488 N489 V493 D497 W499	A440-L491 HydrophobicContact CB-CD1 3.65Å; A440-L491 HydrophobicContact CB-CG 4.07Å; L488-L491 HydrophobicContact CB-CB 4.21Å; L488-L491 HydrophobicContact CD2-CB 4.04Å; L488-L491 HydrophobicContact CD2-CD1 4.01Å; L488-L491 WeakPolarHBondContact O-CB 3.34Å; L488-L491 PolarHBondContact O-N 3.48Å; N489-L491 PolarHBondContact O-N 3.27Å; L491-V493 VanDerWaalsContact C-N 3.29Å; L491-V493 PolarHBondContact O-N 3.33Å; L491-D497 HydrophobicContact CD2-CB 4.25Å; L491-W499 HydrophobicContact CD1-CB 3.66Å; L491-W499 HydrophobicContact CD1-CD2 4.4Å; L491-W499 HydrophobicContact CD1-CE3 3.8Å; L491-W499 HydrophobicContact CD1-CG 4.43Å
492	E	97.4	Very high	95.7	Very high	84 Å²	84	58.2 Å²	58.2	39%	0.393	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-61.3	-37.4	174.7	-64.5	164.6	-145.8	0	0	111.6	F384 R387 L488 N489 Y490	F384-E492 HydrophobicContact CD2-CB 3.86Å; F384-E492 HydrophobicContact CE2-CB 3.79Å; F384-E492 HydrophobicContact CE2-CG 4.49Å; R387-E492 IonicContact CZ-OE2 2.8Å; R387-E492 IonicContact NE-OE2 3.96Å; R387-E492 IonicContact NH2-OE2 2.66Å; R387-E492 PolarHBondContact NH2-OE2 3.41Å; L488-E492 HydrophobicContact CB-CG 3.83Å; N489-E492 PolarHBondContact N-OE1 2.86Å; N489-E492 WeakPolarHBondContact O-CB 3.37Å; N489-E492 WeakPolarHBondContact O-CG 3.29Å; N489-E492 PolarHBondContact O-N 3.06Å; Y490-E492 PolarHBondContact O-N 3.45Å
493	V	97.9	Very high	95.3	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.012	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-31.1	178.4	75.6	0	0	0	0	113	W381 F384 R430 L433 A434 Y490 L491 I495	W381-V493 HydrophobicContact CB-CG2 3.82Å; F384-V493 HydrophobicContact CD1-CB 3.6Å; F384-V493 HydrophobicContact CD1-CG1 3.75Å; F384-V493 HydrophobicContact CD1-CG2 4.04Å; F384-V493 HydrophobicContact CD2-CB 4.32Å; F384-V493 HydrophobicContact CE1-CB 3.66Å; F384-V493 HydrophobicContact CE1-CG1 3.28Å; F384-V493 HydrophobicContact CE1-CG2 4.42Å; F384-V493 HydrophobicContact CE2-CB 4.4Å; F384-V493 HydrophobicContact CE2-CG1 4.44Å; F384-V493 HydrophobicContact CG-CB 3.94Å; F384-V493 HydrophobicContact CG-CG1 4.48Å; F384-V493 HydrophobicContact CG-CG2 4.5Å; F384-V493 HydrophobicContact CZ-CB 4.07Å; F384-V493 HydrophobicContact CZ-CG1 3.68Å; R430-V493 HydrophobicContact CB-CG2 4.34Å; R430-V493 VanDerWaalsContact CD-O 3.27Å; R430-V493 WeakPolarHBondContact CD-O 3.45Å; R430-V493 HydrophobicContact CG-CG2 4.11Å; R430-V493 PolarHBondContact NH1-O 2.99Å; L433-V493 HydrophobicContact CB-CG1 4.27Å; L433-V493 HydrophobicContact CB-CG2 4.26Å; L433-V493 HydrophobicContact CD1-CG2 4.21Å; A434-V493 HydrophobicContact CB-CG1 3.96Å; Y490-V493 WeakPolarHBondContact O-CG1 3.46Å; Y490-V493 PolarHBondContact O-N 3.05Å; L491-V493 VanDerWaalsContact C-N 3.29Å; L491-V493 PolarHBondContact O-N 3.33Å; V493-I495 PolarHBondContact O-N 3.01Å
494	Y	97.9	Very high	95	Very high	7 Å²	7	62.7 Å²	62.7	3%	0.027	31%	0.313	C	S	.	.			trans	-97	61.6	-166.5	-156.5	-119.3	0	0	0	113.8	P316 L327 R430 H431 A434 Y490 Y496 D497	P316-Y494 HydrophobicContact CG-CE1 4.41Å; L327-Y494 WeakPolarHBondContact CD1-OH 3.03Å; R430-Y494 HydrophobicContact CB-CD2 4.15Å; H431-Y494 HydrophobicContact CB-CD2 4.5Å; H431-Y494 HydrophobicContact CB-CE2 3.73Å; H431-Y494 AromaticContact ND1-CE2 3.76Å; H431-Y494 AromaticContact ND1-CZ 3.57Å; H431-Y494 PolarHBondContact ND1-OH 3.09Å; A434-Y494 HydrophobicContact CB-CD2 3.9Å; A434-Y494 HydrophobicContact CB-CG 3.84Å; Y490-Y494 HydrophobicContact CD2-CD1 4.25Å; Y490-Y494 HydrophobicContact CD2-CG 4.42Å; Y490-Y494 HydrophobicContact CE2-CD1 4.02Å; Y490-Y494 VanDerWaalsContact O-CB 3.25Å; Y490-Y494 WeakPolarHBondContact O-CB 3.16Å; Y490-Y494 PolarHBondContact O-N 3.23Å; Y494-Y496 AromaticContact CD2-CD2 3.88Å; Y494-Y496 HydrophobicContact CD2-CD2 3.88Å; Y494-Y496 AromaticContact CE2-CD2 3.59Å; Y494-Y496 HydrophobicContact CE2-CD2 3.59Å; Y494-Y496 HydrophobicContact CE2-CE2 4.32Å; Y494-Y496 PolarHBondContact O-N 3.48Å; Y494-D497 HydrophobicContact CD1-CB 3.77Å; Y494-D497 HydrophobicContact CE1-CB 4.1Å; Y494-D497 PolarHBondContact O-N 3.07Å
495	I	95.8	Very high	94.8	Very high	99 Å²	99	58.3 Å²	58.3	51%	0.508	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-18	-177.7	64.8	175	0	0	0	116	V493 D497	V493-I495 PolarHBondContact O-N 3.01Å; I495-D497 PolarHBondContact O-N 2.73Å
496	Y	96.5	Very high	94.6	Very high	37 Å²	37	61.3 Å²	61.3	15%	0.145	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.5	176.9	-55.4	-66.7	0	0	0	112.8	K331 L332 L427 R430 Y494	K331-Y496 HydrophobicContact CB-CD1 3.87Å; K331-Y496 HydrophobicContact CB-CE1 4.5Å; K331-Y496 HydrophobicContact CG-CD1 4.33Å; K331-Y496 PolarHBondContact NZ-O 3.31Å; L332-Y496 HydrophobicContact CD2-CE1 4.13Å; L427-Y496 WeakPolarHBondContact CA-OH 3.45Å; L427-Y496 HydrophobicContact CB-CE2 4.32Å; L427-Y496 HydrophobicContact CD1-CD1 4.37Å; L427-Y496 HydrophobicContact CD1-CD2 3.68Å; L427-Y496 HydrophobicContact CD1-CE1 4.23Å; L427-Y496 HydrophobicContact CD1-CE2 3.51Å; L427-Y496 HydrophobicContact CD1-CG 4.1Å; L427-Y496 PolarHBondContact N-OH 2.99Å; R430-Y496 HydrophobicContact CB-CE2 4.11Å; Y494-Y496 AromaticContact CD2-CD2 3.88Å; Y494-Y496 HydrophobicContact CD2-CD2 3.88Å; Y494-Y496 AromaticContact CE2-CD2 3.59Å; Y494-Y496 HydrophobicContact CE2-CD2 3.59Å; Y494-Y496 HydrophobicContact CE2-CE2 4.32Å; Y494-Y496 PolarHBondContact O-N 3.48Å
497	D	95.4	Very high	94.5	Very high	54 Å²	54	56.6 Å²	56.6	29%	0.289	29%	0.286	S	S	.	.	S	Bend	trans	-115.5	136.9	-174.4	-117.3	52.3	0	0	0	111.3	K313 K331 L491 Y494 I495	K313-D497 VanDerWaalsContact CE-OD2 3.31Å; K313-D497 WeakPolarHBondContact CE-OD2 3.25Å; K313-D497 IonicContact NZ-OD2 3.17Å; K313-D497 PolarHBondContact NZ-OD2 3.25Å; K331-D497 IonicContact NZ-OD1 3.85Å; K331-D497 PolarHBondContact NZ-OD1 2.88Å; K331-D497 VanDerWaalsContact NZ-OD1 3.14Å; L491-D497 HydrophobicContact CD2-CB 4.25Å; Y494-D497 HydrophobicContact CD1-CB 3.77Å; Y494-D497 HydrophobicContact CE1-CB 4.1Å; Y494-D497 PolarHBondContact O-N 3.07Å; I495-D497 PolarHBondContact O-N 2.73Å
498	R	91.8	Very high	94.3	Very high	195 Å²	195	61.3 Å²	61.3	74%	0.736	30%	0.303	S	S	*	.			trans	-113.1	144.4	-177.2	-63.6	-175.6	-179.9	-168.5	-3.9	111.1	K313	K313-R498 PolarHBondContact NZ-O 3.31Å
499	W	94.3	Very high	94.1	Very high	53 Å²	53	61.6 Å²	61.6	20%	0.201	31%	0.305	C	S	.	.			trans	-139.7	131.6	165.1	-154.8	23.9	0	0	0	104.8	K311 K313 A440 E441 L483 I485 L491	K311-W499 HydrophobicContact CG-CZ2 4.07Å; K311-W499 WeakPolarHBondContact O-CH2 3.36Å; K313-W499 HydrophobicContact CB-CD2 3.71Å; K313-W499 HydrophobicContact CB-CE3 3.9Å; K313-W499 HydrophobicContact CB-CG 4.27Å; K313-W499 HydrophobicContact CB-CH2 4.12Å; K313-W499 HydrophobicContact CB-CZ2 3.93Å; K313-W499 HydrophobicContact CB-CZ3 4.11Å; K313-W499 HydrophobicContact CD-CB 3.81Å; K313-W499 HydrophobicContact CD-CD2 4.01Å; K313-W499 HydrophobicContact CD-CG 3.66Å; K313-W499 HydrophobicContact CG-CD2 4.44Å; A440-W499 HydrophobicContact CB-CE3 3.77Å; A440-W499 HydrophobicContact CB-CZ3 3.6Å; E441-W499 WeakPolarHBondContact O-CZ3 3.37Å; L483-W499 HydrophobicContact CD1-CZ2 4.07Å; L483-W499 HydrophobicContact CD2-CZ2 4.27Å; I485-W499 HydrophobicContact CD1-CB 4.09Å; I485-W499 HydrophobicContact CD1-CD2 3.97Å; I485-W499 HydrophobicContact CD1-CE3 3.79Å; I485-W499 HydrophobicContact CD1-CG 4.11Å; I485-W499 HydrophobicContact CG1-CD2 4.05Å; I485-W499 HydrophobicContact CG1-CE3 3.68Å; I485-W499 HydrophobicContact CG1-CZ3 3.94Å; I485-W499 HydrophobicContact CG2-CE3 4.32Å; I485-W499 HydrophobicContact CG2-CZ3 4.24Å; L491-W499 HydrophobicContact CD1-CB 3.66Å; L491-W499 HydrophobicContact CD1-CD2 4.4Å; L491-W499 HydrophobicContact CD1-CE3 3.8Å; L491-W499 HydrophobicContact CD1-CG 4.43Å
500	A	92.7	Very high	93.8	Very high	76 Å²	76	61.1 Å²	61.1	63%	0.628	30%	0.302	S	S	*	.			trans	-126.8	136.6	-173.5	0	0	0	0	0	108.1
501	E	92.9	Very high	93.5	Very high	105 Å²	105	62.8 Å²	62.8	49%	0.491	31%	0.31	S	S	.	.			trans	-66.6	154.4	173.1	-60.4	-168.6	111	0	0	110.4	L483 M484 I485	L483-E501 CarbonylContact O-C 3.57Å; L483-E501 VanDerWaalsContact O-CA 3.26Å; L483-E501 WeakPolarHBondContact O-CA 3.32Å; L483-E501 WeakPolarHBondContact O-CB 3.5Å; M484-E501 WeakPolarHBondContact CA-OE1 3.24Å; I485-E501 HydrophobicContact CB-CG 4.15Å; I485-E501 HydrophobicContact CD1-CG 3.89Å; I485-E501 HydrophobicContact CG1-CG 3.9Å; I485-E501 PolarHBondContact N-OE1 3Å
502	K	91.5	Very high	93.2	Very high	90 Å²	90	64.2 Å²	64.2	39%	0.391	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-132.5	99.3	168.7	179.7	168.3	174.6	-62.6	0	107.6	S480 K481 G482 L483	S480-K502 PolarHBondContact OG-NZ 2.92Å; K481-K502 VanDerWaalsContact O-CD 3.28Å; K481-K502 WeakPolarHBondContact O-CD 3.49Å; K481-K502 WeakPolarHBondContact O-CE 3.46Å; K481-K502 PolarHBondContact O-NZ 2.89Å; G482-K502 CarbonylContact C-O 3.58Å; G482-K502 WeakPolarHBondContact CA-O 3.43Å; L483-K502 PolarHBondContact N-O 3.23Å; L483-K502 PolarHBondContact O-N 3.35Å
503	D	85.8	Confident	93	Very high	98 Å²	98	60.8 Å²	60.8	52%	0.524	30%	0.299	S	S	.	.			trans	-60.6	150.2	175.4	-111.5	42.5	0	0	0	112.2	K271	K271-D503 WeakPolarHBondContact CE-OD2 3.33Å; K271-D503 IonicContact NZ-OD2 3.35Å; K271-D503 PolarHBondContact NZ-OD2 2.79Å
504	M	88.7	Confident	92.9	Very high	31 Å²	31	65 Å²	65	15%	0.153	32%	0.321	C	S	.	.			trans	-158.4	136.8	-179.4	-167.5	167.1	65.7	0	0	108.1	T273 T445 V447 F507	T273-M504 HydrophobicContact CG2-CG 4.16Å; T273-M504 HydrophobicContact CG2-SD 4.28Å; T445-M504 HydrophobicContact CG2-CE 3.66Å; V447-M504 HydrophobicContact CG2-CE 3.56Å; V447-M504 HydrophobicContact CG2-SD 4.18Å; M504-F507 HydrophobicContact CG-CD2 4.31Å; M504-F507 HydrophobicContact CG-CE2 3.92Å
505	P	92.1	Very high	92.7	Very high	9 Å²	9	64.8 Å²	64.8	6%	0.058	32%	0.32	C	S	.	.			trans	-69	169	174.5	30.5	-33.2	0	0	0	111.2	R268 D269 K271 T273 F507	R268-P505 HydrophobicContact CB-CB 4.36Å; R268-P505 HydrophobicContact CB-CG 4.25Å; R268-P505 HydrophobicContact CG-CB 4.21Å; D269-P505 HydrophobicContact CB-CB 4.44Å; K271-P505 HydrophobicContact CB-CG 4.42Å; T273-P505 WeakPolarHBondContact OG1-CD 3.23Å; P505-F507 HydrophobicContact CG-CE2 3.78Å; P505-F507 HydrophobicContact CG-CZ 3.89Å; P505-F507 WeakPolarHBondContact O-CD2 3.45Å; P505-F507 PolarHBondContact O-N 3.11Å
506	V	92.2	Very high	92.6	Very high	94 Å²	94	63.8 Å²	63.8	57%	0.57	32%	0.316	S	S	*	.			trans	-80.9	114.1	-179.1	-179	0	0	0	0	110.1
507	F	93.3	Very high	92.5	Very high	13 Å²	13	65.4 Å²	65.4	6%	0.057	33%	0.327	C	S	.	.			trans	-99.3	141.2	169	-64	-80.5	0	0	0	110.5	V266 T273 F275 I303 V447 M504 P505 E511 I513	V266-F507 HydrophobicContact CB-CZ 4.5Å; V266-F507 HydrophobicContact CG1-CE1 4.14Å; V266-F507 HydrophobicContact CG1-CZ 4.43Å; T273-F507 HydrophobicContact CG2-CE2 4.37Å; F275-F507 HydrophobicContact CE2-CE1 4.29Å; F275-F507 HydrophobicContact CE2-CE2 4.19Å; F275-F507 AromaticContact CE2-CZ 3.73Å; F275-F507 HydrophobicContact CE2-CZ 3.73Å; F275-F507 HydrophobicContact CZ-CD2 4.38Å; F275-F507 HydrophobicContact CZ-CE1 4.14Å; F275-F507 AromaticContact CZ-CE2 3.85Å; F275-F507 HydrophobicContact CZ-CE2 3.85Å; F275-F507 AromaticContact CZ-CZ 3.72Å; F275-F507 HydrophobicContact CZ-CZ 3.72Å; I303-F507 HydrophobicContact CD1-CB 4.34Å; I303-F507 HydrophobicContact CD1-CD1 3.83Å; I303-F507 HydrophobicContact CD1-CE1 4.48Å; I303-F507 HydrophobicContact CD1-CG 4.26Å; I303-F507 HydrophobicContact CG1-CB 4.28Å; I303-F507 HydrophobicContact CG1-CD1 4.19Å; I303-F507 HydrophobicContact CG2-CB 4.45Å; V447-F507 HydrophobicContact CB-CD2 4.48Å; V447-F507 HydrophobicContact CG1-CB 3.89Å; V447-F507 HydrophobicContact CG1-CD2 4.09Å; V447-F507 HydrophobicContact CG1-CG 4.01Å; V447-F507 HydrophobicContact CG2-CB 4.29Å; V447-F507 HydrophobicContact CG2-CD2 4.09Å; M504-F507 HydrophobicContact CG-CD2 4.31Å; M504-F507 HydrophobicContact CG-CE2 3.92Å; P505-F507 HydrophobicContact CG-CE2 3.78Å; P505-F507 HydrophobicContact CG-CZ 3.89Å; P505-F507 WeakPolarHBondContact O-CD2 3.45Å; P505-F507 PolarHBondContact O-N 3.11Å; F507-E511 WeakPolarHBondContact CA-OE2 3.36Å; F507-I513 HydrophobicContact CD1-CD1 4.33Å; F507-I513 HydrophobicContact CE1-CD1 4.3Å
508	Q	92.8	Very high	92.6	Very high	128 Å²	128	63 Å²	63	60%	0.598	31%	0.314	S	S	*	.			trans	-106.1	148.3	178.2	-61.2	-174.6	-2	0	0	111.4	I303 G510 E511	I303-Q508 VanDerWaalsContact CB-O 3.25Å; I303-Q508 WeakPolarHBondContact CB-O 3.48Å; I303-Q508 VanDerWaalsContact CG2-O 3.28Å; I303-Q508 WeakPolarHBondContact CG2-O 2.99Å; Q508-G510 PolarHBondContact O-N 3.34Å; Q508-E511 HydrophobicContact CB-CB 4.26Å; Q508-E511 PolarHBondContact N-OE2 3.02Å; Q508-E511 WeakPolarHBondContact O-CB 3.49Å; Q508-E511 PolarHBondContact O-N 3.21Å
509	L	94	Very high	92.8	Very high	86 Å²	86	56.4 Å²	56.4	45%	0.45	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	128.8	176.9	-176.2	64.6	0	0	0	110.4	V304 L469 E511	V304-L509 VanDerWaalsContact C-CD1 3.48Å; V304-L509 VanDerWaalsContact O-CD1 3.32Å; V304-L509 WeakPolarHBondContact O-CD1 3.46Å; L469-L509 HydrophobicContact CD1-CD1 3.95Å; L469-L509 HydrophobicContact CD1-CD2 4.44Å; L469-L509 HydrophobicContact CD1-CG 4.26Å; L469-L509 HydrophobicContact CD2-CD1 4.48Å; L509-E511 VanDerWaalsContact C-N 3.29Å
510	G	90.9	Very high	92.9	Very high	1 Å²	1	56 Å²	56	1%	0.01	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	1.7	-176.7	0	0	0	0	0	115.3	Q302 I303 Q508 W512	Q302-G510 WeakPolarHBondContact CG-O 3.29Å; Q302-G510 PolarHBondContact NE2-O 3.37Å; I303-G510 WeakPolarHBondContact O-CA 3.39Å; I303-G510 PolarHBondContact O-N 3.35Å; Q508-G510 PolarHBondContact O-N 3.34Å; G510-W512 PolarHBondContact O-N 3.35Å
511	E	91.7	Very high	93	Very high	37 Å²	37	54.9 Å²	54.9	17%	0.173	28%	0.278	C	S	.	.			trans	-58.2	129.7	173.2	-177.5	177.6	176.8	0	0	110.7	R268 Q302 I303 F507 Q508 L509 I513	R268-E511 IonicContact NH1-OE1 2.74Å; R268-E511 PolarHBondContact NH1-OE1 3.44Å; R268-E511 IonicContact NH1-OE2 2.79Å; Q302-E511 CarbonylContact C-O 3.49Å; Q302-E511 WeakPolarHBondContact CA-O 3.49Å; I303-E511 HydrophobicContact CB-CB 4.28Å; I303-E511 HydrophobicContact CG1-CB 3.96Å; I303-E511 PolarHBondContact N-O 3.22Å; F507-E511 WeakPolarHBondContact CA-OE2 3.36Å; Q508-E511 HydrophobicContact CB-CB 4.26Å; Q508-E511 PolarHBondContact N-OE2 3.02Å; Q508-E511 WeakPolarHBondContact O-CB 3.49Å; Q508-E511 PolarHBondContact O-N 3.21Å; L509-E511 VanDerWaalsContact C-N 3.29Å; E511-I513 HydrophobicContact CG-CD1 3.88Å
512	W	92.8	Very high	93.2	Very high	50 Å²	50	54.7 Å²	54.7	19%	0.189	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.1	175.8	-78.7	85	0	0	0	110.7	G301 Q302 K453 L456 P457 F460 L470 G510	G301-W512 WeakPolarHBondContact O-CA 3.42Å; G301-W512 VanDerWaalsContact O-CE3 3.23Å; Q302-W512 HydrophobicContact CB-CD2 4.33Å; Q302-W512 HydrophobicContact CB-CE3 4.45Å; Q302-W512 HydrophobicContact CB-CZ2 4.39Å; Q302-W512 HydrophobicContact CG-CD2 4.32Å; Q302-W512 HydrophobicContact CG-CG 4.48Å; Q302-W512 HydrophobicContact CG-CZ2 4.44Å; K453-W512 HydrophobicContact CB-CZ3 4.27Å; K453-W512 HydrophobicContact CG-CH2 4.03Å; K453-W512 HydrophobicContact CG-CZ3 4.19Å; L456-W512 HydrophobicContact CD2-CB 3.65Å; L456-W512 HydrophobicContact CD2-CD2 4.1Å; L456-W512 HydrophobicContact CD2-CE3 4.18Å; L456-W512 HydrophobicContact CD2-CG 3.88Å; P457-W512 HydrophobicContact CG-CD2 4.44Å; P457-W512 HydrophobicContact CG-CH2 3.9Å; P457-W512 HydrophobicContact CG-CZ2 3.39Å; F460-W512 HydrophobicContact CE2-CB 4.4Å; F460-W512 AromaticContact CE2-CD1 3.68Å; F460-W512 HydrophobicContact CE2-CG 4.16Å; F460-W512 HydrophobicContact CZ-CB 4.49Å; F460-W512 AromaticContact CZ-CD1 3.79Å; F460-W512 HydrophobicContact CZ-CG 4.43Å; L470-W512 HydrophobicContact CD1-CH2 3.96Å; L470-W512 HydrophobicContact CD1-CZ3 4.23Å; L470-W512 HydrophobicContact CD2-CH2 4.09Å; L470-W512 HydrophobicContact CG-CH2 4.18Å; G510-W512 PolarHBondContact O-N 3.35Å
513	I	92.8	Very high	93.3	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.062	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.8	-175.4	-59.8	-63.6	0	0	0	109.2	V266 G301 I303 L449 F507 E511 P515	V266-I513 HydrophobicContact CG1-CG2 3.91Å; V266-I513 HydrophobicContact CG2-CG2 3.74Å; G301-I513 PolarHBondContact N-O 3.36Å; G301-I513 PolarHBondContact O-N 2.95Å; I303-I513 HydrophobicContact CD1-CG1 3.92Å; I303-I513 HydrophobicContact CG1-CG1 3.92Å; L449-I513 HydrophobicContact CD1-CB 4.02Å; L449-I513 HydrophobicContact CD1-CG1 4.32Å; L449-I513 HydrophobicContact CD1-CG2 4.48Å; L449-I513 HydrophobicContact CD2-CG2 4.34Å; F507-I513 HydrophobicContact CD1-CD1 4.33Å; F507-I513 HydrophobicContact CE1-CD1 4.3Å; E511-I513 HydrophobicContact CG-CD1 3.88Å; I513-P515 HydrophobicContact CG2-CG 4.32Å
514	L	94.5	Very high	93.8	Very high	91 Å²	91	51.4 Å²	51.4	48%	0.476	27%	0.273	S	S	.	.			trans	-102.5	110.4	158.2	178.2	63.4	0	0	0	107	R299 Y300	R299-L514 HydrophobicContact CB-CD1 3.78Å; Y300-L514 HydrophobicContact CD1-CB 4.26Å; Y300-L514 HydrophobicContact CD1-CD1 4.3Å; Y300-L514 HydrophobicContact CE1-CB 4.13Å; Y300-L514 HydrophobicContact CE1-CD1 4.17Å; Y300-L514 HydrophobicContact CE1-CD2 4.27Å; Y300-L514 HydrophobicContact CE1-CG 4.43Å
515	P	94.6	Very high	94	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.271	C	S	.	.			trans	-71.1	146.2	-177.3	-14.9	27.5	0	0	0	112.3	V264 T265 V266 R299 I451 I513 N517 I518	V264-P515 HydrophobicContact CG1-CB 3.39Å; V264-P515 HydrophobicContact CG1-CG 3.54Å; T265-P515 WeakPolarHBondContact O-CB 3.49Å; V266-P515 HydrophobicContact CG2-CB 4.19Å; R299-P515 PolarHBondContact NH2-O 3.19Å; R299-P515 WeakPolarHBondContact O-CD 3.41Å; I451-P515 HydrophobicContact CD1-CG 3.95Å; I513-P515 HydrophobicContact CG2-CG 4.32Å; P515-N517 VanDerWaalsContact C-N 3.31Å; P515-N517 PolarHBondContact O-N 3.07Å; P515-I518 HydrophobicContact CB-CG1 4.46Å; P515-I518 HydrophobicContact CG-CG1 4.48Å
516	D	94.4	Very high	94	Very high	79 Å²	79	55.1 Å²	55.1	42%	0.422	30%	0.3	S	S	.	.	S	Bend	trans	-56.4	-49.4	176.3	-23.1	-51.7	0	0	0	110.1	T265 V266 S267 R299	T265-D516 PolarHBondContact O-N 3.39Å; T265-D516 VanDerWaalsContact O-N 3.08Å; T265-D516 PolarHBondContact OG1-OD2 3.35Å; V266-D516 WeakPolarHBondContact CA-OD2 3.3Å; S267-D516 WeakPolarHBondContact CB-OD2 3.07Å; S267-D516 PolarHBondContact N-OD1 3.39Å; S267-D516 PolarHBondContact N-OD2 3.38Å; S267-D516 PolarHBondContact OG-OD2 3.48Å; R299-D516 PolarHBondContact NH2-O 3.45Å
517	N	94.5	Very high	94	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135.9	-173.4	-168.7	-1.8	0	0	0	110.8	V264 T265 P515	V264-N517 WeakPolarHBondContact CA-O 3.31Å; T265-N517 PolarHBondContact N-O 3.28Å; T265-N517 WeakPolarHBondContact OG1-CB 3.2Å; P515-N517 VanDerWaalsContact C-N 3.31Å; P515-N517 PolarHBondContact O-N 3.07Å
518	I	96.3	Very high	94	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.7	164.2	-52.8	-175.6	0	0	0	104.9	I262 V264 Y292 L295 R299 I451 P515	I262-I518 HydrophobicContact CG2-CG2 3.69Å; V264-I518 HydrophobicContact CG2-CG1 4.32Å; V264-I518 HydrophobicContact CG2-CG2 4.29Å; Y292-I518 HydrophobicContact CD2-CG2 4.21Å; Y292-I518 HydrophobicContact CE2-CG2 4.39Å; Y292-I518 WeakPolarHBondContact CE2-O 3.37Å; L295-I518 HydrophobicContact CB-CD1 4.26Å; L295-I518 HydrophobicContact CB-CG2 4.4Å; R299-I518 HydrophobicContact CG-CD1 4.07Å; I451-I518 HydrophobicContact CG2-CD1 4.37Å; P515-I518 HydrophobicContact CB-CG1 4.46Å; P515-I518 HydrophobicContact CG-CG1 4.48Å
519	Q	95.2	Very high	94.1	Very high	57 Å²	57	52.8 Å²	52.8	27%	0.266	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.7	-172.6	56.3	178.5	-19.3	0	0	111.8	I262 V263 L521	I262-Q519 WeakPolarHBondContact CA-O 3.46Å; V263-Q519 HydrophobicContact CB-CG 3.98Å; V263-Q519 HydrophobicContact CG1-CG 4.26Å; V263-Q519 PolarHBondContact N-O 2.79Å; V263-Q519 PolarHBondContact O-N 2.67Å; Q519-L521 HydrophobicContact CG-CD2 4.33Å; Q519-L521 HydrophobicContact CG-CG 4.23Å
520	V	96.6	Very high	94.2	Very high	45 Å²	45	49.8 Å²	49.8	27%	0.273	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.9	165.9	-176.9	0	0	0	0	108.4	W260 Y292	W260-V520 HydrophobicContact CB-CG1 3.98Å; W260-V520 HydrophobicContact CG-CG1 4.32Å; Y292-V520 VanDerWaalsContact CB-CG2 3.48Å; Y292-V520 HydrophobicContact CD1-CG2 3.65Å; Y292-V520 HydrophobicContact CD2-CG2 3.67Å; Y292-V520 HydrophobicContact CE1-CG2 4.26Å; Y292-V520 HydrophobicContact CE2-CG2 4.29Å; Y292-V520 HydrophobicContact CG-CG2 3.3Å
521	L	95.9	Very high	94.5	Very high	52 Å²	52	49.9 Å²	49.9	27%	0.272	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.7	174.3	-63.7	-179.8	0	0	0	109.8	R261 V263 Q519	R261-L521 HydrophobicContact CG-CB 4.07Å; R261-L521 PolarHBondContact N-O 3.35Å; R261-L521 PolarHBondContact O-N 3.46Å; V263-L521 HydrophobicContact CB-CD1 4.1Å; V263-L521 HydrophobicContact CG2-CD1 3.78Å; V263-L521 HydrophobicContact CG2-CG 4.48Å; Q519-L521 HydrophobicContact CG-CD2 4.33Å; Q519-L521 HydrophobicContact CG-CG 4.23Å
522	T	96.7	Very high	94.7	Very high	100 Å²	100	48.8 Å²	48.8	61%	0.613	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.1	168.8	-48.2	0	0	0	0	110	F259 W260	F259-T522 CarbonylContact O-C 3.52Å; F259-T522 WeakPolarHBondContact O-CA 3.27Å; W260-T522 PolarHBondContact NE1-OG1 2.93Å
523	G	94.3	Very high	94.9	Very high	22 Å²	22	47 Å²	47	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	178	168.5	0	0	0	0	0	110.9	P258 F259	P258-G523 WeakPolarHBondContact CA-O 3.4Å; F259-G523 PolarHBondContact N-O 2.88Å; F259-G523 PolarHBondContact O-N 3.45Å
524	Q	95.1	Very high	95.1	Very high	97 Å²	97	46.4 Å²	46.4	45%	0.453	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.7	171.5	-77.5	-175.9	-12.9	0	0	108.9	E257 F259	E257-Q524 CarbonylContact O-C 3.58Å; E257-Q524 WeakPolarHBondContact O-CA 3.08Å; F259-Q524 VanDerWaalsContact CE1-O 3.29Å; F259-Q524 WeakPolarHBondContact CE1-O 3.32Å
525	T	93.9	Very high	95.3	Very high	20 Å²	20	45.1 Å²	45.1	12%	0.123	26%	0.264	C	S	.	.			trans	-66.5	150.3	169.9	59.9	0	0	0	0	110.2	S256 E257 F259 F283	S256-T525 PolarHBondContact OG-O 3.09Å; E257-T525 HydrophobicContact CB-CG2 4.32Å; E257-T525 PolarHBondContact N-OG1 3.33Å; E257-T525 PolarHBondContact O-N 2.97Å; F259-T525 HydrophobicContact CD1-CG2 4.13Å; F259-T525 HydrophobicContact CE1-CG2 4.45Å; F283-T525 HydrophobicContact CE1-CG2 3.7Å; F283-T525 HydrophobicContact CZ-CG2 4.06Å
526	C	91.9	Very high	95.4	Very high	99 Å²	99	45.1 Å²	45.1	67%	0.669	26%	0.264	S	S	*	.			trans	-118.5	146.7	179	-61.7	0	0	0	0	109.3	F254	F254-C526 VanDerWaalsContact CZ-C 3.47Å; F254-C526 VanDerWaalsContact CZ-O 3.23Å; F254-C526 WeakPolarHBondContact CZ-O 3.36Å
527	P	92.7	Very high	95.6	Very high	57 Å²	57	41.3 Å²	41.3	37%	0.37	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-59.7	159.7	171.2	25.5	-34.3	0	0	0	111.5	V251 F254	V251-P527 HydrophobicContact CB-CB 4.43Å; V251-P527 HydrophobicContact CG1-CB 4.1Å; V251-P527 HydrophobicContact CG1-CG 4.39Å; V251-P527 HydrophobicContact CG2-CB 4.34Å; F254-P527 HydrophobicContact CB-CB 3.81Å; F254-P527 HydrophobicContact CD1-CB 3.91Å; F254-P527 HydrophobicContact CD1-CG 4.41Å; F254-P527 HydrophobicContact CD2-CB 4.28Å; F254-P527 HydrophobicContact CG-CB 3.72Å
528	P	92.9	Very high	95.7	Very high	43 Å²	43	39.5 Å²	39.5	28%	0.279	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-59.3	153	168	27.8	-34.4	0	0	0	110.5	E250 V251	E250-P528 HydrophobicContact CB-CG 4.09Å; V251-P528 HydrophobicContact CG2-CG 4.05Å; V251-P528 WeakPolarHBondContact CG2-O 3.48Å
529	P	93.7	Very high	95.8	Very high	86 Å²	86	40.5 Å²	40.5	56%	0.558	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-68	143.5	170.2	29.7	-34	0	0	0	110.4	R247	R247-P529 VanDerWaalsContact CD-O 3.25Å; R247-P529 WeakPolarHBondContact CD-O 3.43Å; R247-P529 PolarHBondContact NH1-O 3.2Å
530	L	96.4	Very high	95.9	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.115	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-52.6	152.8	164.1	-68.8	170.1	0	0	0	110.6	R247 F248 V251 T532 E567 F571 V573	R247-L530 HydrophobicContact CG-CD2 4.49Å; F248-L530 HydrophobicContact CB-CD2 4.47Å; F248-L530 HydrophobicContact CD2-CD2 3.98Å; V251-L530 HydrophobicContact CG2-CD2 4.13Å; L530-T532 PolarHBondContact O-N 2.97Å; L530-E567 WeakPolarHBondContact CD1-OE2 3.42Å; L530-F571 HydrophobicContact CB-CB 3.93Å; L530-F571 HydrophobicContact CB-CD1 4Å; L530-F571 HydrophobicContact CB-CG 4.17Å; L530-F571 HydrophobicContact CD1-CB 4.29Å; L530-F571 VanDerWaalsContact O-CD1 3.3Å; L530-F571 WeakPolarHBondContact O-CD1 3.33Å; L530-V573 HydrophobicContact CD1-CG2 3.78Å
531	L	97.4	Very high	95.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-67.7	129.1	-178	-62.1	-179.9	0	0	0	110.5	F243 V244 R247 D535 L536 L539 L572	F243-L531 HydrophobicContact CB-CD1 4.11Å; V244-L531 HydrophobicContact CG2-CD1 4.19Å; R247-L531 HydrophobicContact CB-CD1 4.3Å; R247-L531 HydrophobicContact CB-CD2 4.31Å; R247-L531 HydrophobicContact CB-CG 3.86Å; R247-L531 HydrophobicContact CG-CD2 4.29Å; R247-L531 HydrophobicContact CG-CG 4.01Å; L531-D535 HydrophobicContact CB-CB 4.29Å; L531-D535 HydrophobicContact CD2-CB 3.79Å; L531-L536 HydrophobicContact CD1-CB 4.36Å; L531-L536 HydrophobicContact CD1-CD1 4.13Å; L531-L539 HydrophobicContact CD1-CD1 3.78Å; L531-L539 HydrophobicContact CD2-CD1 3.78Å; L531-L539 HydrophobicContact CG-CD1 4.48Å; L531-L572 PolarHBondContact O-N 2.86Å
532	T	96.7	Very high	95.9	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.086	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-78.8	166.4	154.6	70.6	0	0	0	0	109.8	L530 A534 D535 L536 K570 F571	L530-T532 PolarHBondContact O-N 2.97Å; T532-A534 PolarHBondContact O-N 3.38Å; T532-D535 VanDerWaalsContact CB-OD2 3.29Å; T532-D535 WeakPolarHBondContact CB-OD2 3.44Å; T532-D535 WeakPolarHBondContact CG2-OD2 3.2Å; T532-D535 PolarHBondContact N-OD2 3.09Å; T532-D535 WeakPolarHBondContact O-CB 3.4Å; T532-D535 PolarHBondContact O-N 2.87Å; T532-D535 VanDerWaalsContact OG1-CG 3.3Å; T532-D535 PolarHBondContact OG1-N 3.19Å; T532-D535 PolarHBondContact OG1-OD2 2.88Å; T532-L536 PolarHBondContact O-N 2.65Å; T532-K570 HydrophobicContact CG2-CD 4.42Å; T532-K570 HydrophobicContact CG2-CG 3.89Å; T532-F571 HydrophobicContact CG2-CD1 3.93Å; T532-F571 HydrophobicContact CG2-CE1 3.89Å
533	E	96.6	Very high	95.9	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-56	-39.1	174.1	-178.9	156.8	-165.9	0	0	112.2	G335 A336 D535 L536 I537 I555 K559	G335-E533 WeakPolarHBondContact CA-OE2 3.46Å; A336-E533 HydrophobicContact CB-CG 4.31Å; A336-E533 WeakPolarHBondContact CB-OE1 3.37Å; A336-E533 PolarHBondContact N-OE1 2.95Å; E533-D535 PolarHBondContact O-N 3.05Å; E533-L536 PolarHBondContact O-N 3.39Å; E533-I537 HydrophobicContact CG-CD1 4.28Å; E533-I537 WeakPolarHBondContact O-CD1 3.12Å; E533-I537 VanDerWaalsContact O-CG1 3.24Å; E533-I537 WeakPolarHBondContact O-CG1 3.25Å; E533-I537 PolarHBondContact O-N 3.49Å; E533-I555 HydrophobicContact CG-CG2 4.12Å; E533-K559 IonicContact OE1-NZ 3.64Å; E533-K559 PolarHBondContact OE1-NZ 3.49Å; E533-K559 IonicContact OE2-NZ 3.28Å; E533-K559 PolarHBondContact OE2-NZ 2.83Å
534	A	97.1	Very high	96	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-30.9	173.4	0	0	0	0	0	114.2	K326 R330 T532 S538	K326-A534 HydrophobicContact CB-CB 4.1Å; K326-A534 HydrophobicContact CG-CB 4.22Å; R330-A534 HydrophobicContact CG-CB 3.57Å; T532-A534 PolarHBondContact O-N 3.38Å; A534-S538 WeakPolarHBondContact O-CB 3.31Å; A534-S538 PolarHBondContact O-N 3.05Å; A534-S538 VanDerWaalsContact O-N 3.1Å; A534-S538 PolarHBondContact O-OG 3.16Å
535	D	97.6	Very high	96.1	Very high	64 Å²	64	39.6 Å²	39.6	34%	0.342	22%	0.222	S	C	.	.	H	α-helix	trans	-72.5	-38.9	174.5	-58.1	-60.1	0	0	0	110.8	L531 T532 E533 S538 L539	L531-D535 HydrophobicContact CB-CB 4.29Å; L531-D535 HydrophobicContact CD2-CB 3.79Å; T532-D535 VanDerWaalsContact CB-OD2 3.29Å; T532-D535 WeakPolarHBondContact CB-OD2 3.44Å; T532-D535 WeakPolarHBondContact CG2-OD2 3.2Å; T532-D535 PolarHBondContact N-OD2 3.09Å; T532-D535 WeakPolarHBondContact O-CB 3.4Å; T532-D535 PolarHBondContact O-N 2.87Å; T532-D535 VanDerWaalsContact OG1-CG 3.3Å; T532-D535 PolarHBondContact OG1-N 3.19Å; T532-D535 PolarHBondContact OG1-OD2 2.88Å; E533-D535 PolarHBondContact O-N 3.05Å; D535-S538 CarbonylContact O-C 3.43Å; D535-S538 WeakPolarHBondContact O-CB 3.41Å; D535-S538 PolarHBondContact O-N 3.24Å; D535-L539 PolarHBondContact O-N 3.13Å
536	L	98.1	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-46.2	176.4	-179.9	56.1	0	0	0	111.8	T240 F243 V244 L531 T532 E533 S538 L539 M540 I555 I558 L572	T240-L536 HydrophobicContact CG2-CD1 4.26Å; T240-L536 HydrophobicContact CG2-CD2 3.94Å; T240-L536 HydrophobicContact CG2-CG 4.31Å; F243-L536 HydrophobicContact CB-CD1 3.68Å; F243-L536 HydrophobicContact CD2-CD1 3.83Å; F243-L536 HydrophobicContact CG-CD1 4.21Å; V244-L536 HydrophobicContact CG2-CD1 4.32Å; V244-L536 HydrophobicContact CG2-CD2 3.88Å; L531-L536 HydrophobicContact CD1-CB 4.36Å; L531-L536 HydrophobicContact CD1-CD1 4.13Å; T532-L536 PolarHBondContact O-N 2.65Å; E533-L536 PolarHBondContact O-N 3.39Å; L536-S538 PolarHBondContact O-N 2.93Å; L536-L539 PolarHBondContact O-N 3.06Å; L536-M540 HydrophobicContact CD1-CG 4.39Å; L536-M540 HydrophobicContact CG-SD 4.38Å; L536-M540 WeakPolarHBondContact O-CG 3.14Å; L536-M540 PolarHBondContact O-N 2.79Å; L536-I555 HydrophobicContact CB-CD1 4.5Å; L536-I555 HydrophobicContact CD2-CD1 4.15Å; L536-I555 HydrophobicContact CD2-CG1 3.83Å; L536-I555 HydrophobicContact CD2-CG2 4.37Å; L536-I555 HydrophobicContact CG-CD1 4.09Å; L536-I555 HydrophobicContact CG-CG1 4.18Å; L536-I558 HydrophobicContact CD2-CD1 4.19Å; L536-L572 HydrophobicContact CB-CD1 4.07Å; L536-L572 HydrophobicContact CD2-CD1 3.53Å; L536-L572 HydrophobicContact CG-CD1 4.47Å
537	I	97.9	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-41.3	171.4	-59.9	160.4	0	0	0	109.7	V322 E325 K326 A336 E533 L539 M540 D541 H551 I555	V322-I537 HydrophobicContact CG1-CG2 4.04Å; E325-I537 HydrophobicContact CB-CD1 3.76Å; K326-I537 HydrophobicContact CD-CG2 4.44Å; K326-I537 HydrophobicContact CG-CB 4.18Å; K326-I537 HydrophobicContact CG-CD1 4.49Å; K326-I537 HydrophobicContact CG-CG2 4.09Å; A336-I537 HydrophobicContact CB-CD1 4.02Å; E533-I537 HydrophobicContact CG-CD1 4.28Å; E533-I537 WeakPolarHBondContact O-CD1 3.12Å; E533-I537 VanDerWaalsContact O-CG1 3.24Å; E533-I537 WeakPolarHBondContact O-CG1 3.25Å; E533-I537 PolarHBondContact O-N 3.49Å; I537-L539 PolarHBondContact O-N 3.24Å; I537-M540 PolarHBondContact O-N 3.37Å; I537-D541 WeakPolarHBondContact O-CB 3.32Å; I537-D541 PolarHBondContact O-N 2.73Å; I537-H551 HydrophobicContact CG1-CB 4.41Å; I537-H551 HydrophobicContact CG2-CB 4.3Å; I537-I555 HydrophobicContact CD1-CD1 4.32Å; I537-I555 HydrophobicContact CG1-CD1 3.41Å; I537-I555 VanDerWaalsContact CG1-CD1 3.41Å
538	S	97.2	Very high	95.7	Very high	32 Å²	32	35.5 Å²	35.5	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-69.9	-11.2	178	-58.1	0	0	0	0	115.2	K326 A534 D535 L536 R542	K326-S538 WeakPolarHBondContact CD-OG 3.42Å; K326-S538 WeakPolarHBondContact CE-OG 3.48Å; K326-S538 PolarHBondContact NZ-OG 2.97Å; A534-S538 WeakPolarHBondContact O-CB 3.31Å; A534-S538 PolarHBondContact O-N 3.05Å; A534-S538 VanDerWaalsContact O-N 3.1Å; A534-S538 PolarHBondContact O-OG 3.16Å; D535-S538 CarbonylContact O-C 3.43Å; D535-S538 WeakPolarHBondContact O-CB 3.41Å; D535-S538 PolarHBondContact O-N 3.24Å; L536-S538 PolarHBondContact O-N 2.93Å; S538-R542 WeakPolarHBondContact O-CB 3.44Å
539	L	97.5	Very high	95.5	Very high	24 Å²	24	34 Å²	34	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-91.9	-46.6	168.4	-71.2	173	0	0	0	110.8	F243 L531 D535 L536 I537 R542 H543	F243-L539 HydrophobicContact CB-CD1 4.04Å; F243-L539 HydrophobicContact CD1-CB 4.2Å; F243-L539 HydrophobicContact CD1-CD1 4.09Å; F243-L539 HydrophobicContact CD2-CB 4.05Å; F243-L539 HydrophobicContact CE1-CB 4.21Å; F243-L539 HydrophobicContact CE2-CB 4.05Å; F243-L539 HydrophobicContact CG-CB 4.12Å; F243-L539 HydrophobicContact CG-CD1 4.08Å; F243-L539 HydrophobicContact CZ-CB 4.14Å; L531-L539 HydrophobicContact CD1-CD1 3.78Å; L531-L539 HydrophobicContact CD2-CD1 3.78Å; L531-L539 HydrophobicContact CG-CD1 4.48Å; D535-L539 PolarHBondContact O-N 3.13Å; L536-L539 PolarHBondContact O-N 3.06Å; I537-L539 PolarHBondContact O-N 3.24Å; L539-R542 PolarHBondContact O-N 2.88Å; L539-H543 WeakPolarHBondContact O-CB 3.31Å; L539-H543 PolarHBondContact O-CD2 2.79Å; L539-H543 VanDerWaalsContact O-CD2 3.23Å; L539-H543 PolarHBondContact O-N 3.21Å
540	M	98	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56	-53.1	177	-68.9	179.7	72.6	0	0	112.1	T240 F243 L536 I537 R542 H543 G544 I545 H551 H554 I555	T240-M540 HydrophobicContact CG2-CE 4.17Å; T240-M540 HydrophobicContact CG2-SD 3.63Å; T240-M540 WeakPolarHBondContact OG1-CE 3.44Å; F243-M540 HydrophobicContact CD2-CG 4.31Å; F243-M540 HydrophobicContact CE2-CG 4.1Å; L536-M540 HydrophobicContact CD1-CG 4.39Å; L536-M540 HydrophobicContact CG-SD 4.38Å; L536-M540 WeakPolarHBondContact O-CG 3.14Å; L536-M540 PolarHBondContact O-N 2.79Å; I537-M540 PolarHBondContact O-N 3.37Å; M540-R542 PolarHBondContact O-N 3.3Å; M540-H543 CarbonylContact O-C 3.58Å; M540-H543 PolarHBondContact O-N 3.31Å; M540-H543 VanDerWaalsContact O-N 3.12Å; M540-G544 PolarHBondContact O-N 3.21Å; M540-I545 CarbonylContact C-O 3.55Å; M540-I545 HydrophobicContact CB-CG1 4.03Å; M540-I545 WeakPolarHBondContact CB-O 3.49Å; M540-I545 HydrophobicContact CE-CG1 4.4Å; M540-I545 HydrophobicContact CG-CD1 4.31Å; M540-I545 HydrophobicContact CG-CG1 4.13Å; M540-I545 PolarHBondContact O-N 3.05Å; M540-H551 VanDerWaalsContact CB-CD2 3.46Å; M540-H551 WeakPolarHBondContact CB-CD2 3.35Å; M540-H554 HydrophobicContact CE-CB 4.07Å; M540-I555 HydrophobicContact SD-CD1 3.91Å; M540-I555 HydrophobicContact SD-CG1 3.81Å
541	D	95.7	Very high	95.4	Very high	76 Å²	76	30.4 Å²	30.4	41%	0.406	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-50.5	171.9	169.1	32.5	0	0	0	112.2	V322 K326 I537 H543 G544 H551	V322-D541 HydrophobicContact CG1-CB 4.19Å; K326-D541 IonicContact NZ-OD2 3.17Å; K326-D541 PolarHBondContact NZ-OD2 3.2Å; I537-D541 WeakPolarHBondContact O-CB 3.32Å; I537-D541 PolarHBondContact O-N 2.73Å; D541-H543 VanDerWaalsContact C-N 3.32Å; D541-H543 PolarHBondContact O-N 3.05Å; D541-G544 PolarHBondContact O-N 3.25Å; D541-H551 PolarHBondContact N-NE2 3.41Å
542	R	96.5	Very high	95.3	Very high	177 Å²	177	30.6 Å²	30.6	67%	0.668	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.5	179.3	-178.6	-171.3	-53.7	168.7	6.6	113.3	S538 L539 M540	S538-R542 WeakPolarHBondContact O-CB 3.44Å; L539-R542 PolarHBondContact O-N 2.88Å; M540-R542 PolarHBondContact O-N 3.3Å
543	H	97	Very high	95.2	Very high	77 Å²	77	35.4 Å²	35.4	36%	0.356	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	6.7	-178.4	-75.7	-83.2	0	0	0	113	F243 L539 M540 D541 I545 P595 S599	F243-H543 AromaticContact CE1-CD2 3.66Å; F243-H543 HydrophobicContact CZ-CB 3.87Å; F243-H543 AromaticContact CZ-CD2 3.54Å; F243-H543 AromaticContact CZ-CG 3.76Å; L539-H543 WeakPolarHBondContact O-CB 3.31Å; L539-H543 PolarHBondContact O-CD2 2.79Å; L539-H543 VanDerWaalsContact O-CD2 3.23Å; L539-H543 PolarHBondContact O-N 3.21Å; M540-H543 CarbonylContact O-C 3.58Å; M540-H543 PolarHBondContact O-N 3.31Å; M540-H543 VanDerWaalsContact O-N 3.12Å; D541-H543 VanDerWaalsContact C-N 3.32Å; D541-H543 PolarHBondContact O-N 3.05Å; H543-I545 PolarHBondContact O-N 2.82Å; H543-P595 HydrophobicContact CB-CB 3.88Å; H543-P595 HydrophobicContact CB-CG 3.66Å; H543-S599 WeakPolarHBondContact O-CB 3.49Å; H543-S599 PolarHBondContact O-OG 3.42Å; H543-S599 VanDerWaalsContact O-OG 3.05Å
544	G	96	Very high	95.2	Very high	24 Å²	24	35.9 Å²	35.9	25%	0.247	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	48.4	176.8	0	0	0	0	0	113	M540 D541 S599	M540-G544 PolarHBondContact O-N 3.21Å; D541-G544 PolarHBondContact O-N 3.25Å; G544-S599 VanDerWaalsContact O-CA 3.25Å; G544-S599 WeakPolarHBondContact O-CA 3.45Å; G544-S599 VanDerWaalsContact O-CB 3.29Å; G544-S599 WeakPolarHBondContact O-CB 3.39Å; G544-S599 PolarHBondContact O-OG 3.21Å
545	I	96.8	Very high	95.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.184	C	C	.	.			trans	-128.1	146.7	168	67	165.4	0	0	0	110.1	P239 F243 M540 H543 H551 P595 R598 E602	P239-I545 HydrophobicContact CB-CD1 4.02Å; P239-I545 HydrophobicContact CG-CD1 3.92Å; F243-I545 HydrophobicContact CE2-CD1 3.99Å; F243-I545 HydrophobicContact CE2-CG1 4.49Å; M540-I545 CarbonylContact C-O 3.55Å; M540-I545 HydrophobicContact CB-CG1 4.03Å; M540-I545 WeakPolarHBondContact CB-O 3.49Å; M540-I545 HydrophobicContact CE-CG1 4.4Å; M540-I545 HydrophobicContact CG-CD1 4.31Å; M540-I545 HydrophobicContact CG-CG1 4.13Å; M540-I545 PolarHBondContact O-N 3.05Å; H543-I545 PolarHBondContact O-N 2.82Å; I545-H551 PolarHBondContact O-NE2 3.28Å; I545-P595 HydrophobicContact CD1-CB 3.99Å; I545-P595 HydrophobicContact CG1-CB 4.34Å; I545-P595 HydrophobicContact CG2-CB 3.78Å; I545-R598 HydrophobicContact CB-CG 4.2Å; I545-R598 HydrophobicContact CG2-CB 3.89Å; I545-R598 HydrophobicContact CG2-CG 3.91Å; I545-E602 VanDerWaalsContact C-OE2 3.28Å; I545-E602 VanDerWaalsContact CA-OE2 3.24Å; I545-E602 WeakPolarHBondContact CA-OE2 3.47Å
546	G	94.1	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	78	28.2	-173.1	0	0	0	0	0	114.2	T550 H551 E602	G546-T550 WeakPolarHBondContact CA-OG1 3.47Å; G546-T550 PolarHBondContact O-N 3.4Å; G546-T550 PolarHBondContact O-OG1 2.9Å; G546-T550 VanDerWaalsContact O-OG1 3.14Å; G546-H551 PolarHBondContact O-CE1 3.31Å; G546-H551 PolarHBondContact O-N 3.13Å; G546-H551 PolarHBondContact O-ND1 2.62Å; G546-E602 VanDerWaalsContact N-CD 3.3Å; G546-E602 PolarHBondContact N-OE1 2.95Å; G546-E602 PolarHBondContact N-OE2 2.97Å
547	T	91.1	Very high	95	Very high	38 Å²	38	36.4 Å²	36.4	23%	0.233	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	173.3	176.8	67.7	0	0	0	0	112.5	A549 T550 E602	T547-A549 VanDerWaalsContact C-N 3.25Å; T547-A549 PolarHBondContact O-N 2.95Å; T547-T550 PolarHBondContact O-N 2.56Å; T547-T550 PolarHBondContact O-OG1 3.27Å; T547-E602 WeakPolarHBondContact CG2-OE2 3.11Å; T547-E602 PolarHBondContact N-OE2 3.31Å; T547-E602 PolarHBondContact OG1-OE2 3.04Å
548	D	85.9	Confident	94.9	Very high	52 Å²	52	36.4 Å²	36.4	28%	0.278	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	38.4	176.1	-54.1	-73.7	0	0	0	112.9	R143 T550	R143-D548 IonicContact CZ-OD1 3.31Å; R143-D548 IonicContact CZ-OD2 2.71Å; R143-D548 IonicContact NE-OD1 2.76Å; R143-D548 PolarHBondContact NE-OD1 2.88Å; R143-D548 VanDerWaalsContact NE-OD1 3.15Å; R143-D548 IonicContact NE-OD2 3.26Å; R143-D548 IonicContact NH1-OD1 2.88Å; R143-D548 IonicContact NH1-OD2 2.61Å; R143-D548 PolarHBondContact NH1-OD2 2.76Å; R143-D548 IonicContact NH2-OD1 3.49Å; R143-D548 PolarHBondContact NH2-OD1 3.37Å; R143-D548 IonicContact NH2-OD2 2.68Å; R143-D548 PolarHBondContact NH2-OD2 2.91Å; D548-T550 PolarHBondContact O-N 3.42Å
549	A	88.1	Confident	94.8	Very high	12 Å²	12	36.5 Å²	36.5	10%	0.099	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	33.7	179.1	0	0	0	0	0	115.7	T321 R356 T547	T321-A549 HydrophobicContact CG2-CB 3.86Å; R356-A549 HydrophobicContact CB-CB 3.92Å; R356-A549 HydrophobicContact CG-CB 3.98Å; T547-A549 VanDerWaalsContact C-N 3.25Å; T547-A549 PolarHBondContact O-N 2.95Å
550	T	92.6	Very high	94.5	Very high	24 Å²	24	40.1 Å²	40.1	15%	0.147	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-7.5	179.3	58	0	0	0	0	115	G546 T547 D548 A552 E553 H554	G546-T550 WeakPolarHBondContact CA-OG1 3.47Å; G546-T550 PolarHBondContact O-N 3.4Å; G546-T550 PolarHBondContact O-OG1 2.9Å; G546-T550 VanDerWaalsContact O-OG1 3.14Å; T547-T550 PolarHBondContact O-N 2.56Å; T547-T550 PolarHBondContact O-OG1 3.27Å; D548-T550 PolarHBondContact O-N 3.42Å; T550-A552 PolarHBondContact O-N 3.17Å; T550-E553 WeakPolarHBondContact O-CB 3.17Å; T550-E553 PolarHBondContact O-N 2.98Å; T550-H554 PolarHBondContact O-N 3.45Å
551	H	96.1	Very high	94.2	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.032	21%	0.213	C	C	.	.	H	α-helix	trans	-41.9	-55.5	176.1	-66.2	116.9	0	0	0	114.3	I537 M540 D541 I545 G546 E553 H554 I555	I537-H551 HydrophobicContact CG1-CB 4.41Å; I537-H551 HydrophobicContact CG2-CB 4.3Å; M540-H551 VanDerWaalsContact CB-CD2 3.46Å; M540-H551 WeakPolarHBondContact CB-CD2 3.35Å; D541-H551 PolarHBondContact N-NE2 3.41Å; I545-H551 PolarHBondContact O-NE2 3.28Å; G546-H551 PolarHBondContact O-CE1 3.31Å; G546-H551 PolarHBondContact O-N 3.13Å; G546-H551 PolarHBondContact O-ND1 2.62Å; H551-E553 VanDerWaalsContact C-N 3.26Å; H551-E553 PolarHBondContact O-N 3.33Å; H551-H554 PolarHBondContact O-N 3.03Å; H551-I555 VanDerWaalsContact O-CG1 3.31Å; H551-I555 WeakPolarHBondContact O-CG1 3.43Å; H551-I555 PolarHBondContact O-N 3.07Å; H551-I555 VanDerWaalsContact O-N 3.07Å
552	A	95.1	Very high	94	Very high	8 Å²	8	44.2 Å²	44.2	7%	0.066	22%	0.216	C	C	.	.	H	α-helix	trans	-56.7	-33.4	179.6	0	0	0	0	0	114.4	E325 A336 K337 T550 E556	E325-A552 VanDerWaalsContact OE1-CB 3.22Å; E325-A552 WeakPolarHBondContact OE1-CB 3.47Å; A336-A552 HydrophobicContact CB-CB 3.84Å; K337-A552 HydrophobicContact CB-CB 4.12Å; T550-A552 PolarHBondContact O-N 3.17Å; A552-E556 WeakPolarHBondContact O-CB 3.32Å; A552-E556 PolarHBondContact O-N 3.19Å
553	E	94.6	Very high	93.9	Very high	115 Å²	115	36 Å²	36	54%	0.537	18%	0.184	S	C	.	.	H	α-helix	trans	-73.9	-44.8	-178.2	-172.7	178.6	162.9	0	0	111.4	T550 H551 E556 T557	T550-E553 WeakPolarHBondContact O-CB 3.17Å; T550-E553 PolarHBondContact O-N 2.98Å; H551-E553 VanDerWaalsContact C-N 3.26Å; H551-E553 PolarHBondContact O-N 3.33Å; E553-E556 PolarHBondContact O-N 3.46Å; E553-T557 WeakPolarHBondContact O-CB 3.43Å; E553-T557 PolarHBondContact O-N 2.91Å; E553-T557 PolarHBondContact O-OG1 2.97Å
554	H	96.2	Very high	93.9	Very high	21 Å²	21	32.5 Å²	32.5	10%	0.097	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-38.7	179.5	-60.4	-31.4	0	0	0	111.8	C236 M540 T550 H551 T557 I558	C236-H554 PolarHBondContact SG-CD2 3.11Å; M540-H554 HydrophobicContact CE-CB 4.07Å; T550-H554 PolarHBondContact O-N 3.45Å; H551-H554 PolarHBondContact O-N 3.03Å; H554-T557 PolarHBondContact O-N 3.41Å; H554-I558 PolarHBondContact O-N 3.34Å
555	I	97.2	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-42.5	174	-65.8	172.6	0	0	0	111.2	T240 E533 L536 I537 M540 H551 T557 I558 K559	T240-I555 HydrophobicContact CG2-CG1 3.98Å; E533-I555 HydrophobicContact CG-CG2 4.12Å; L536-I555 HydrophobicContact CB-CD1 4.5Å; L536-I555 HydrophobicContact CD2-CD1 4.15Å; L536-I555 HydrophobicContact CD2-CG1 3.83Å; L536-I555 HydrophobicContact CD2-CG2 4.37Å; L536-I555 HydrophobicContact CG-CD1 4.09Å; L536-I555 HydrophobicContact CG-CG1 4.18Å; I537-I555 HydrophobicContact CD1-CD1 4.32Å; I537-I555 HydrophobicContact CG1-CD1 3.41Å; I537-I555 VanDerWaalsContact CG1-CD1 3.41Å; M540-I555 HydrophobicContact SD-CD1 3.91Å; M540-I555 HydrophobicContact SD-CG1 3.81Å; H551-I555 VanDerWaalsContact O-CG1 3.31Å; H551-I555 WeakPolarHBondContact O-CG1 3.43Å; H551-I555 PolarHBondContact O-N 3.07Å; H551-I555 VanDerWaalsContact O-N 3.07Å; I555-T557 VanDerWaalsContact C-N 3.31Å; I555-T557 PolarHBondContact O-N 2.93Å; I555-I558 WeakPolarHBondContact O-CG1 3.38Å; I555-K559 WeakPolarHBondContact O-CG 3.3Å; I555-K559 PolarHBondContact O-N 3.33Å
556	E	96	Very high	93.4	Very high	43 Å²	43	34.5 Å²	34.5	20%	0.201	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-40.1	173.2	-178.7	73.2	170.7	0	0	111.5	K337 A552 E553 I558 K559 Q560	K337-E556 HydrophobicContact CB-CB 4.46Å; K337-E556 HydrophobicContact CD-CB 3.71Å; K337-E556 HydrophobicContact CD-CG 3.47Å; K337-E556 VanDerWaalsContact CD-CG 3.47Å; A552-E556 WeakPolarHBondContact O-CB 3.32Å; A552-E556 PolarHBondContact O-N 3.19Å; E553-E556 PolarHBondContact O-N 3.46Å; E556-I558 VanDerWaalsContact C-N 3.34Å; E556-I558 PolarHBondContact O-N 3.12Å; E556-K559 WeakPolarHBondContact O-CB 3.47Å; E556-K559 PolarHBondContact O-N 2.99Å; E556-K559 VanDerWaalsContact O-N 3.12Å; E556-Q560 HydrophobicContact CG-CG 3.88Å; E556-Q560 VanDerWaalsContact CG-NE2 3.34Å; E556-Q560 WeakPolarHBondContact O-CG 3.43Å; E556-Q560 PolarHBondContact O-N 2.76Å; E556-Q560 PolarHBondContact OE1-NE2 2.93Å
557	T	94.8	Very high	93.1	Very high	33 Å²	33	38 Å²	38	20%	0.202	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-42.5	-178.1	-57.5	0	0	0	0	111.4	Q237 E553 H554 I555 K559 Q560 R561	Q237-T557 HydrophobicContact CG-CG2 3.9Å; E553-T557 WeakPolarHBondContact O-CB 3.43Å; E553-T557 PolarHBondContact O-N 2.91Å; E553-T557 PolarHBondContact O-OG1 2.97Å; H554-T557 PolarHBondContact O-N 3.41Å; I555-T557 VanDerWaalsContact C-N 3.31Å; I555-T557 PolarHBondContact O-N 2.93Å; T557-K559 VanDerWaalsContact C-N 3.34Å; T557-K559 PolarHBondContact O-N 2.66Å; T557-Q560 PolarHBondContact O-N 3.35Å; T557-R561 HydrophobicContact CG2-CG 4.45Å; T557-R561 WeakPolarHBondContact O-CG 3.47Å; T557-R561 PolarHBondContact O-N 3.33Å
558	I	96.9	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-30.2	176.9	59.7	165.8	0	0	0	113.3	Q237 T240 L241 V244 L536 H554 I555 E556 Y563 V564	Q237-I558 HydrophobicContact CG-CG2 3.56Å; Q237-I558 WeakPolarHBondContact O-CG2 3.38Å; T240-I558 HydrophobicContact CG2-CD1 3.97Å; L241-I558 HydrophobicContact CB-CG2 4.08Å; V244-I558 HydrophobicContact CG2-CD1 4.41Å; L536-I558 HydrophobicContact CD2-CD1 4.19Å; H554-I558 PolarHBondContact O-N 3.34Å; I555-I558 WeakPolarHBondContact O-CG1 3.38Å; E556-I558 VanDerWaalsContact C-N 3.34Å; E556-I558 PolarHBondContact O-N 3.12Å; I558-Y563 PolarHBondContact O-N 3.41Å; I558-V564 HydrophobicContact CB-CG2 4.18Å; I558-V564 HydrophobicContact CD1-CG1 3.96Å; I558-V564 HydrophobicContact CD1-CG2 3.76Å; I558-V564 HydrophobicContact CG1-CG2 3.75Å; I558-V564 PolarHBondContact O-N 2.86Å
559	K	93.9	Very high	92.9	Very high	34 Å²	34	47.2 Å²	47.2	15%	0.148	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-51.7	171	-64.7	166.5	177.7	170.8	0	110.8	E533 I555 E556 T557 R561 L562 V564	E533-K559 IonicContact OE1-NZ 3.64Å; E533-K559 PolarHBondContact OE1-NZ 3.49Å; E533-K559 IonicContact OE2-NZ 3.28Å; E533-K559 PolarHBondContact OE2-NZ 2.83Å; I555-K559 WeakPolarHBondContact O-CG 3.3Å; I555-K559 PolarHBondContact O-N 3.33Å; E556-K559 WeakPolarHBondContact O-CB 3.47Å; E556-K559 PolarHBondContact O-N 2.99Å; E556-K559 VanDerWaalsContact O-N 3.12Å; T557-K559 VanDerWaalsContact C-N 3.34Å; T557-K559 PolarHBondContact O-N 2.66Å; K559-R561 PolarHBondContact O-N 3.37Å; K559-L562 PolarHBondContact O-N 3.36Å; K559-V564 HydrophobicContact CG-CG2 3.96Å
560	Q	92.6	Very high	93	Very high	101 Å²	101	52.1 Å²	52.1	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-24.4	-177.7	-70.3	-171.5	0.4	0	0	113.6	E556 T557 L562	E556-Q560 HydrophobicContact CG-CG 3.88Å; E556-Q560 VanDerWaalsContact CG-NE2 3.34Å; E556-Q560 WeakPolarHBondContact O-CG 3.43Å; E556-Q560 PolarHBondContact O-N 2.76Å; E556-Q560 PolarHBondContact OE1-NE2 2.93Å; T557-Q560 PolarHBondContact O-N 3.35Å; Q560-L562 VanDerWaalsContact C-N 3.32Å
561	R	90.5	Very high	93	Very high	75 Å²	75	52.6 Å²	52.6	28%	0.283	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.7	172	-61.3	-43	-174.8	108.2	2.4	114.7	L230 S232 T557 K559 Y563	L230-R561 VanDerWaalsContact CG-NH1 3.34Å; L230-R561 PolarHBondContact O-NH1 3.03Å; S232-R561 PolarHBondContact OG-NH1 3.06Å; T557-R561 HydrophobicContact CG2-CG 4.45Å; T557-R561 WeakPolarHBondContact O-CG 3.47Å; T557-R561 PolarHBondContact O-N 3.33Å; K559-R561 PolarHBondContact O-N 3.37Å; R561-Y563 HydrophobicContact CB-CD1 3.94Å; R561-Y563 HydrophobicContact CB-CD2 4.12Å; R561-Y563 HydrophobicContact CB-CE1 3.94Å; R561-Y563 HydrophobicContact CB-CE2 4.15Å; R561-Y563 HydrophobicContact CB-CG 4.04Å; R561-Y563 VanDerWaalsContact O-CD1 3.32Å; R561-Y563 WeakPolarHBondContact O-CD1 3.45Å; R561-Y563 PolarHBondContact O-N 2.84Å
562	L	91.6	Very high	93	Very high	87 Å²	87	52.3 Å²	52.3	46%	0.455	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	26.7	-175.8	-50.6	177.9	0	0	0	112.9	K559 Q560	K559-L562 PolarHBondContact O-N 3.36Å; Q560-L562 VanDerWaalsContact C-N 3.32Å
563	Y	95.7	Very high	93.1	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.012	25%	0.253	C	S	.	.	S	Bend	trans	-78.5	-27.4	173	-64.2	-9.6	0	0	0	111.1	I231 S232 Q237 L241 I558 R561 P574 G575 L577 L581	I231-Y563 WeakPolarHBondContact CA-OH 3.41Å; I231-Y563 WeakPolarHBondContact CG2-OH 3.33Å; S232-Y563 PolarHBondContact N-OH 3.37Å; S232-Y563 WeakPolarHBondContact O-CE2 3.33Å; S232-Y563 PolarHBondContact O-OH 2.95Å; Q237-Y563 VanDerWaalsContact NE2-CE2 3.25Å; L241-Y563 HydrophobicContact CD2-CD2 3.8Å; L241-Y563 HydrophobicContact CD2-CG 4.15Å; I558-Y563 PolarHBondContact O-N 3.41Å; R561-Y563 HydrophobicContact CB-CD1 3.94Å; R561-Y563 HydrophobicContact CB-CD2 4.12Å; R561-Y563 HydrophobicContact CB-CE1 3.94Å; R561-Y563 HydrophobicContact CB-CE2 4.15Å; R561-Y563 HydrophobicContact CB-CG 4.04Å; R561-Y563 VanDerWaalsContact O-CD1 3.32Å; R561-Y563 WeakPolarHBondContact O-CD1 3.45Å; R561-Y563 PolarHBondContact O-N 2.84Å; Y563-P574 WeakPolarHBondContact O-CA 3.11Å; Y563-G575 PolarHBondContact O-N 2.83Å; Y563-L577 HydrophobicContact CD1-CD2 4.21Å; Y563-L577 HydrophobicContact CD1-CG 4.35Å; Y563-L577 HydrophobicContact CE1-CD2 3.79Å; Y563-L577 HydrophobicContact CE1-CG 4.11Å; Y563-L581 HydrophobicContact CD1-CD1 4.39Å; Y563-L581 HydrophobicContact CE1-CD1 3.81Å; Y563-L581 HydrophobicContact CE2-CD1 4.14Å
564	V	95.6	Very high	93.1	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.2	168.1	-58.9	0	0	0	0	111	L241 V244 I558 K559 L572 V573	L241-V564 HydrophobicContact CD1-CG1 3.67Å; V244-V564 HydrophobicContact CB-CG1 4.1Å; V244-V564 HydrophobicContact CG1-CG1 3.74Å; V244-V564 HydrophobicContact CG2-CG1 4.26Å; I558-V564 HydrophobicContact CB-CG2 4.18Å; I558-V564 HydrophobicContact CD1-CG1 3.96Å; I558-V564 HydrophobicContact CD1-CG2 3.76Å; I558-V564 HydrophobicContact CG1-CG2 3.75Å; I558-V564 PolarHBondContact O-N 2.86Å; K559-V564 HydrophobicContact CG-CG2 3.96Å; V564-L572 HydrophobicContact CG2-CD2 4.04Å; V564-V573 CarbonylContact C-O 3.59Å; V564-V573 WeakPolarHBondContact CA-O 3.34Å
565	G	91.1	Very high	92.9	Very high	15 Å²	15	46.4 Å²	46.4	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	176.5	165.4	0	0	0	0	0	111.7	V573	G565-V573 PolarHBondContact N-O 2.73Å; G565-V573 PolarHBondContact O-N 3.45Å
566	L	91.2	Very high	92.7	Very high	51 Å²	51	49.2 Å²	49.2	27%	0.267	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	106.2	174.5	-75.4	170.8	0	0	0	110.8	F571 L572	L566-F571 CarbonylContact C-O 3.59Å; L566-F571 WeakPolarHBondContact CA-O 3.43Å; L566-L572 HydrophobicContact CD2-CD2 3.67Å; L566-L572 HydrophobicContact CD2-CG 4.32Å
567	E	88.9	Confident	92.6	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.4	166.1	176.4	-177.2	-151.8	0	0	109.8	L530 N569 K570 F571 V573	L530-E567 WeakPolarHBondContact CD1-OE2 3.42Å; E567-N569 PolarHBondContact O-N 3.27Å; E567-K570 PolarHBondContact O-N 3.5Å; E567-F571 HydrophobicContact CB-CB 4.32Å; E567-F571 PolarHBondContact N-O 3.38Å; E567-F571 PolarHBondContact O-N 3.38Å; E567-V573 HydrophobicContact CB-CG2 3.75Å
568	Q	87	Confident	92.6	Very high	142 Å²	142	46 Å²	46	66%	0.664	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	28.8	178.6	-64.4	163.7	37.2	0	0	113.2	K570	Q568-K570 PolarHBondContact O-N 3Å; Q568-K570 VanDerWaalsContact O-N 3.15Å
569	N	85.1	Confident	92.5	Very high	141 Å²	141	46.1 Å²	46.1	75%	0.754	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	27.5	-172.1	-64	-12.8	0	0	0	114.3	E567	E567-N569 PolarHBondContact O-N 3.27Å
570	K	89.3	Confident	92.6	Very high	115 Å²	115	44.5 Å²	44.5	50%	0.5	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.8	-43.7	-168.3	175.6	179.2	172.1	-172.7	0	115	T532 E567 Q568	T532-K570 HydrophobicContact CG2-CD 4.42Å; T532-K570 HydrophobicContact CG2-CG 3.89Å; E567-K570 PolarHBondContact O-N 3.5Å; Q568-K570 PolarHBondContact O-N 3Å; Q568-K570 VanDerWaalsContact O-N 3.15Å
571	F	94.6	Very high	92.8	Very high	34 Å²	34	39.7 Å²	39.7	15%	0.149	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132	-171.7	-65.2	-67	0	0	0	110.7	L530 T532 L566 E567 V573	L530-F571 HydrophobicContact CB-CB 3.93Å; L530-F571 HydrophobicContact CB-CD1 4Å; L530-F571 HydrophobicContact CB-CG 4.17Å; L530-F571 HydrophobicContact CD1-CB 4.29Å; L530-F571 VanDerWaalsContact O-CD1 3.3Å; L530-F571 WeakPolarHBondContact O-CD1 3.33Å; T532-F571 HydrophobicContact CG2-CD1 3.93Å; T532-F571 HydrophobicContact CG2-CE1 3.89Å; L566-F571 CarbonylContact C-O 3.59Å; L566-F571 WeakPolarHBondContact CA-O 3.43Å; E567-F571 HydrophobicContact CB-CB 4.32Å; E567-F571 PolarHBondContact N-O 3.38Å; E567-F571 PolarHBondContact O-N 3.38Å; F571-V573 PolarHBondContact O-N 2.84Å
572	L	95.5	Very high	93.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.6	178.4	-64.4	166.3	0	0	0	109.2	V244 L531 L536 V564 L566	V244-L572 HydrophobicContact CG1-CB 3.95Å; V244-L572 WeakPolarHBondContact CG1-O 3.48Å; V244-L572 HydrophobicContact CG2-CB 4.12Å; V244-L572 HydrophobicContact CG2-CD1 4.3Å; L531-L572 PolarHBondContact O-N 2.86Å; L536-L572 HydrophobicContact CB-CD1 4.07Å; L536-L572 HydrophobicContact CD2-CD1 3.53Å; L536-L572 HydrophobicContact CG-CD1 4.47Å; V564-L572 HydrophobicContact CG2-CD2 4.04Å; L566-L572 HydrophobicContact CD2-CD2 3.67Å; L566-L572 HydrophobicContact CD2-CG 4.32Å
573	V	96.1	Very high	93.2	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.8	179.2	170.9	0	0	0	0	108.5	F248 L530 V564 G565 E567 F571	F248-V573 HydrophobicContact CD2-CG1 4.27Å; F248-V573 HydrophobicContact CE2-CG1 3.97Å; L530-V573 HydrophobicContact CD1-CG2 3.78Å; V564-V573 CarbonylContact C-O 3.59Å; V564-V573 WeakPolarHBondContact CA-O 3.34Å; G565-V573 PolarHBondContact N-O 2.73Å; G565-V573 PolarHBondContact O-N 3.45Å; E567-V573 HydrophobicContact CB-CG2 3.75Å; F571-V573 PolarHBondContact O-N 2.84Å
574	P	95.8	Very high	93.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.3	176.5	30.3	-33.4	0	0	0	111.1	V245 F248 Y563 M579	V245-P574 HydrophobicContact CG2-CB 3.78Å; V245-P574 HydrophobicContact CG2-CG 4.29Å; F248-P574 HydrophobicContact CB-CG 3.69Å; F248-P574 HydrophobicContact CD1-CG 4.18Å; F248-P574 VanDerWaalsContact CD2-CD 3.48Å; F248-P574 HydrophobicContact CD2-CG 3.94Å; F248-P574 HydrophobicContact CG-CG 3.66Å; Y563-P574 WeakPolarHBondContact O-CA 3.11Å; P574-M579 HydrophobicContact CB-CB 4.4Å; P574-M579 HydrophobicContact CB-CE 4.47Å; P574-M579 HydrophobicContact CG-CE 3.71Å
575	G	91.6	Very high	93.2	Very high	12 Å²	12	33.2 Å²	33.2	12%	0.124	17%	0.167	C	C	.	.			trans	-73.1	163.1	166.8	0	0	0	0	0	111.1	Y563 L577 G578 M579	Y563-G575 PolarHBondContact O-N 2.83Å; G575-L577 VanDerWaalsContact C-N 3.29Å; G575-L577 PolarHBondContact O-N 2.76Å; G575-G578 PolarHBondContact O-N 2.69Å; G575-M579 WeakPolarHBondContact O-CB 3.44Å; G575-M579 PolarHBondContact O-N 2.87Å
576	Q	92.8	Very high	93.3	Very high	60 Å²	60	34.7 Å²	34.7	28%	0.28	17%	0.171	S	C	.	.	H	α-helix	trans	-51.5	-45.3	179.4	-74.1	169.2	-39.1	0	0	112.9	G580 R647 L648 P1128 W1130	Q576-G580 PolarHBondContact O-N 3.49Å; Q576-R647 HydrophobicContact CB-CB 4.39Å; Q576-R647 VanDerWaalsContact CB-O 3.25Å; Q576-R647 WeakPolarHBondContact CB-O 3.21Å; Q576-R647 WeakPolarHBondContact CG-O 3.25Å; Q576-R647 PolarHBondContact NE2-O 3.21Å; Q576-R647 VanDerWaalsContact NE2-O 3.11Å; Q576-L648 HydrophobicContact CB-CD2 4.17Å; Q576-P1128 HydrophobicContact CG-CG 4.18Å; Q576-W1130 HydrophobicContact CG-CH2 4.35Å; Q576-W1130 HydrophobicContact CG-CZ2 4.32Å
577	L	93.5	Very high	93.4	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-47.6	174.6	177.9	62.7	0	0	0	112.2	L226 Q229 I231 Y563 G575 M579 G580 L581 L644	L226-L577 HydrophobicContact CD2-CD1 4.31Å; L226-L577 HydrophobicContact CD2-CD2 4.4Å; Q229-L577 HydrophobicContact CG-CD2 4.5Å; I231-L577 HydrophobicContact CD1-CD1 4.47Å; I231-L577 HydrophobicContact CG1-CD2 4.47Å; I231-L577 HydrophobicContact CG2-CD1 4.27Å; I231-L577 HydrophobicContact CG2-CD2 4.48Å; Y563-L577 HydrophobicContact CD1-CD2 4.21Å; Y563-L577 HydrophobicContact CD1-CG 4.35Å; Y563-L577 HydrophobicContact CE1-CD2 3.79Å; Y563-L577 HydrophobicContact CE1-CG 4.11Å; G575-L577 VanDerWaalsContact C-N 3.29Å; G575-L577 PolarHBondContact O-N 2.76Å; L577-M579 VanDerWaalsContact C-N 3.35Å; L577-M579 PolarHBondContact O-N 3.47Å; L577-G580 PolarHBondContact O-N 3.43Å; L577-L581 HydrophobicContact CD1-CD1 4.02Å; L577-L581 HydrophobicContact CD1-CD2 4.44Å; L577-L581 HydrophobicContact CD1-CG 3.99Å; L577-L581 HydrophobicContact CG-CD1 4.01Å; L577-L581 HydrophobicContact CG-CG 4.41Å; L577-L581 WeakPolarHBondContact O-CB 3.5Å; L577-L581 WeakPolarHBondContact O-CG 3.36Å; L577-L581 PolarHBondContact O-N 3.47Å; L577-L644 HydrophobicContact CD1-CD1 4.32Å; L577-L644 HydrophobicContact CD1-CD2 3.74Å
578	G	95.6	Very high	93.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-179.9	0	0	0	0	0	112.8	G575 V582	G575-G578 PolarHBondContact O-N 2.69Å; G578-V582 PolarHBondContact O-N 3.37Å
579	M	94.9	Very high	93.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-62.7	170.1	179.1	62.6	77.4	0	0	110.5	V245 F248 P574 G575 L577 L581 V582 E583 R647	V245-M579 HydrophobicContact CG1-CE 4.26Å; V245-M579 HydrophobicContact CG1-SD 3.61Å; V245-M579 HydrophobicContact CG2-SD 4.41Å; F248-M579 HydrophobicContact CB-CE 4.36Å; F248-M579 HydrophobicContact CD1-CE 3.39Å; F248-M579 HydrophobicContact CE1-CE 3.96Å; F248-M579 HydrophobicContact CG-CE 4.12Å; P574-M579 HydrophobicContact CB-CB 4.4Å; P574-M579 HydrophobicContact CB-CE 4.47Å; P574-M579 HydrophobicContact CG-CE 3.71Å; G575-M579 WeakPolarHBondContact O-CB 3.44Å; G575-M579 PolarHBondContact O-N 2.87Å; L577-M579 VanDerWaalsContact C-N 3.35Å; L577-M579 PolarHBondContact O-N 3.47Å; M579-L581 VanDerWaalsContact C-N 3.27Å; M579-L581 PolarHBondContact O-N 3.27Å; M579-V582 PolarHBondContact O-N 3.08Å; M579-E583 HydrophobicContact CG-CG 3.93Å; M579-E583 WeakPolarHBondContact O-CG 3.33Å; M579-E583 PolarHBondContact O-N 3.42Å; M579-E583 HydrophobicContact SD-CG 3.73Å; M579-R647 HydrophobicContact CG-CG 4.2Å
580	G	95.3	Very high	93.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-30.6	-173	0	0	0	0	0	114.4	Q576 L577 G584 A643	Q576-G580 PolarHBondContact O-N 3.49Å; L577-G580 PolarHBondContact O-N 3.43Å; G580-G584 PolarHBondContact O-N 3.06Å; G580-A643 WeakPolarHBondContact O-CB 3.4Å
581	L	96.4	Very high	92.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-50.3	170.3	-72.3	170.5	0	0	0	111.5	L218 I231 F238 Y563 L577 M579 G584 Y585 L640 L644	L218-L581 HydrophobicContact CD1-CD2 4.06Å; I231-L581 HydrophobicContact CG2-CD1 3.8Å; I231-L581 HydrophobicContact CG2-CD2 4Å; I231-L581 HydrophobicContact CG2-CG 4.48Å; F238-L581 HydrophobicContact CE2-CB 4.28Å; Y563-L581 HydrophobicContact CD1-CD1 4.39Å; Y563-L581 HydrophobicContact CE1-CD1 3.81Å; Y563-L581 HydrophobicContact CE2-CD1 4.14Å; L577-L581 HydrophobicContact CD1-CD1 4.02Å; L577-L581 HydrophobicContact CD1-CD2 4.44Å; L577-L581 HydrophobicContact CD1-CG 3.99Å; L577-L581 HydrophobicContact CG-CD1 4.01Å; L577-L581 HydrophobicContact CG-CG 4.41Å; L577-L581 WeakPolarHBondContact O-CB 3.5Å; L577-L581 WeakPolarHBondContact O-CG 3.36Å; L577-L581 PolarHBondContact O-N 3.47Å; M579-L581 VanDerWaalsContact C-N 3.27Å; M579-L581 PolarHBondContact O-N 3.27Å; L581-G584 PolarHBondContact O-N 3.19Å; L581-Y585 VanDerWaalsContact O-CD2 3.26Å; L581-Y585 WeakPolarHBondContact O-CD2 3.29Å; L581-Y585 PolarHBondContact O-N 2.78Å; L581-L640 HydrophobicContact CD2-CD1 4.01Å; L581-L640 HydrophobicContact CD2-CD2 4.49Å; L581-L644 HydrophobicContact CD2-CD1 4.22Å
582	V	96.6	Very high	92.6	Very high	1 Å²	1	22 Å²	22	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-46.1	177.9	171.7	0	0	0	0	111.1	F238 L241 V245 G578 M579 G584 Y585 D586	F238-V582 HydrophobicContact CE2-CG2 4.25Å; F238-V582 HydrophobicContact CZ-CG2 4.03Å; L241-V582 HydrophobicContact CD2-CG2 3.85Å; L241-V582 HydrophobicContact CG-CG2 3.81Å; V245-V582 HydrophobicContact CB-CB 4.2Å; V245-V582 HydrophobicContact CB-CG1 3.99Å; V245-V582 HydrophobicContact CB-CG2 4.31Å; V245-V582 HydrophobicContact CG1-CB 3.96Å; V245-V582 HydrophobicContact CG1-CG1 3.59Å; V245-V582 HydrophobicContact CG2-CB 4.06Å; V245-V582 HydrophobicContact CG2-CG1 4.41Å; V245-V582 HydrophobicContact CG2-CG2 3.95Å; G578-V582 PolarHBondContact O-N 3.37Å; M579-V582 PolarHBondContact O-N 3.08Å; V582-G584 VanDerWaalsContact C-N 3.3Å; V582-G584 PolarHBondContact O-N 3.48Å; V582-Y585 PolarHBondContact O-N 2.68Å; V582-D586 VanDerWaalsContact O-CB 3.3Å; V582-D586 WeakPolarHBondContact O-CB 3.28Å; V582-D586 PolarHBondContact O-N 2.89Å
583	E	94.5	Very high	92.4	Very high	33 Å²	33	22.1 Å²	22.1	15%	0.154	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-36.7	180	-39.6	-147.6	98.8	0	0	112.3	R249 M579 S587 A643 R647	R249-E583 IonicContact CZ-OE1 2.96Å; R249-E583 VanDerWaalsContact CZ-OE1 3.26Å; R249-E583 IonicContact NE-OE1 2.75Å; R249-E583 PolarHBondContact NE-OE1 2.84Å; R249-E583 IonicContact NH2-OE1 3.95Å; R249-E583 PolarHBondContact NH2-OE1 3.15Å; M579-E583 HydrophobicContact CG-CG 3.93Å; M579-E583 WeakPolarHBondContact O-CG 3.33Å; M579-E583 PolarHBondContact O-N 3.42Å; M579-E583 HydrophobicContact SD-CG 3.73Å; E583-S587 VanDerWaalsContact O-CB 3.3Å; E583-S587 WeakPolarHBondContact O-CB 3.24Å; E583-S587 PolarHBondContact O-N 3.36Å; E583-S587 PolarHBondContact O-OG 2.91Å; E583-A643 HydrophobicContact CB-CB 4.19Å; E583-R647 VanDerWaalsContact CD-NH2 3.3Å; E583-R647 IonicContact OE1-NH2 2.75Å; E583-R647 PolarHBondContact OE1-NH2 3.21Å; E583-R647 IonicContact OE2-CZ 3.41Å; E583-R647 IonicContact OE2-NE 2.69Å; E583-R647 PolarHBondContact OE2-NE 2.87Å; E583-R647 IonicContact OE2-NH2 3.2Å; E583-R647 PolarHBondContact OE2-NH2 2.82Å
584	G	95.2	Very high	92.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-47.5	178.4	0	0	0	0	0	113.1	G580 L581 V582 S587 M588 A643	G580-G584 PolarHBondContact O-N 3.06Å; L581-G584 PolarHBondContact O-N 3.19Å; V582-G584 VanDerWaalsContact C-N 3.3Å; V582-G584 PolarHBondContact O-N 3.48Å; G584-S587 PolarHBondContact O-N 2.73Å; G584-M588 WeakPolarHBondContact O-CG 3.19Å; G584-A643 VanDerWaalsContact CA-CB 3.45Å
585	Y	95.8	Very high	92.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.6	-40.7	175.8	-78	-71.1	0	0	0	112.4	F210 Q214 F238 L581 V582 S587 M588 M592 A633 L640	F210-Y585 HydrophobicContact CD1-CE1 4.37Å; F210-Y585 HydrophobicContact CE1-CE1 4.34Å; Q214-Y585 PolarHBondContact OE1-OH 2.92Å; F238-Y585 HydrophobicContact CE1-CD2 4.32Å; F238-Y585 HydrophobicContact CE1-CG 4.48Å; F238-Y585 AromaticContact CE2-CD2 3.79Å; F238-Y585 HydrophobicContact CE2-CD2 3.79Å; F238-Y585 HydrophobicContact CE2-CE2 4.25Å; F238-Y585 AromaticContact CZ-CD2 3.46Å; F238-Y585 HydrophobicContact CZ-CD2 3.46Å; F238-Y585 VanDerWaalsContact CZ-CD2 3.46Å; F238-Y585 HydrophobicContact CZ-CE2 4.33Å; F238-Y585 AromaticContact CZ-CG 3.98Å; F238-Y585 HydrophobicContact CZ-CG 3.98Å; L581-Y585 VanDerWaalsContact O-CD2 3.26Å; L581-Y585 WeakPolarHBondContact O-CD2 3.29Å; L581-Y585 PolarHBondContact O-N 2.78Å; V582-Y585 PolarHBondContact O-N 2.68Å; Y585-S587 PolarHBondContact O-N 2.73Å; Y585-M588 HydrophobicContact CD1-CE 3.87Å; Y585-M588 HydrophobicContact CD1-SD 3.75Å; Y585-M588 HydrophobicContact CE1-CE 4.17Å; Y585-M588 HydrophobicContact CE1-SD 4.28Å; Y585-M588 HydrophobicContact CG-CE 4.47Å; Y585-M588 WeakPolarHBondContact O-CB 3.42Å; Y585-M588 PolarHBondContact O-N 3.29Å; Y585-M588 VanDerWaalsContact O-N 3.07Å; Y585-M592 HydrophobicContact CD1-SD 3.56Å; Y585-M592 VanDerWaalsContact CD1-SD 3.56Å; Y585-M592 HydrophobicContact CE1-SD 3.86Å; Y585-M592 HydrophobicContact CG-SD 3.93Å; Y585-A633 HydrophobicContact CE1-CB 4.01Å; Y585-L640 HydrophobicContact CD2-CD1 3.81Å; Y585-L640 HydrophobicContact CE2-CD1 3.84Å; Y585-L640 HydrophobicContact CE2-CD2 4.26Å; Y585-L640 HydrophobicContact CG-CD1 4.41Å
586	D	92.7	Very high	92.6	Very high	45 Å²	45	27.6 Å²	27.6	24%	0.241	16%	0.161	C	C	.	.	H	α-helix	trans	-55.6	-38.4	173.6	-74.9	-12.6	0	0	0	111.4	R249 V582 M588 G589 S593	R249-D586 IonicContact CZ-OD2 3.17Å; R249-D586 IonicContact NH1-OD2 2.84Å; R249-D586 PolarHBondContact NH1-OD2 2.74Å; R249-D586 IonicContact NH2-OD2 2.67Å; V582-D586 VanDerWaalsContact O-CB 3.3Å; V582-D586 WeakPolarHBondContact O-CB 3.28Å; V582-D586 PolarHBondContact O-N 2.89Å; D586-M588 PolarHBondContact O-N 3.12Å; D586-G589 PolarHBondContact O-N 2.67Å; D586-S593 VanDerWaalsContact OD1-CB 3.22Å; D586-S593 WeakPolarHBondContact OD1-CB 3.32Å; D586-S593 PolarHBondContact OD1-OG 2.7Å
587	S	93.4	Very high	92.7	Very high	62 Å²	62	26.2 Å²	26.2	43%	0.434	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.8	-179.1	-61.7	0	0	0	0	114.2	E583 G584 Y585 G589	E583-S587 VanDerWaalsContact O-CB 3.3Å; E583-S587 WeakPolarHBondContact O-CB 3.24Å; E583-S587 PolarHBondContact O-N 3.36Å; E583-S587 PolarHBondContact O-OG 2.91Å; G584-S587 PolarHBondContact O-N 2.73Å; Y585-S587 PolarHBondContact O-N 2.73Å; S587-G589 PolarHBondContact O-N 3.23Å
588	M	93.7	Very high	92.8	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.03	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1	175.4	-55	178.4	-172.4	0	0	113.4	G584 Y585 D586 F590 A633 Q636 F639 L640	G584-M588 WeakPolarHBondContact O-CG 3.19Å; Y585-M588 HydrophobicContact CD1-CE 3.87Å; Y585-M588 HydrophobicContact CD1-SD 3.75Å; Y585-M588 HydrophobicContact CE1-CE 4.17Å; Y585-M588 HydrophobicContact CE1-SD 4.28Å; Y585-M588 HydrophobicContact CG-CE 4.47Å; Y585-M588 WeakPolarHBondContact O-CB 3.42Å; Y585-M588 PolarHBondContact O-N 3.29Å; Y585-M588 VanDerWaalsContact O-N 3.07Å; D586-M588 PolarHBondContact O-N 3.12Å; M588-F590 VanDerWaalsContact C-N 3.32Å; M588-F590 HydrophobicContact CB-CD1 3.87Å; M588-F590 HydrophobicContact CB-CE1 3.36Å; M588-F590 HydrophobicContact CB-CZ 3.85Å; M588-F590 HydrophobicContact CG-CE1 4.3Å; M588-F590 HydrophobicContact CG-CZ 4.42Å; M588-F590 WeakPolarHBondContact O-CD1 3.42Å; M588-F590 PolarHBondContact O-N 3.14Å; M588-F590 HydrophobicContact SD-CE1 4.08Å; M588-F590 HydrophobicContact SD-CZ 3.74Å; M588-A633 HydrophobicContact SD-CB 4.11Å; M588-Q636 VanDerWaalsContact CA-OE1 3.26Å; M588-Q636 HydrophobicContact CB-CB 4.24Å; M588-Q636 HydrophobicContact CG-CB 3.91Å; M588-Q636 PolarHBondContact O-NE2 3.06Å; M588-Q636 PolarHBondContact O-OE1 3.09Å; M588-Q636 HydrophobicContact SD-CB 4.22Å; M588-F639 HydrophobicContact CE-CB 4.49Å; M588-F639 HydrophobicContact CG-CB 4.15Å; M588-L640 HydrophobicContact CE-CB 3.92Å
589	G	84.4	Confident	92.9	Very high	76 Å²	76	27.6 Å²	27.6	78%	0.784	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	6.5	173.5	0	0	0	0	0	115.4	D586 S587	D586-G589 PolarHBondContact O-N 2.67Å; S587-G589 PolarHBondContact O-N 3.23Å
590	F	83.4	Confident	93	Very high	26 Å²	26	30.5 Å²	30.5	11%	0.114	18%	0.179	C	C	.	.	S	Bend	trans	-118.4	136.9	169	54.9	-93.8	0	0	0	110.1	M588 M592 L629 L632 A633	M588-F590 VanDerWaalsContact C-N 3.32Å; M588-F590 HydrophobicContact CB-CD1 3.87Å; M588-F590 HydrophobicContact CB-CE1 3.36Å; M588-F590 HydrophobicContact CB-CZ 3.85Å; M588-F590 HydrophobicContact CG-CE1 4.3Å; M588-F590 HydrophobicContact CG-CZ 4.42Å; M588-F590 WeakPolarHBondContact O-CD1 3.42Å; M588-F590 PolarHBondContact O-N 3.14Å; M588-F590 HydrophobicContact SD-CE1 4.08Å; M588-F590 HydrophobicContact SD-CZ 3.74Å; F590-M592 HydrophobicContact CD2-CB 3.85Å; F590-M592 HydrophobicContact CD2-CG 4.3Å; F590-M592 HydrophobicContact CE2-CB 3.87Å; F590-M592 HydrophobicContact CE2-CG 4.05Å; F590-M592 HydrophobicContact CE2-SD 4.06Å; F590-M592 PolarHBondContact O-N 3.31Å; F590-L629 HydrophobicContact CB-CD2 4.08Å; F590-L629 HydrophobicContact CD2-CD2 3.74Å; F590-L629 HydrophobicContact CE2-CD2 4.31Å; F590-L629 HydrophobicContact CG-CD2 3.9Å; F590-L632 HydrophobicContact CD1-CB 4.2Å; F590-L632 HydrophobicContact CD1-CD1 4.28Å; F590-L632 HydrophobicContact CE1-CB 3.69Å; F590-L632 HydrophobicContact CZ-CB 4.43Å; F590-A633 HydrophobicContact CZ-CB 4.11Å
591	E	79.7	Confident	92.9	Very high	119 Å²	119	30.5 Å²	30.5	56%	0.556	18%	0.179	S	C	*	.			trans	-75.1	56.9	-171.8	-73	-156.8	129.1	0	0	113.5	S593 K594	E591-S593 PolarHBondContact O-N 3.23Å; E591-K594 HydrophobicContact CB-CB 4.07Å; E591-K594 HydrophobicContact CB-CG 3.75Å; E591-K594 HydrophobicContact CG-CG 4.18Å; E591-K594 PolarHBondContact O-N 2.94Å
592	M	87.5	Confident	92.9	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.4	-174.8	-149.1	-168.8	-162.7	0	0	113.4	F210 Y233 F238 Y585 F590 K594	F210-M592 HydrophobicContact CD1-CE 3.87Å; F210-M592 HydrophobicContact CD2-CE 4.41Å; F210-M592 HydrophobicContact CE1-CE 3.26Å; F210-M592 HydrophobicContact CE1-SD 4.31Å; F210-M592 HydrophobicContact CE2-CE 3.88Å; F210-M592 HydrophobicContact CG-CE 4.41Å; F210-M592 HydrophobicContact CZ-CE 3.26Å; Y233-M592 HydrophobicContact CD2-CE 4.41Å; Y233-M592 HydrophobicContact CE1-CE 4.28Å; Y233-M592 HydrophobicContact CE2-CE 3.52Å; Y233-M592 HydrophobicContact CE2-CG 4.5Å; Y233-M592 HydrophobicContact CE2-SD 3.68Å; Y233-M592 VanDerWaalsContact CZ-CE 3.47Å; Y233-M592 WeakPolarHBondContact OH-CE 3.36Å; F238-M592 HydrophobicContact CD1-CB 4.49Å; F238-M592 HydrophobicContact CD1-CG 4.39Å; F238-M592 WeakPolarHBondContact CD1-O 3.34Å; F238-M592 HydrophobicContact CE1-CB 4.09Å; F238-M592 HydrophobicContact CE1-CG 4.36Å; F238-M592 HydrophobicContact CE1-SD 4.43Å; Y585-M592 HydrophobicContact CD1-SD 3.56Å; Y585-M592 VanDerWaalsContact CD1-SD 3.56Å; Y585-M592 HydrophobicContact CE1-SD 3.86Å; Y585-M592 HydrophobicContact CG-SD 3.93Å; F590-M592 HydrophobicContact CD2-CB 3.85Å; F590-M592 HydrophobicContact CD2-CG 4.3Å; F590-M592 HydrophobicContact CE2-CB 3.87Å; F590-M592 HydrophobicContact CE2-CG 4.05Å; F590-M592 HydrophobicContact CE2-SD 4.06Å; F590-M592 PolarHBondContact O-N 3.31Å; M592-K594 VanDerWaalsContact C-N 3.26Å; M592-K594 PolarHBondContact O-N 2.71Å
593	S	91.4	Very high	92.9	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.028	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.9	176.9	66.2	0	0	0	0	113.8	P239 D586 E591	P239-S593 WeakPolarHBondContact CA-O 3.29Å; D586-S593 VanDerWaalsContact OD1-CB 3.22Å; D586-S593 WeakPolarHBondContact OD1-CB 3.32Å; D586-S593 PolarHBondContact OD1-OG 2.7Å; E591-S593 PolarHBondContact O-N 3.23Å
594	K	94.9	Very high	93.1	Very high	34 Å²	34	32 Å²	32	15%	0.148	20%	0.196	C	C	.	.	S	Bend	trans	-90	144.9	-179.1	-61.5	-49.5	-171.4	-159.9	0	111.7	E246 E591 M592 N596	E246-K594 IonicContact OE1-NZ 3.88Å; E246-K594 PolarHBondContact OE1-NZ 2.9Å; E246-K594 IonicContact OE2-NZ 3.86Å; E246-K594 PolarHBondContact OE2-NZ 3.36Å; E591-K594 HydrophobicContact CB-CB 4.07Å; E591-K594 HydrophobicContact CB-CG 3.75Å; E591-K594 HydrophobicContact CG-CG 4.18Å; E591-K594 PolarHBondContact O-N 2.94Å; M592-K594 VanDerWaalsContact C-N 3.26Å; M592-K594 PolarHBondContact O-N 2.71Å; K594-N596 PolarHBondContact O-N 3.01Å; K594-N596 VanDerWaalsContact O-N 3.13Å
595	P	96.1	Very high	93.2	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.032	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.7	-173.1	28.1	-37.7	0	0	0	114.1	P239 F243 H543 I545 L597 R598 S599	P239-P595 HydrophobicContact CB-CB 4.39Å; F243-P595 HydrophobicContact CE1-CG 4.29Å; F243-P595 HydrophobicContact CZ-CB 4.12Å; F243-P595 HydrophobicContact CZ-CG 3.87Å; H543-P595 HydrophobicContact CB-CB 3.88Å; H543-P595 HydrophobicContact CB-CG 3.66Å; I545-P595 HydrophobicContact CD1-CB 3.99Å; I545-P595 HydrophobicContact CG1-CB 4.34Å; I545-P595 HydrophobicContact CG2-CB 3.78Å; P595-L597 VanDerWaalsContact C-N 3.34Å; P595-L597 PolarHBondContact O-N 3.14Å; P595-L597 VanDerWaalsContact O-N 3.16Å; P595-R598 PolarHBondContact O-N 3.3Å; P595-S599 PolarHBondContact O-N 3.43Å
596	N	96.2	Very high	93.1	Very high	95 Å²	95	36.6 Å²	36.6	51%	0.508	22%	0.216	S	C	.	.	H	α-helix	trans	-48.3	-48.1	-167.9	-54.4	-15.5	0	0	0	113.6	K594 R598 S599 E600	K594-N596 PolarHBondContact O-N 3.01Å; K594-N596 VanDerWaalsContact O-N 3.13Å; N596-R598 PolarHBondContact O-N 3.09Å; N596-S599 PolarHBondContact O-N 3.31Å; N596-E600 PolarHBondContact O-N 3.25Å; N596-E600 VanDerWaalsContact O-N 3.08Å
597	L	94.5	Very high	93.3	Very high	30 Å²	30	36.2 Å²	36.2	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-40.8	-179.7	-65.6	171.1	0	0	0	112.7	P595 F601 K625 L629	P595-L597 VanDerWaalsContact C-N 3.34Å; P595-L597 PolarHBondContact O-N 3.14Å; P595-L597 VanDerWaalsContact O-N 3.16Å; L597-F601 PolarHBondContact O-N 3.05Å; L597-K625 HydrophobicContact CD2-CD 3.98Å; L597-K625 HydrophobicContact CD2-CG 4.4Å; L597-L629 HydrophobicContact CD1-CD1 3.49Å; L597-L629 VanDerWaalsContact CD1-CD1 3.49Å; L597-L629 HydrophobicContact CD2-CD1 4.36Å
598	R	96.8	Very high	93.5	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-77.9	-28.4	179.8	-179.2	60.2	-175.8	-155.8	-8.1	112	D203 S235 C236 P239 I545 P595 N596 F601 E602	D203-R598 VanDerWaalsContact CG-NH1 3.31Å; D203-R598 IonicContact OD1-NH1 3.28Å; D203-R598 PolarHBondContact OD1-NH1 2.97Å; D203-R598 IonicContact OD2-CZ 3.23Å; D203-R598 IonicContact OD2-NH1 2.69Å; D203-R598 PolarHBondContact OD2-NH1 3.37Å; D203-R598 IonicContact OD2-NH2 3.42Å; S235-R598 PolarHBondContact OG-NH1 2.82Å; C236-R598 HydrophobicContact CB-CG 3.82Å; P239-R598 HydrophobicContact CG-CB 4.46Å; I545-R598 HydrophobicContact CB-CG 4.2Å; I545-R598 HydrophobicContact CG2-CB 3.89Å; I545-R598 HydrophobicContact CG2-CG 3.91Å; P595-R598 PolarHBondContact O-N 3.3Å; N596-R598 PolarHBondContact O-N 3.09Å; R598-F601 WeakPolarHBondContact O-CB 3.42Å; R598-F601 PolarHBondContact O-N 2.68Å; R598-E602 IonicContact CZ-OE1 2.66Å; R598-E602 VanDerWaalsContact CZ-OE1 3.23Å; R598-E602 IonicContact NE-OE1 3.08Å; R598-E602 PolarHBondContact NE-OE1 2.91Å; R598-E602 IonicContact NH2-OE1 3.42Å; R598-E602 PolarHBondContact NH2-OE1 3.48Å; R598-E602 PolarHBondContact O-N 3.31Å
599	S	96.8	Very high	93.5	Very high	36 Å²	36	34.3 Å²	34.3	25%	0.252	20%	0.2	S	C	.	.	H	α-helix	trans	-70.2	-38.1	174.2	-165.2	0	0	0	0	112.1	H543 G544 P595 N596 E602 A603	H543-S599 WeakPolarHBondContact O-CB 3.49Å; H543-S599 PolarHBondContact O-OG 3.42Å; H543-S599 VanDerWaalsContact O-OG 3.05Å; G544-S599 VanDerWaalsContact O-CA 3.25Å; G544-S599 WeakPolarHBondContact O-CA 3.45Å; G544-S599 VanDerWaalsContact O-CB 3.29Å; G544-S599 WeakPolarHBondContact O-CB 3.39Å; G544-S599 PolarHBondContact O-OG 3.21Å; P595-S599 PolarHBondContact O-N 3.43Å; N596-S599 PolarHBondContact O-N 3.31Å; S599-E602 PolarHBondContact O-N 3.21Å; S599-A603 WeakPolarHBondContact O-CB 3.44Å; S599-A603 PolarHBondContact O-N 2.83Å
600	E	96.6	Very high	94	Very high	61 Å²	61	35 Å²	35	29%	0.285	18%	0.183	S	C	.	.	H	α-helix	trans	-62.8	-40.5	170.9	-171.2	-175.7	156.8	0	0	112.1	N596 D604 H621 K625	N596-E600 PolarHBondContact O-N 3.25Å; N596-E600 VanDerWaalsContact O-N 3.08Å; E600-D604 WeakPolarHBondContact O-CB 3.25Å; E600-D604 PolarHBondContact O-N 2.73Å; E600-H621 IonicContact OE1-CD2 2.73Å; E600-H621 IonicContact OE1-CE1 2.74Å; E600-H621 IonicContact OE1-NE2 3.16Å; E600-H621 PolarHBondContact OE1-NE2 2.9Å; E600-K625 IonicContact OE1-NZ 2.69Å; E600-K625 PolarHBondContact OE1-NZ 3Å; E600-K625 IonicContact OE2-NZ 2.66Å; E600-K625 PolarHBondContact OE2-NZ 3.44Å
601	F	95.1	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-55.2	172.7	-179.2	-32.8	0	0	0	111	R199 L202 D203 I206 L597 R598 A603 D604 L605 H622 Y626	R199-F601 HydrophobicContact CG-CE1 4.41Å; L202-F601 HydrophobicContact CB-CE1 4.22Å; L202-F601 HydrophobicContact CB-CE2 3.66Å; L202-F601 HydrophobicContact CB-CZ 3.35Å; L202-F601 HydrophobicContact CD1-CD1 4.08Å; L202-F601 HydrophobicContact CD1-CD2 4.26Å; L202-F601 HydrophobicContact CD1-CE1 3.66Å; L202-F601 HydrophobicContact CD1-CE2 3.87Å; L202-F601 HydrophobicContact CD1-CG 4.37Å; L202-F601 HydrophobicContact CD1-CZ 3.57Å; L202-F601 HydrophobicContact CG-CE2 4.36Å; L202-F601 HydrophobicContact CG-CZ 4.1Å; D203-F601 WeakPolarHBondContact OD1-CZ 3.25Å; I206-F601 HydrophobicContact CD1-CE2 4.13Å; L597-F601 PolarHBondContact O-N 3.05Å; R598-F601 WeakPolarHBondContact O-CB 3.42Å; R598-F601 PolarHBondContact O-N 2.68Å; F601-A603 VanDerWaalsContact C-N 3.34Å; F601-A603 PolarHBondContact O-N 3.1Å; F601-D604 WeakPolarHBondContact O-CB 3.41Å; F601-D604 PolarHBondContact O-N 3Å; F601-D604 VanDerWaalsContact O-N 3.09Å; F601-L605 HydrophobicContact CD1-CD1 4.14Å; F601-L605 HydrophobicContact CD1-CD2 4.24Å; F601-L605 HydrophobicContact CD1-CG 4.01Å; F601-L605 HydrophobicContact CE1-CD1 3.99Å; F601-L605 HydrophobicContact CE1-CD2 4.09Å; F601-L605 HydrophobicContact CE1-CG 4.16Å; F601-L605 WeakPolarHBondContact O-CG 3.46Å; F601-L605 PolarHBondContact O-N 2.91Å; F601-H622 VanDerWaalsContact CA-CE1 3.46Å; F601-H622 WeakPolarHBondContact CA-CE1 3.26Å; F601-H622 PolarHBondContact N-CE1 3.03Å; F601-Y626 HydrophobicContact CD2-CE2 4.34Å
602	E	96	Very high	95.4	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-33	-177.7	-72.6	179.8	-163.7	0	0	112.8	I545 G546 T547 R598 S599 L605 K606	I545-E602 VanDerWaalsContact C-OE2 3.28Å; I545-E602 VanDerWaalsContact CA-OE2 3.24Å; I545-E602 WeakPolarHBondContact CA-OE2 3.47Å; G546-E602 VanDerWaalsContact N-CD 3.3Å; G546-E602 PolarHBondContact N-OE1 2.95Å; G546-E602 PolarHBondContact N-OE2 2.97Å; T547-E602 WeakPolarHBondContact CG2-OE2 3.11Å; T547-E602 PolarHBondContact N-OE2 3.31Å; T547-E602 PolarHBondContact OG1-OE2 3.04Å; R598-E602 IonicContact CZ-OE1 2.66Å; R598-E602 VanDerWaalsContact CZ-OE1 3.23Å; R598-E602 IonicContact NE-OE1 3.08Å; R598-E602 PolarHBondContact NE-OE1 2.91Å; R598-E602 IonicContact NH2-OE1 3.42Å; R598-E602 PolarHBondContact NH2-OE1 3.48Å; R598-E602 PolarHBondContact O-N 3.31Å; S599-E602 PolarHBondContact O-N 3.21Å; E602-L605 PolarHBondContact O-N 3.43Å; E602-K606 PolarHBondContact O-N 2.88Å
603	A	96.9	Very high	95.9	Very high	54 Å²	54	41.4 Å²	41.4	45%	0.446	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-41.8	169.3	0	0	0	0	0	112	S599 F601 K606 L607	S599-A603 WeakPolarHBondContact O-CB 3.44Å; S599-A603 PolarHBondContact O-N 2.83Å; F601-A603 VanDerWaalsContact C-N 3.34Å; F601-A603 PolarHBondContact O-N 3.1Å; A603-K606 WeakPolarHBondContact O-CB 3.29Å; A603-K606 PolarHBondContact O-N 3.38Å; A603-L607 PolarHBondContact O-N 2.81Å; A603-L607 VanDerWaalsContact O-N 3.09Å
604	D	97.8	Very high	96.3	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-35.4	176.8	-86.2	-2	0	0	0	113.2	E600 F601 K606 L607 I608 K613 V618 H621 H622	E600-D604 WeakPolarHBondContact O-CB 3.25Å; E600-D604 PolarHBondContact O-N 2.73Å; F601-D604 WeakPolarHBondContact O-CB 3.41Å; F601-D604 PolarHBondContact O-N 3Å; F601-D604 VanDerWaalsContact O-N 3.09Å; D604-K606 VanDerWaalsContact C-N 3.25Å; D604-K606 PolarHBondContact O-N 3.4Å; D604-L607 WeakPolarHBondContact O-CB 3.19Å; D604-L607 PolarHBondContact O-N 3.39Å; D604-L607 VanDerWaalsContact O-N 3.1Å; D604-I608 PolarHBondContact O-N 3.05Å; D604-K613 WeakPolarHBondContact OD1-CE 3.37Å; D604-K613 IonicContact OD1-NZ 3.66Å; D604-K613 PolarHBondContact OD1-NZ 3.42Å; D604-K613 IonicContact OD2-NZ 2.71Å; D604-K613 PolarHBondContact OD2-NZ 3.28Å; D604-V618 HydrophobicContact CB-CG1 3.96Å; D604-V618 HydrophobicContact CB-CG2 4Å; D604-H621 IonicContact OD2-CD2 2.81Å; D604-H622 IonicContact OD2-CD2 2.82Å; D604-H622 IonicContact OD2-CE1 3.77Å; D604-H622 IonicContact OD2-NE2 3.93Å; D604-H622 PolarHBondContact OD2-NE2 2.99Å
605	L	96.6	Very high	96.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-58.4	-40.7	171	-61.6	-175.4	0	0	0	111.4	A195 V198 R199 F601 E602 L607 I608 C609	A195-L605 HydrophobicContact CB-CB 4.47Å; A195-L605 WeakPolarHBondContact CB-O 3.39Å; V198-L605 HydrophobicContact CB-CD2 4.32Å; V198-L605 HydrophobicContact CG1-CD2 3.94Å; R199-L605 HydrophobicContact CB-CD1 3.78Å; R199-L605 HydrophobicContact CB-CD2 4.21Å; R199-L605 HydrophobicContact CG-CD1 3.83Å; F601-L605 HydrophobicContact CD1-CD1 4.14Å; F601-L605 HydrophobicContact CD1-CD2 4.24Å; F601-L605 HydrophobicContact CD1-CG 4.01Å; F601-L605 HydrophobicContact CE1-CD1 3.99Å; F601-L605 HydrophobicContact CE1-CD2 4.09Å; F601-L605 HydrophobicContact CE1-CG 4.16Å; F601-L605 WeakPolarHBondContact O-CG 3.46Å; F601-L605 PolarHBondContact O-N 2.91Å; E602-L605 PolarHBondContact O-N 3.43Å; L605-L607 VanDerWaalsContact C-N 3.33Å; L605-I608 WeakPolarHBondContact O-CB 3.3Å; L605-I608 PolarHBondContact O-N 3.35Å; L605-C609 PolarHBondContact O-N 3Å; L605-C609 VanDerWaalsContact O-N 3.12Å; L605-C609 PolarHBondContact O-SG 3.39Å
606	K	94.2	Very high	96.5	Very high	92 Å²	92	52.5 Å²	52.5	40%	0.4	27%	0.273	S	S	.	.	H	α-helix	trans	-66.3	-34.8	175.7	-174.5	166.9	-174.9	159.1	0	112.2	E602 A603 D604 I608 C609 E610	E602-K606 PolarHBondContact O-N 2.88Å; A603-K606 WeakPolarHBondContact O-CB 3.29Å; A603-K606 PolarHBondContact O-N 3.38Å; D604-K606 VanDerWaalsContact C-N 3.25Å; D604-K606 PolarHBondContact O-N 3.4Å; K606-I608 VanDerWaalsContact C-N 3.31Å; K606-I608 PolarHBondContact O-N 3.44Å; K606-C609 PolarHBondContact O-N 3.31Å; K606-E610 WeakPolarHBondContact CE-OE1 3.3Å; K606-E610 WeakPolarHBondContact CG-OE1 3.27Å; K606-E610 WeakPolarHBondContact O-CB 3.34Å; K606-E610 WeakPolarHBondContact O-CG 3.33Å; K606-E610 PolarHBondContact O-N 2.89Å
607	L	97.2	Very high	96.5	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.188	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-32.4	172	-63.3	-179.3	0	0	0	112.5	A603 D604 L605 G611 R612 K613	A603-L607 PolarHBondContact O-N 2.81Å; A603-L607 VanDerWaalsContact O-N 3.09Å; D604-L607 WeakPolarHBondContact O-CB 3.19Å; D604-L607 PolarHBondContact O-N 3.39Å; D604-L607 VanDerWaalsContact O-N 3.1Å; L605-L607 VanDerWaalsContact C-N 3.33Å; L607-G611 PolarHBondContact O-N 2.94Å; L607-R612 HydrophobicContact CB-CB 4.36Å; L607-R612 HydrophobicContact CD2-CB 4.14Å; L607-R612 WeakPolarHBondContact O-CA 3.5Å; L607-R612 PolarHBondContact O-N 3.26Å; L607-K613 HydrophobicContact CB-CB 4.03Å; L607-K613 HydrophobicContact CB-CD 4.24Å; L607-K613 HydrophobicContact CB-CG 4Å; L607-K613 HydrophobicContact CD1-CD 3.83Å; L607-K613 HydrophobicContact CD1-CG 4.05Å; L607-K613 PolarHBondContact O-N 3.17Å
608	I	97.5	Very high	96.7	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-51	171.2	-63.4	169	0	0	0	110.4	T194 A195 V198 D604 L605 K606 E610 G611 V618	T194-I608 HydrophobicContact CG2-CG2 3.93Å; A195-I608 HydrophobicContact CB-CB 4.05Å; A195-I608 HydrophobicContact CB-CG2 3.97Å; V198-I608 HydrophobicContact CB-CD1 4.05Å; V198-I608 HydrophobicContact CG1-CD1 4.01Å; V198-I608 HydrophobicContact CG2-CD1 3.93Å; D604-I608 PolarHBondContact O-N 3.05Å; L605-I608 WeakPolarHBondContact O-CB 3.3Å; L605-I608 PolarHBondContact O-N 3.35Å; K606-I608 VanDerWaalsContact C-N 3.31Å; K606-I608 PolarHBondContact O-N 3.44Å; I608-E610 PolarHBondContact O-N 2.94Å; I608-G611 PolarHBondContact O-N 3.46Å; I608-V618 HydrophobicContact CD1-CB 3.98Å; I608-V618 HydrophobicContact CD1-CG1 4.08Å; I608-V618 HydrophobicContact CD1-CG2 3.89Å; I608-V618 HydrophobicContact CG1-CG2 3.97Å
609	C	93.8	Very high	96.7	Very high	24 Å²	24	52.9 Å²	52.9	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-54.1	-42.6	177.8	-62	0	0	0	0	112.2	R143 N191 A195 L605 K606 G611	R143-C609 PolarHBondContact NE-SG 2.59Å; N191-C609 WeakPolarHBondContact CB-O 3.4Å; A195-C609 WeakPolarHBondContact CB-SG 3.46Å; L605-C609 PolarHBondContact O-N 3Å; L605-C609 VanDerWaalsContact O-N 3.12Å; L605-C609 PolarHBondContact O-SG 3.39Å; K606-C609 PolarHBondContact O-N 3.31Å; C609-G611 PolarHBondContact O-N 3.33Å
610	E	94.4	Very high	96.8	Very high	90 Å²	90	57.2 Å²	57.2	42%	0.421	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	0.3	179.2	-66.5	173.4	-175.6	0	0	113.9	K606 I608 R612	K606-E610 WeakPolarHBondContact CE-OE1 3.3Å; K606-E610 WeakPolarHBondContact CG-OE1 3.27Å; K606-E610 WeakPolarHBondContact O-CB 3.34Å; K606-E610 WeakPolarHBondContact O-CG 3.33Å; K606-E610 PolarHBondContact O-N 2.89Å; I608-E610 PolarHBondContact O-N 2.94Å; E610-R612 VanDerWaalsContact C-N 3.27Å; E610-R612 HydrophobicContact CB-CG 4.02Å; E610-R612 PolarHBondContact O-N 2.89Å; E610-R612 IonicContact OE2-CZ 3.81Å; E610-R612 IonicContact OE2-NE 3.82Å; E610-R612 PolarHBondContact OE2-NE 3.13Å; E610-R612 IonicContact OE2-NH2 2.85Å; E610-R612 PolarHBondContact OE2-NH2 2.98Å
611	G	96.2	Very high	96.8	Very high	50 Å²	50	57.8 Å²	57.8	52%	0.515	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	20.8	-178.4	0	0	0	0	0	114.5	L607 I608 C609	L607-G611 PolarHBondContact O-N 2.94Å; I608-G611 PolarHBondContact O-N 3.46Å; C609-G611 PolarHBondContact O-N 3.33Å
612	R	97.9	Very high	96.9	Very high	168 Å²	168	57.9 Å²	57.9	63%	0.634	29%	0.291	S	S	*	.	S	Bend	trans	-101.4	-7.2	-174.7	-58	-159.7	-70.4	136.5	-10.6	114.5	L607 E610	L607-R612 HydrophobicContact CB-CB 4.36Å; L607-R612 HydrophobicContact CD2-CB 4.14Å; L607-R612 WeakPolarHBondContact O-CA 3.5Å; L607-R612 PolarHBondContact O-N 3.26Å; E610-R612 VanDerWaalsContact C-N 3.27Å; E610-R612 HydrophobicContact CB-CG 4.02Å; E610-R612 PolarHBondContact O-N 2.89Å; E610-R612 IonicContact OE2-CZ 3.81Å; E610-R612 IonicContact OE2-NE 3.82Å; E610-R612 PolarHBondContact OE2-NE 3.13Å; E610-R612 IonicContact OE2-NH2 2.85Å; E610-R612 PolarHBondContact OE2-NH2 2.98Å
613	K	98.1	Very high	96.9	Very high	65 Å²	65	58.7 Å²	58.7	28%	0.283	30%	0.295	S	S	.	.	S	Bend	trans	-143.2	149.9	166.9	-81.7	-168.8	171.1	178.9	0	109.9	D604 L607 V618	D604-K613 WeakPolarHBondContact OD1-CE 3.37Å; D604-K613 IonicContact OD1-NZ 3.66Å; D604-K613 PolarHBondContact OD1-NZ 3.42Å; D604-K613 IonicContact OD2-NZ 2.71Å; D604-K613 PolarHBondContact OD2-NZ 3.28Å; L607-K613 HydrophobicContact CB-CB 4.03Å; L607-K613 HydrophobicContact CB-CD 4.24Å; L607-K613 HydrophobicContact CB-CG 4Å; L607-K613 HydrophobicContact CD1-CD 3.83Å; L607-K613 HydrophobicContact CD1-CG 4.05Å; L607-K613 PolarHBondContact O-N 3.17Å; K613-V618 HydrophobicContact CB-CG2 3.92Å; K613-V618 HydrophobicContact CD-CG2 3.66Å; K613-V618 HydrophobicContact CG-CG2 4.44Å
614	T	98	Very high	96.9	Very high	67 Å²	67	59.8 Å²	59.8	41%	0.411	29%	0.294	S	S	.	.			trans	-82.5	163.7	170.3	64.8	0	0	0	0	111.6	E616 E617 V618	T614-E616 VanDerWaalsContact C-N 3.34Å; T614-E617 WeakPolarHBondContact CB-OE2 3.37Å; T614-E617 WeakPolarHBondContact CG2-OE2 3.43Å; T614-E617 PolarHBondContact N-OE2 3.33Å; T614-E617 WeakPolarHBondContact OG1-CB 3.35Å; T614-E617 WeakPolarHBondContact OG1-CG 3.12Å; T614-E617 PolarHBondContact OG1-N 3.02Å; T614-E617 PolarHBondContact OG1-OE2 2.79Å; T614-V618 WeakPolarHBondContact O-CG2 3.49Å; T614-V618 PolarHBondContact O-N 3.34Å
615	K	97.4	Very high	96.8	Very high	96 Å²	96	62.6 Å²	62.6	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-67.7	-36.2	174.3	62.5	179.4	-172.4	-177	0	111.9	T194 V198 V618 L619	T194-K615 HydrophobicContact CG2-CB 3.71Å; T194-K615 HydrophobicContact CG2-CD 3.89Å; T194-K615 HydrophobicContact CG2-CG 4.19Å; V198-K615 HydrophobicContact CG2-CB 3.42Å; V198-K615 VanDerWaalsContact CG2-CB 3.42Å; K615-V618 PolarHBondContact O-N 3.39Å; K615-L619 VanDerWaalsContact O-CB 3.27Å; K615-L619 WeakPolarHBondContact O-CB 3.38Å; K615-L619 VanDerWaalsContact O-CG 3.27Å; K615-L619 WeakPolarHBondContact O-CG 3.34Å; K615-L619 PolarHBondContact O-N 3Å
616	E	97.7	Very high	96.8	Very high	113 Å²	113	62.5 Å²	62.5	53%	0.528	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-45.9	-179.4	-70.2	72.2	-161.9	0	0	111.4	T614 H620	T614-E616 VanDerWaalsContact C-N 3.34Å; E616-H620 WeakPolarHBondContact O-CB 3.36Å; E616-H620 PolarHBondContact O-N 3.4Å
617	E	97.9	Very high	96.9	Very high	110 Å²	110	60.7 Å²	60.7	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-46.4	177	-71.4	162.8	133.6	0	0	112	T614 H621	T614-E617 WeakPolarHBondContact CB-OE2 3.37Å; T614-E617 WeakPolarHBondContact CG2-OE2 3.43Å; T614-E617 PolarHBondContact N-OE2 3.33Å; T614-E617 WeakPolarHBondContact OG1-CB 3.35Å; T614-E617 WeakPolarHBondContact OG1-CG 3.12Å; T614-E617 PolarHBondContact OG1-N 3.02Å; T614-E617 PolarHBondContact OG1-OE2 2.79Å; E617-H621 VanDerWaalsContact O-CB 3.26Å; E617-H621 WeakPolarHBondContact O-CB 3.33Å; E617-H621 PolarHBondContact O-N 3.15Å
618	V	98	Very high	96.8	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69.6	-44.7	-178	175.5	0	0	0	0	111.2	V198 L202 D604 I608 K613 T614 K615 H622	V198-V618 HydrophobicContact CG1-CB 4.43Å; V198-V618 HydrophobicContact CG1-CG1 3.8Å; L202-V618 HydrophobicContact CD1-CG1 4.48Å; D604-V618 HydrophobicContact CB-CG1 3.96Å; D604-V618 HydrophobicContact CB-CG2 4Å; I608-V618 HydrophobicContact CD1-CB 3.98Å; I608-V618 HydrophobicContact CD1-CG1 4.08Å; I608-V618 HydrophobicContact CD1-CG2 3.89Å; I608-V618 HydrophobicContact CG1-CG2 3.97Å; K613-V618 HydrophobicContact CB-CG2 3.92Å; K613-V618 HydrophobicContact CD-CG2 3.66Å; K613-V618 HydrophobicContact CG-CG2 4.44Å; T614-V618 WeakPolarHBondContact O-CG2 3.49Å; T614-V618 PolarHBondContact O-N 3.34Å; K615-V618 PolarHBondContact O-N 3.39Å; V618-H622 PolarHBondContact O-CD2 3.39Å; V618-H622 VanDerWaalsContact O-CD2 3.28Å; V618-H622 PolarHBondContact O-N 3.46Å
619	L	97.5	Very high	96.7	Very high	25 Å²	25	63.8 Å²	63.8	13%	0.131	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-48.9	175.1	-76.4	167.7	0	0	0	111.1	V198 E201 L202 K615 L623	V198-L619 HydrophobicContact CG1-CD2 4.13Å; V198-L619 HydrophobicContact CG1-CG 4.17Å; V198-L619 HydrophobicContact CG2-CD1 4.26Å; V198-L619 HydrophobicContact CG2-CG 4.14Å; E201-L619 HydrophobicContact CB-CD2 4.17Å; E201-L619 HydrophobicContact CG-CD2 3.77Å; L202-L619 HydrophobicContact CD2-CD2 4.01Å; L202-L619 HydrophobicContact CG-CD2 3.97Å; K615-L619 VanDerWaalsContact O-CB 3.27Å; K615-L619 WeakPolarHBondContact O-CB 3.38Å; K615-L619 VanDerWaalsContact O-CG 3.27Å; K615-L619 WeakPolarHBondContact O-CG 3.34Å; K615-L619 PolarHBondContact O-N 3Å; L619-L623 HydrophobicContact CD2-CD1 4.49Å; L619-L623 WeakPolarHBondContact O-CB 3.16Å; L619-L623 WeakPolarHBondContact O-CG 3.41Å; L619-L623 PolarHBondContact O-N 2.83Å
620	H	97.2	Very high	96.8	Very high	127 Å²	127	62.6 Å²	62.6	59%	0.588	30%	0.303	S	S	*	.	H	α-helix	trans	-62.5	-46.9	-179.2	-172.7	80	0	0	0	112.1	E616 N624	E616-H620 WeakPolarHBondContact O-CB 3.36Å; E616-H620 PolarHBondContact O-N 3.4Å; H620-N624 PolarHBondContact CD2-ND2 2.87Å; H620-N624 VanDerWaalsContact CD2-ND2 3.34Å; H620-N624 PolarHBondContact CE1-ND2 3.15Å; H620-N624 VanDerWaalsContact CE1-ND2 3.32Å; H620-N624 PolarHBondContact NE2-ND2 2.77Å; H620-N624 VanDerWaalsContact O-CB 3.31Å; H620-N624 WeakPolarHBondContact O-CB 3.2Å; H620-N624 PolarHBondContact O-N 2.84Å; H620-N624 VanDerWaalsContact O-N 3.12Å; H620-N624 PolarHBondContact O-ND2 2.9Å
621	H	97.6	Very high	96.8	Very high	74 Å²	74	62.2 Å²	62.2	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-59.5	-54.8	179.4	179.9	61.3	0	0	0	112.2	E600 D604 E617 K625	E600-H621 IonicContact OE1-CD2 2.73Å; E600-H621 IonicContact OE1-CE1 2.74Å; E600-H621 IonicContact OE1-NE2 3.16Å; E600-H621 PolarHBondContact OE1-NE2 2.9Å; D604-H621 IonicContact OD2-CD2 2.81Å; E617-H621 VanDerWaalsContact O-CB 3.26Å; E617-H621 WeakPolarHBondContact O-CB 3.33Å; E617-H621 PolarHBondContact O-N 3.15Å; H621-K625 WeakPolarHBondContact O-CB 3.35Å; H621-K625 PolarHBondContact O-N 2.87Å; H621-K625 VanDerWaalsContact O-N 3.15Å
622	H	97.4	Very high	96.7	Very high	1 Å²	1	62 Å²	62	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-73.5	-37.4	-175.3	-71.3	-72.1	0	0	0	112.9	L202 F601 D604 V618 K625 Y626	L202-H622 HydrophobicContact CD1-CB 4.07Å; L202-H622 HydrophobicContact CD2-CB 3.87Å; F601-H622 VanDerWaalsContact CA-CE1 3.46Å; F601-H622 WeakPolarHBondContact CA-CE1 3.26Å; F601-H622 PolarHBondContact N-CE1 3.03Å; D604-H622 IonicContact OD2-CD2 2.82Å; D604-H622 IonicContact OD2-CE1 3.77Å; D604-H622 IonicContact OD2-NE2 3.93Å; D604-H622 PolarHBondContact OD2-NE2 2.99Å; V618-H622 PolarHBondContact O-CD2 3.39Å; V618-H622 VanDerWaalsContact O-CD2 3.28Å; V618-H622 PolarHBondContact O-N 3.46Å; H622-K625 PolarHBondContact O-N 2.75Å; H622-Y626 WeakPolarHBondContact O-CD2 3.44Å; H622-Y626 PolarHBondContact O-N 3.28Å
623	L	96.8	Very high	96.5	Very high	22 Å²	22	54 Å²	54	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-44.2	176.4	-69.1	174.6	0	0	0	111.9	F106 L202 R205 L619 K625 Y626 K627	F106-L623 HydrophobicContact CD1-CD2 4.14Å; L202-L623 HydrophobicContact CD2-CD2 3.71Å; L202-L623 HydrophobicContact CD2-CG 3.69Å; R205-L623 HydrophobicContact CB-CD2 3.85Å; R205-L623 VanDerWaalsContact CD-CD2 3.48Å; R205-L623 HydrophobicContact CG-CD2 4.33Å; L619-L623 HydrophobicContact CD2-CD1 4.49Å; L619-L623 WeakPolarHBondContact O-CB 3.16Å; L619-L623 WeakPolarHBondContact O-CG 3.41Å; L619-L623 PolarHBondContact O-N 2.83Å; L623-K625 VanDerWaalsContact C-N 3.32Å; L623-K625 PolarHBondContact O-N 3.42Å; L623-Y626 PolarHBondContact O-N 3.17Å; L623-K627 WeakPolarHBondContact O-CB 3.43Å; L623-K627 PolarHBondContact O-N 3.44Å
624	N	96.6	Very high	96.3	Very high	77 Å²	77	51.9 Å²	51.9	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-58.7	-45.6	175	-72.8	-18.9	0	0	0	111.4	H620 K627 E628	H620-N624 PolarHBondContact CD2-ND2 2.87Å; H620-N624 VanDerWaalsContact CD2-ND2 3.34Å; H620-N624 PolarHBondContact CE1-ND2 3.15Å; H620-N624 VanDerWaalsContact CE1-ND2 3.32Å; H620-N624 PolarHBondContact NE2-ND2 2.77Å; H620-N624 VanDerWaalsContact O-CB 3.31Å; H620-N624 WeakPolarHBondContact O-CB 3.2Å; H620-N624 PolarHBondContact O-N 2.84Å; H620-N624 VanDerWaalsContact O-N 3.12Å; H620-N624 PolarHBondContact O-ND2 2.9Å; N624-K627 PolarHBondContact O-N 3.1Å; N624-E628 PolarHBondContact O-N 3.12Å
625	K	95.4	Very high	96	Very high	68 Å²	68	51.8 Å²	51.8	30%	0.296	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-48.1	-178.5	-161.8	172.3	-160.5	171.2	0	112.3	L597 E600 H621 H622 L623 L629	L597-K625 HydrophobicContact CD2-CD 3.98Å; L597-K625 HydrophobicContact CD2-CG 4.4Å; E600-K625 IonicContact OE1-NZ 2.69Å; E600-K625 PolarHBondContact OE1-NZ 3Å; E600-K625 IonicContact OE2-NZ 2.66Å; E600-K625 PolarHBondContact OE2-NZ 3.44Å; H621-K625 WeakPolarHBondContact O-CB 3.35Å; H621-K625 PolarHBondContact O-N 2.87Å; H621-K625 VanDerWaalsContact O-N 3.15Å; H622-K625 PolarHBondContact O-N 2.75Å; L623-K625 VanDerWaalsContact C-N 3.32Å; L623-K625 PolarHBondContact O-N 3.42Å; K625-L629 WeakPolarHBondContact O-CG 3.28Å; K625-L629 PolarHBondContact O-N 3.39Å
626	Y	96.7	Very high	95.8	Very high	2 Å²	2	50 Å²	50	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-73	-29	177.3	-83.5	-85.3	0	0	0	113.3	I206 F210 F601 H622 L623 L629 F630	I206-Y626 HydrophobicContact CD1-CD1 4.18Å; I206-Y626 HydrophobicContact CD1-CD2 3.44Å; I206-Y626 VanDerWaalsContact CD1-CD2 3.44Å; I206-Y626 HydrophobicContact CD1-CE1 4.47Å; I206-Y626 HydrophobicContact CD1-CE2 3.8Å; I206-Y626 HydrophobicContact CD1-CG 3.64Å; I206-Y626 HydrophobicContact CG1-CD1 4.33Å; I206-Y626 HydrophobicContact CG1-CD2 4.2Å; I206-Y626 HydrophobicContact CG1-CG 3.89Å; I206-Y626 HydrophobicContact CG2-CD1 3.54Å; I206-Y626 HydrophobicContact CG2-CE1 3.92Å; I206-Y626 HydrophobicContact CG2-CG 4Å; F210-Y626 HydrophobicContact CE2-CD1 4.34Å; F601-Y626 HydrophobicContact CD2-CE2 4.34Å; H622-Y626 WeakPolarHBondContact O-CD2 3.44Å; H622-Y626 PolarHBondContact O-N 3.28Å; L623-Y626 PolarHBondContact O-N 3.17Å; Y626-L629 PolarHBondContact O-N 2.97Å; Y626-F630 VanDerWaalsContact O-CB 3.29Å; Y626-F630 WeakPolarHBondContact O-CB 3.31Å; Y626-F630 PolarHBondContact O-N 3.22Å
627	K	96.5	Very high	95.6	Very high	55 Å²	55	44.7 Å²	44.7	24%	0.239	21%	0.212	C	C	.	.	H	α-helix	trans	-67.9	-38.7	175.4	-172.2	179.6	-168.8	177.9	0	112.2	F106 D107 L623 N624 F630 R631	F106-K627 HydrophobicContact CB-CB 4.39Å; F106-K627 HydrophobicContact CB-CD 3.97Å; F106-K627 HydrophobicContact CB-CG 4.14Å; F106-K627 HydrophobicContact CD1-CB 3.84Å; F106-K627 HydrophobicContact CD1-CG 4.41Å; F106-K627 HydrophobicContact CD2-CB 4.21Å; F106-K627 HydrophobicContact CD2-CG 4.03Å; F106-K627 HydrophobicContact CE1-CB 4.16Å; F106-K627 HydrophobicContact CE2-CB 4.5Å; F106-K627 HydrophobicContact CG-CB 3.88Å; F106-K627 HydrophobicContact CG-CD 4.31Å; F106-K627 HydrophobicContact CG-CG 3.93Å; F106-K627 HydrophobicContact CZ-CB 4.48Å; D107-K627 IonicContact OD1-NZ 2.7Å; D107-K627 PolarHBondContact OD1-NZ 3.03Å; D107-K627 WeakPolarHBondContact OD2-CE 3.49Å; D107-K627 IonicContact OD2-NZ 2.79Å; D107-K627 PolarHBondContact OD2-NZ 3.01Å; L623-K627 WeakPolarHBondContact O-CB 3.43Å; L623-K627 PolarHBondContact O-N 3.44Å; N624-K627 PolarHBondContact O-N 3.1Å; K627-F630 WeakPolarHBondContact O-CB 3.28Å; K627-F630 PolarHBondContact O-N 2.99Å; K627-R631 PolarHBondContact O-N 2.99Å
628	E	95	Very high	95.3	Very high	83 Å²	83	43 Å²	43	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-67.8	-45	173.2	174	54.5	-164.8	0	0	111.7	N624 F630 R631 L632	N624-E628 PolarHBondContact O-N 3.12Å; E628-F630 PolarHBondContact O-N 2.82Å; E628-R631 WeakPolarHBondContact O-CB 3.36Å; E628-R631 PolarHBondContact O-N 3.02Å; E628-R631 VanDerWaalsContact O-N 3.12Å; E628-R631 IonicContact OE1-CZ 2.75Å; E628-R631 IonicContact OE1-NE 2.83Å; E628-R631 IonicContact OE1-NH2 2.73Å; E628-R631 PolarHBondContact OE1-NH2 2.94Å; E628-R631 IonicContact OE2-CZ 2.69Å; E628-R631 IonicContact OE2-NE 2.72Å; E628-R631 PolarHBondContact OE2-NE 3.47Å; E628-R631 IonicContact OE2-NH2 3.16Å; E628-R631 PolarHBondContact OE2-NH2 3.45Å; E628-L632 WeakPolarHBondContact O-CG 3.37Å; E628-L632 PolarHBondContact O-N 3.14Å
629	L	94.5	Very high	95.1	Very high	22 Å²	22	47.2 Å²	47.2	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-35.3	172.7	-67.2	169.8	0	0	0	112.1	F590 L597 K625 Y626 L632 A633	F590-L629 HydrophobicContact CB-CD2 4.08Å; F590-L629 HydrophobicContact CD2-CD2 3.74Å; F590-L629 HydrophobicContact CE2-CD2 4.31Å; F590-L629 HydrophobicContact CG-CD2 3.9Å; L597-L629 HydrophobicContact CD1-CD1 3.49Å; L597-L629 VanDerWaalsContact CD1-CD1 3.49Å; L597-L629 HydrophobicContact CD2-CD1 4.36Å; K625-L629 WeakPolarHBondContact O-CG 3.28Å; K625-L629 PolarHBondContact O-N 3.39Å; Y626-L629 PolarHBondContact O-N 2.97Å; L629-L632 PolarHBondContact O-N 3.18Å; L629-A633 WeakPolarHBondContact O-CB 3.36Å; L629-A633 PolarHBondContact O-N 3.09Å
630	F	96	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.1	-39.2	174.7	-174.8	-100.6	0	0	0	112.7	P102 M103 F106 A209 F210 F213 Y626 K627 E628 A633 L634	P102-F630 HydrophobicContact CB-CZ 3.99Å; M103-F630 HydrophobicContact CB-CD1 4.2Å; M103-F630 HydrophobicContact CB-CE1 3.78Å; M103-F630 HydrophobicContact CE-CD1 4.19Å; M103-F630 HydrophobicContact CE-CE1 4.49Å; M103-F630 HydrophobicContact CG-CD1 4.29Å; M103-F630 HydrophobicContact CG-CE1 4.37Å; F106-F630 HydrophobicContact CD2-CD1 4.48Å; F106-F630 HydrophobicContact CE2-CB 3.67Å; F106-F630 AromaticContact CE2-CD1 3.74Å; F106-F630 HydrophobicContact CE2-CD1 3.74Å; F106-F630 HydrophobicContact CE2-CD2 4.17Å; F106-F630 HydrophobicContact CE2-CE1 4.45Å; F106-F630 AromaticContact CE2-CG 3.59Å; F106-F630 HydrophobicContact CE2-CG 3.59Å; F106-F630 HydrophobicContact CZ-CB 3.79Å; F106-F630 HydrophobicContact CZ-CG 4.08Å; A209-F630 HydrophobicContact CB-CD2 4.36Å; A209-F630 HydrophobicContact CB-CE2 4.19Å; A209-F630 HydrophobicContact CB-CZ 4.47Å; A209-F630 WeakPolarHBondContact O-CE2 3.36Å; F210-F630 AromaticContact CD1-CD2 3.74Å; F210-F630 HydrophobicContact CD1-CD2 3.74Å; F210-F630 HydrophobicContact CD1-CE2 4.29Å; F210-F630 AromaticContact CD2-CD2 3.88Å; F210-F630 HydrophobicContact CD2-CD2 3.88Å; F210-F630 HydrophobicContact CE1-CB 4.21Å; F210-F630 AromaticContact CE1-CD2 3.67Å; F210-F630 HydrophobicContact CE1-CD2 3.67Å; F210-F630 HydrophobicContact CE1-CG 4.43Å; F210-F630 HydrophobicContact CE2-CB 3.85Å; F210-F630 AromaticContact CE2-CD2 3.82Å; F210-F630 HydrophobicContact CE2-CD2 3.82Å; F210-F630 HydrophobicContact CE2-CG 4.31Å; F210-F630 AromaticContact CG-CD2 3.84Å; F210-F630 HydrophobicContact CG-CD2 3.84Å; F210-F630 HydrophobicContact CG-CE2 4.31Å; F210-F630 VanDerWaalsContact CZ-CA 3.5Å; F210-F630 HydrophobicContact CZ-CB 3.57Å; F210-F630 AromaticContact CZ-CD2 3.71Å; F210-F630 HydrophobicContact CZ-CD2 3.71Å; F210-F630 HydrophobicContact CZ-CG 4.15Å; F213-F630 HydrophobicContact CB-CE2 3.64Å; F213-F630 HydrophobicContact CB-CZ 3.81Å; F213-F630 HydrophobicContact CD1-CE2 4.19Å; F213-F630 HydrophobicContact CG-CE2 4.03Å; F213-F630 HydrophobicContact CG-CZ 4.31Å; Y626-F630 VanDerWaalsContact O-CB 3.29Å; Y626-F630 WeakPolarHBondContact O-CB 3.31Å; Y626-F630 PolarHBondContact O-N 3.22Å; K627-F630 WeakPolarHBondContact O-CB 3.28Å; K627-F630 PolarHBondContact O-N 2.99Å; E628-F630 PolarHBondContact O-N 2.82Å; F630-A633 PolarHBondContact O-N 3.25Å; F630-L634 HydrophobicContact CD1-CD1 3.78Å; F630-L634 HydrophobicContact CD1-CG 4.42Å; F630-L634 HydrophobicContact CE1-CD1 3.35Å; F630-L634 HydrophobicContact CE1-CG 3.99Å; F630-L634 HydrophobicContact CZ-CD1 3.98Å; F630-L634 HydrophobicContact CZ-CG 4.16Å; F630-L634 PolarHBondContact O-N 3.34Å
631	R	94.9	Very high	94.8	Very high	81 Å²	81	40.7 Å²	40.7	31%	0.306	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-43.1	172.7	-171.2	-169.2	70.1	88.3	5.7	111.4	M103 K627 E628 N635	M103-R631 HydrophobicContact CE-CB 4.04Å; M103-R631 HydrophobicContact CE-CG 4.17Å; K627-R631 PolarHBondContact O-N 2.99Å; E628-R631 WeakPolarHBondContact O-CB 3.36Å; E628-R631 PolarHBondContact O-N 3.02Å; E628-R631 VanDerWaalsContact O-N 3.12Å; E628-R631 IonicContact OE1-CZ 2.75Å; E628-R631 IonicContact OE1-NE 2.83Å; E628-R631 IonicContact OE1-NH2 2.73Å; E628-R631 PolarHBondContact OE1-NH2 2.94Å; E628-R631 IonicContact OE2-CZ 2.69Å; E628-R631 IonicContact OE2-NE 2.72Å; E628-R631 PolarHBondContact OE2-NE 3.47Å; E628-R631 IonicContact OE2-NH2 3.16Å; E628-R631 PolarHBondContact OE2-NH2 3.45Å; R631-N635 VanDerWaalsContact O-CG 3.32Å; R631-N635 PolarHBondContact O-N 3.36Å; R631-N635 VanDerWaalsContact O-N 3.16Å; R631-N635 PolarHBondContact O-ND2 3.3Å
632	L	93.7	Very high	94.6	Very high	47 Å²	47	46 Å²	46	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-44.7	174.4	-65.5	173.5	0	0	0	111.5	F590 E628 L629 L634 N635 Q636	F590-L632 HydrophobicContact CD1-CB 4.2Å; F590-L632 HydrophobicContact CD1-CD1 4.28Å; F590-L632 HydrophobicContact CE1-CB 3.69Å; F590-L632 HydrophobicContact CZ-CB 4.43Å; E628-L632 WeakPolarHBondContact O-CG 3.37Å; E628-L632 PolarHBondContact O-N 3.14Å; L629-L632 PolarHBondContact O-N 3.18Å; L632-L634 PolarHBondContact O-N 2.69Å; L632-N635 PolarHBondContact O-N 2.95Å; L632-Q636 WeakPolarHBondContact O-CB 3.11Å; L632-Q636 WeakPolarHBondContact O-CG 3.33Å; L632-Q636 PolarHBondContact O-N 2.68Å
633	A	94	Very high	94.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-39	177.6	0	0	0	0	0	113.6	F210 F213 Y585 M588 F590 L629 F630 Q636 A637	F210-A633 HydrophobicContact CE1-CB 3.99Å; F213-A633 HydrophobicContact CE1-CB 4.4Å; Y585-A633 HydrophobicContact CE1-CB 4.01Å; M588-A633 HydrophobicContact SD-CB 4.11Å; F590-A633 HydrophobicContact CZ-CB 4.11Å; L629-A633 WeakPolarHBondContact O-CB 3.36Å; L629-A633 PolarHBondContact O-N 3.09Å; F630-A633 PolarHBondContact O-N 3.25Å; A633-Q636 CarbonylContact O-C 3.54Å; A633-Q636 PolarHBondContact O-N 3.44Å; A633-A637 WeakPolarHBondContact O-CA 3.31Å; A633-A637 PolarHBondContact O-N 3.23Å
634	L	92.9	Very high	94.3	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-48.9	173.6	-84.5	167.7	0	0	0	111.9	M103 F213 F630 L632 Q636 A637 V662 M665	M103-L634 HydrophobicContact CE-CD1 3.63Å; F213-L634 HydrophobicContact CD2-CD2 3.54Å; F213-L634 HydrophobicContact CD2-CG 4.38Å; F213-L634 HydrophobicContact CE2-CD2 3.68Å; F213-L634 HydrophobicContact CE2-CG 4.41Å; F213-L634 HydrophobicContact CG-CD2 4.4Å; F630-L634 HydrophobicContact CD1-CD1 3.78Å; F630-L634 HydrophobicContact CD1-CG 4.42Å; F630-L634 HydrophobicContact CE1-CD1 3.35Å; F630-L634 HydrophobicContact CE1-CG 3.99Å; F630-L634 HydrophobicContact CZ-CD1 3.98Å; F630-L634 HydrophobicContact CZ-CG 4.16Å; F630-L634 PolarHBondContact O-N 3.34Å; L632-L634 PolarHBondContact O-N 2.69Å; L634-Q636 PolarHBondContact O-N 3.14Å; L634-A637 WeakPolarHBondContact O-CB 3.26Å; L634-A637 PolarHBondContact O-N 2.88Å; L634-V662 HydrophobicContact CD2-CG1 4.26Å; L634-M665 HydrophobicContact CD1-SD 3.63Å; L634-M665 HydrophobicContact CD2-SD 3.66Å; L634-M665 HydrophobicContact CG-SD 4.32Å
635	N	92.3	Very high	94.1	Very high	66 Å²	66	42.8 Å²	42.8	35%	0.353	20%	0.204	S	C	.	.	H	α-helix	trans	-66.6	-23.3	-179.3	-70.4	-18.5	0	0	0	113	R631 L632	R631-N635 VanDerWaalsContact O-CG 3.32Å; R631-N635 PolarHBondContact O-N 3.36Å; R631-N635 VanDerWaalsContact O-N 3.16Å; R631-N635 PolarHBondContact O-ND2 3.3Å; L632-N635 PolarHBondContact O-N 2.95Å
636	Q	93.6	Very high	93.9	Very high	57 Å²	57	45.7 Å²	45.7	27%	0.266	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	18.5	-178.1	-61.6	-166	42.5	0	0	113.5	M588 L632 A633 L634 S638 F639	M588-Q636 VanDerWaalsContact CA-OE1 3.26Å; M588-Q636 HydrophobicContact CB-CB 4.24Å; M588-Q636 HydrophobicContact CG-CB 3.91Å; M588-Q636 PolarHBondContact O-NE2 3.06Å; M588-Q636 PolarHBondContact O-OE1 3.09Å; M588-Q636 HydrophobicContact SD-CB 4.22Å; L632-Q636 WeakPolarHBondContact O-CB 3.11Å; L632-Q636 WeakPolarHBondContact O-CG 3.33Å; L632-Q636 PolarHBondContact O-N 2.68Å; A633-Q636 CarbonylContact O-C 3.54Å; A633-Q636 PolarHBondContact O-N 3.44Å; L634-Q636 PolarHBondContact O-N 3.14Å; Q636-S638 PolarHBondContact O-N 3.39Å; Q636-F639 HydrophobicContact CB-CD2 4.01Å; Q636-F639 HydrophobicContact CB-CE2 4.48Å; Q636-F639 WeakPolarHBondContact O-CD2 3.35Å; Q636-F639 PolarHBondContact O-N 3.04Å
637	A	92.9	Very high	93.6	Very high	3 Å²	3	48 Å²	48	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-23.5	-172.2	0	0	0	0	0	114.8	F213 A633 L634 F639 L640 D641	F213-A637 HydrophobicContact CE2-CB 3.92Å; F213-A637 HydrophobicContact CZ-CB 3.71Å; A633-A637 WeakPolarHBondContact O-CA 3.31Å; A633-A637 PolarHBondContact O-N 3.23Å; L634-A637 WeakPolarHBondContact O-CB 3.26Å; L634-A637 PolarHBondContact O-N 2.88Å; A637-F639 PolarHBondContact O-N 2.97Å; A637-L640 VanDerWaalsContact O-CB 3.32Å; A637-L640 WeakPolarHBondContact O-CB 3.31Å; A637-L640 PolarHBondContact O-N 3.21Å; A637-L640 VanDerWaalsContact O-N 3.09Å; A637-D641 PolarHBondContact O-N 2.87Å
638	S	92.6	Very high	93.3	Very high	74 Å²	74	46.8 Å²	46.8	52%	0.517	23%	0.227	S	C	.	.	H	α-helix	trans	-64.4	-21.6	175.6	52.4	0	0	0	0	114.4	Q636 R642	Q636-S638 PolarHBondContact O-N 3.39Å; S638-R642 WeakPolarHBondContact O-CB 3.38Å; S638-R642 PolarHBondContact O-N 2.94Å
639	F	94	Very high	92.8	Very high	88 Å²	88	51.2 Å²	51.2	39%	0.386	25%	0.248	S	C	.	.	H	α-helix	trans	-69.2	-34.7	171.1	-74.9	-85.7	0	0	0	112	M588 Q636 A637 A643	M588-F639 HydrophobicContact CE-CB 4.49Å; M588-F639 HydrophobicContact CG-CB 4.15Å; Q636-F639 HydrophobicContact CB-CD2 4.01Å; Q636-F639 HydrophobicContact CB-CE2 4.48Å; Q636-F639 WeakPolarHBondContact O-CD2 3.35Å; Q636-F639 PolarHBondContact O-N 3.04Å; A637-F639 PolarHBondContact O-N 2.97Å; F639-A643 WeakPolarHBondContact O-CB 3.28Å; F639-A643 PolarHBondContact O-N 3.14Å
640	L	93.3	Very high	92.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-44.4	175.3	-162.2	66.1	0	0	0	110.8	Q214 L218 L581 Y585 M588 A637 A643 L644	Q214-L640 HydrophobicContact CB-CD2 4.1Å; L218-L640 HydrophobicContact CD1-CD2 4.02Å; L218-L640 HydrophobicContact CD1-CG 4.43Å; L218-L640 HydrophobicContact CD2-CD2 4.43Å; L218-L640 HydrophobicContact CD2-CG 4.43Å; L218-L640 HydrophobicContact CG-CD2 4.45Å; L581-L640 HydrophobicContact CD2-CD1 4.01Å; L581-L640 HydrophobicContact CD2-CD2 4.49Å; Y585-L640 HydrophobicContact CD2-CD1 3.81Å; Y585-L640 HydrophobicContact CE2-CD1 3.84Å; Y585-L640 HydrophobicContact CE2-CD2 4.26Å; Y585-L640 HydrophobicContact CG-CD1 4.41Å; M588-L640 HydrophobicContact CE-CB 3.92Å; A637-L640 VanDerWaalsContact O-CB 3.32Å; A637-L640 WeakPolarHBondContact O-CB 3.31Å; A637-L640 PolarHBondContact O-N 3.21Å; A637-L640 VanDerWaalsContact O-N 3.09Å; L640-A643 PolarHBondContact O-N 2.71Å; L640-L644 HydrophobicContact CG-CD1 4.31Å; L640-L644 WeakPolarHBondContact O-CB 3.34Å; L640-L644 PolarHBondContact O-N 3.49Å
641	D	94	Very high	91.5	Very high	15 Å²	15	60 Å²	60	8%	0.08	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-50	174.9	-52.3	-26.1	0	0	0	110.7	R217 V221 F222 A637 A643 L644 A645	R217-D641 WeakPolarHBondContact CD-OD1 3.48Å; R217-D641 IonicContact CZ-OD1 3.53Å; R217-D641 IonicContact CZ-OD2 3.75Å; R217-D641 VanDerWaalsContact NE-CG 3.31Å; R217-D641 IonicContact NE-OD1 3.15Å; R217-D641 PolarHBondContact NE-OD1 3.33Å; R217-D641 IonicContact NE-OD2 2.74Å; R217-D641 PolarHBondContact NE-OD2 2.92Å; R217-D641 IonicContact NH2-OD2 3.5Å; R217-D641 PolarHBondContact NH2-OD2 3.35Å; V221-D641 HydrophobicContact CG1-CB 4.13Å; F222-D641 WeakPolarHBondContact CZ-O 3.48Å; A637-D641 PolarHBondContact O-N 2.87Å; D641-A643 PolarHBondContact O-N 3.07Å; D641-L644 PolarHBondContact O-N 3.21Å; D641-A645 WeakPolarHBondContact O-CB 3.29Å; D641-A645 PolarHBondContact O-N 3.46Å
642	R	93.5	Very high	90.6	Very high	187 Å²	187	58.1 Å²	58.1	71%	0.706	29%	0.29	S	S	*	.	H	α-helix	trans	-62.1	-41.1	-179	-176.5	175.4	-178.3	157	4.2	112.7	S638 L646	S638-R642 WeakPolarHBondContact O-CB 3.38Å; S638-R642 PolarHBondContact O-N 2.94Å; R642-L646 WeakPolarHBondContact O-CG 3.33Å; R642-L646 PolarHBondContact O-N 3.13Å
643	A	94	Very high	89.9	Confident	9 Å²	9	60 Å²	60	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-38.4	177.3	0	0	0	0	0	112.1	G580 E583 G584 F639 L640 D641 R647	G580-A643 WeakPolarHBondContact O-CB 3.4Å; E583-A643 HydrophobicContact CB-CB 4.19Å; G584-A643 VanDerWaalsContact CA-CB 3.45Å; F639-A643 WeakPolarHBondContact O-CB 3.28Å; F639-A643 PolarHBondContact O-N 3.14Å; L640-A643 PolarHBondContact O-N 2.71Å; D641-A643 PolarHBondContact O-N 3.07Å; A643-R647 WeakPolarHBondContact O-CG 3.48Å; A643-R647 PolarHBondContact O-N 3.33Å
644	L	93.8	Very high	88.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-76.7	-35.4	178.6	-76	166	0	0	0	113.1	L218 F222 L577 L581 L640 D641 L646 R647 L648	L218-L644 HydrophobicContact CD1-CD1 3.44Å; L218-L644 VanDerWaalsContact CD1-CD1 3.44Å; L218-L644 HydrophobicContact CD2-CD1 3.55Å; L218-L644 HydrophobicContact CG-CD1 4.1Å; F222-L644 HydrophobicContact CD2-CB 4.39Å; F222-L644 HydrophobicContact CE2-CB 3.64Å; F222-L644 HydrophobicContact CZ-CB 4.01Å; L577-L644 HydrophobicContact CD1-CD1 4.32Å; L577-L644 HydrophobicContact CD1-CD2 3.74Å; L581-L644 HydrophobicContact CD2-CD1 4.22Å; L640-L644 HydrophobicContact CG-CD1 4.31Å; L640-L644 WeakPolarHBondContact O-CB 3.34Å; L640-L644 PolarHBondContact O-N 3.49Å; D641-L644 PolarHBondContact O-N 3.21Å; L644-L646 VanDerWaalsContact C-N 3.27Å; L644-L646 PolarHBondContact O-N 2.89Å; L644-R647 PolarHBondContact O-N 3Å; L644-L648 HydrophobicContact CB-CD1 4.14Å; L644-L648 HydrophobicContact CD2-CD1 4.32Å; L644-L648 HydrophobicContact CD2-CG 4.46Å; L644-L648 WeakPolarHBondContact O-CB 3.43Å; L644-L648 WeakPolarHBondContact O-CG 3.48Å; L644-L648 PolarHBondContact O-N 2.73Å
645	A	92.6	Very high	86.6	Confident	22 Å²	22	67 Å²	67	18%	0.182	34%	0.336	C	S	.	.	H	α-helix	trans	-56.9	-43.4	172.7	0	0	0	0	0	111.6	F222 D641 R647 E649 Q650 A652	F222-A645 HydrophobicContact CE1-CB 3.91Å; F222-A645 HydrophobicContact CZ-CB 3.89Å; D641-A645 WeakPolarHBondContact O-CB 3.29Å; D641-A645 PolarHBondContact O-N 3.46Å; A645-R647 VanDerWaalsContact C-N 3.27Å; A645-R647 PolarHBondContact O-N 3.32Å; A645-E649 PolarHBondContact O-N 3.01Å; A645-Q650 VanDerWaalsContact CA-O 3.3Å; A645-Q650 WeakPolarHBondContact CA-O 3.48Å; A645-Q650 WeakPolarHBondContact CB-O 3.49Å; A645-A652 HydrophobicContact CB-CB 4.36Å
646	L	91.3	Very high	84.4	Confident	129 Å²	129	71.1 Å²	71.1	68%	0.675	35%	0.354	S	S	*	.	H	α-helix	trans	-67.7	-19.9	176	-71	174.4	0	0	0	114.5	R642 L644	R642-L646 WeakPolarHBondContact O-CG 3.33Å; R642-L646 PolarHBondContact O-N 3.13Å; L644-L646 VanDerWaalsContact C-N 3.27Å; L644-L646 PolarHBondContact O-N 2.89Å
647	R	90.7	Very high	81.8	Confident	50 Å²	50	75.3 Å²	75.3	19%	0.189	38%	0.378	C	S	.	.	H	α-helix	trans	-106.8	-24.8	-177	-67.2	-60.5	-172.8	173.1	1.8	113.9	Q576 M579 E583 A643 L644 A645	Q576-R647 HydrophobicContact CB-CB 4.39Å; Q576-R647 VanDerWaalsContact CB-O 3.25Å; Q576-R647 WeakPolarHBondContact CB-O 3.21Å; Q576-R647 WeakPolarHBondContact CG-O 3.25Å; Q576-R647 PolarHBondContact NE2-O 3.21Å; Q576-R647 VanDerWaalsContact NE2-O 3.11Å; M579-R647 HydrophobicContact CG-CG 4.2Å; E583-R647 VanDerWaalsContact CD-NH2 3.3Å; E583-R647 IonicContact OE1-NH2 2.75Å; E583-R647 PolarHBondContact OE1-NH2 3.21Å; E583-R647 IonicContact OE2-CZ 3.41Å; E583-R647 IonicContact OE2-NE 2.69Å; E583-R647 PolarHBondContact OE2-NE 2.87Å; E583-R647 IonicContact OE2-NH2 3.2Å; E583-R647 PolarHBondContact OE2-NH2 2.82Å; A643-R647 WeakPolarHBondContact O-CG 3.48Å; A643-R647 PolarHBondContact O-N 3.33Å; L644-R647 PolarHBondContact O-N 3Å; A645-R647 VanDerWaalsContact C-N 3.27Å; A645-R647 PolarHBondContact O-N 3.32Å
648	L	89	Confident	79.1	Confident	31 Å²	31	78.1 Å²	78.1	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-94.8	-5.2	176.4	-60.6	174	0	0	0	112.6	F222 A225 L226 Q576 L644 Q650	F222-L648 HydrophobicContact CB-CD1 4.36Å; F222-L648 HydrophobicContact CD1-CD1 4.38Å; F222-L648 HydrophobicContact CD2-CD1 4.15Å; F222-L648 HydrophobicContact CG-CD1 4.04Å; A225-L648 HydrophobicContact CB-CD1 4.29Å; L226-L648 HydrophobicContact CD1-CD1 3.97Å; L226-L648 HydrophobicContact CD2-CD1 4.34Å; L226-L648 HydrophobicContact CG-CD1 4.19Å; Q576-L648 HydrophobicContact CB-CD2 4.17Å; L644-L648 HydrophobicContact CB-CD1 4.14Å; L644-L648 HydrophobicContact CD2-CD1 4.32Å; L644-L648 HydrophobicContact CD2-CG 4.46Å; L644-L648 WeakPolarHBondContact O-CB 3.43Å; L644-L648 WeakPolarHBondContact O-CG 3.48Å; L644-L648 PolarHBondContact O-N 2.73Å; L648-Q650 PolarHBondContact O-N 2.86Å; L648-Q650 VanDerWaalsContact O-N 3.09Å
649	E	86	Confident	76.1	Confident	175 Å²	175	79.6 Å²	79.6	82%	0.818	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	23.7	-177.5	-62.9	173.4	-151.9	0	0	113.3	A645	A645-E649 PolarHBondContact O-N 3.01Å
650	Q	83.6	Confident	73	Confident	29 Å²	29	77.1 Å²	77.1	14%	0.136	40%	0.401	C	S	.	.			trans	-112.6	134.6	177.7	-165.3	-164.8	-34.1	0	0	109.3	F222 A645 L648 A652	F222-Q650 HydrophobicContact CD1-CB 4.11Å; F222-Q650 HydrophobicContact CD1-CG 4.32Å; A645-Q650 VanDerWaalsContact CA-O 3.3Å; A645-Q650 WeakPolarHBondContact CA-O 3.48Å; A645-Q650 WeakPolarHBondContact CB-O 3.49Å; L648-Q650 PolarHBondContact O-N 2.86Å; L648-Q650 VanDerWaalsContact O-N 3.09Å; Q650-A652 PolarHBondContact O-N 3.21Å
651	E	78	Confident	70.3	Confident	177 Å²	177	79.4 Å²	79.4	83%	0.827	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-61.7	136.8	166.6	-67.5	-162.4	149.8	0	0	110.4	E653	E651-E653 PolarHBondContact O-N 3.11Å
652	A	77.1	Confident	67.6	Low	43 Å²	43	80.4 Å²	80.4	36%	0.355	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.3	116.4	172.8	0	0	0	0	0	109.2	V221 F222 A645 Q650 N654	V221-A652 HydrophobicContact CG1-CB 3.53Å; F222-A652 HydrophobicContact CE1-CB 3.98Å; F222-A652 HydrophobicContact CZ-CB 3.97Å; A645-A652 HydrophobicContact CB-CB 4.36Å; Q650-A652 PolarHBondContact O-N 3.21Å; A652-N654 PolarHBondContact O-N 3.42Å
653	E	78.7	Confident	64.6	Low	86 Å²	86	72.6 Å²	72.6	40%	0.402	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-58	140.1	175.2	-70.5	-176.1	-159.4	0	0	109.7	V221 P223 E651 V655	V221-E653 PolarHBondContact O-N 3.45Å; P223-E653 VanDerWaalsContact CD-OE1 3.29Å; P223-E653 WeakPolarHBondContact CD-OE1 3.46Å; P223-E653 VanDerWaalsContact CG-CD 3.46Å; P223-E653 WeakPolarHBondContact CG-OE1 3.38Å; P223-E653 WeakPolarHBondContact CG-OE2 3.37Å; E651-E653 PolarHBondContact O-N 3.11Å; E653-V655 WeakPolarHBondContact O-CG2 3.25Å; E653-V655 PolarHBondContact O-N 2.8Å
654	N	60.3	Low	61.9	Low	137 Å²	137	77.8 Å²	77.8	73%	0.733	42%	0.424	S	S	*	.			trans	-77.3	74.6	-167.2	-163.9	-18.6	0	0	0	112	A652 Q656	A652-N654 PolarHBondContact O-N 3.42Å; N654-Q656 PolarHBondContact O-N 3.23Å; N654-Q656 WeakPolarHBondContact OD1-CG 3.23Å
655	V	56.9	Low	59.3	Low	29 Å²	29	79.2 Å²	79.2	18%	0.176	43%	0.431	C	S	.	.			trans	-69.9	68.4	174.3	175.8	0	0	0	0	108.9	R220 V221 E653 N657 I658	R220-V655 HydrophobicContact CB-CG2 4.24Å; V221-V655 HydrophobicContact CG2-CB 4.2Å; V221-V655 HydrophobicContact CG2-CG2 3.81Å; E653-V655 WeakPolarHBondContact O-CG2 3.25Å; E653-V655 PolarHBondContact O-N 2.8Å; V655-N657 PolarHBondContact O-N 3.13Å; V655-I658 HydrophobicContact CB-CD1 4.39Å; V655-I658 HydrophobicContact CG1-CD1 3.68Å; V655-I658 HydrophobicContact CG1-CG1 3.81Å
656	Q	46.5	Very low	56.5	Low	153 Å²	153	80.9 Å²	80.9	72%	0.715	45%	0.445	S	S	*	.			trans	-53.9	106	173.9	-71.1	-170.6	-1.5	0	0	109.9	N654 I658	N654-Q656 PolarHBondContact O-N 3.23Å; N654-Q656 WeakPolarHBondContact OD1-CG 3.23Å; Q656-I658 VanDerWaalsContact C-N 3.26Å; Q656-I658 VanDerWaalsContact O-CA 3.29Å; Q656-I658 WeakPolarHBondContact O-CA 3.39Å; Q656-I658 WeakPolarHBondContact O-CG1 3.41Å; Q656-I658 PolarHBondContact O-N 2.95Å
657	N	39.1	Very low	53.7	Low	144 Å²	144	78.6 Å²	78.6	77%	0.77	44%	0.44	S	S	*	.			trans	14.7	61.5	173.6	-73.1	-15.6	0	0	0	115.5	V655 S659	V655-N657 PolarHBondContact O-N 3.13Å; N657-S659 PolarHBondContact O-N 2.95Å
658	I	36.2	Very low	50.9	Low	63 Å²	63	82.6 Å²	82.6	32%	0.323	46%	0.459	S	S	.	.			trans	-62.9	107.5	-160.4	-64.6	-173	0	0	0	111	V655 Q656 G660 G663	V655-I658 HydrophobicContact CB-CD1 4.39Å; V655-I658 HydrophobicContact CG1-CD1 3.68Å; V655-I658 HydrophobicContact CG1-CG1 3.81Å; Q656-I658 VanDerWaalsContact C-N 3.26Å; Q656-I658 VanDerWaalsContact O-CA 3.29Å; Q656-I658 WeakPolarHBondContact O-CA 3.39Å; Q656-I658 WeakPolarHBondContact O-CG1 3.41Å; Q656-I658 PolarHBondContact O-N 2.95Å; I658-G660 PolarHBondContact O-N 2.98Å; I658-G663 WeakPolarHBondContact O-CA 3.26Å; I658-G663 PolarHBondContact O-N 2.98Å
659	S	30	Very low	48.3	Very low	105 Å²	105	83 Å²	83	73%	0.734	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	31.4	174.4	44.7	0	0	0	0	113.6	N657	N657-S659 PolarHBondContact O-N 2.95Å
660	G	28.2	Very low	45.8	Very low	36 Å²	36	79 Å²	79	37%	0.371	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.9	97.5	172.4	0	0	0	0	0	108.9	R220 I658	R220-G660 PolarHBondContact NH1-O 3.48Å; I658-G660 PolarHBondContact O-N 2.98Å
661	S	36.6	Very low	43.4	Very low	47 Å²	47	80.8 Å²	80.8	33%	0.329	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-5.5	178.1	-164.5	0	0	0	0	118.7	M665	S661-M665 WeakPolarHBondContact O-CE 3.28Å
662	V	37.1	Very low	41.1	Very low	36 Å²	36	79 Å²	79	22%	0.218	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-40	172.5	-169.3	0	0	0	0	114.5	L634 E664 M665	L634-V662 HydrophobicContact CD2-CG1 4.26Å; V662-E664 VanDerWaalsContact C-N 3.33Å; V662-E664 PolarHBondContact O-N 3.05Å; V662-M665 HydrophobicContact CB-CE 4.49Å; V662-M665 HydrophobicContact CG1-CE 4.5Å; V662-M665 WeakPolarHBondContact O-CB 3.36Å; V662-M665 VanDerWaalsContact O-CG 3.27Å; V662-M665 WeakPolarHBondContact O-CG 3.5Å; V662-M665 PolarHBondContact O-N 3.48Å; V662-M665 VanDerWaalsContact O-N 3.14Å
663	G	31.8	Very low	38.8	Very low	23 Å²	23	84.9 Å²	84.9	24%	0.237	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.5	-170.8	0	0	0	0	0	115.6	I658 M665	I658-G663 WeakPolarHBondContact O-CA 3.26Å; I658-G663 PolarHBondContact O-N 2.98Å; G663-M665 PolarHBondContact O-N 3.1Å
664	E	35.8	Very low	36.6	Very low	119 Å²	119	86.8 Å²	86.8	56%	0.556	52%	0.518	S	S	*	.	H	α-helix	trans	-69.1	-10.7	177.4	-64.1	175.6	123.5	0	0	113.5	V662 S667	V662-E664 VanDerWaalsContact C-N 3.33Å; V662-E664 PolarHBondContact O-N 3.05Å; E664-S667 PolarHBondContact O-OG 3.07Å
665	M	39.9	Very low	35	Very low	29 Å²	29	88 Å²	88	14%	0.143	52%	0.523	C	S	.	.	H	α-helix	trans	-77.7	-25.4	-176.6	-56.8	-171.6	-156.3	0	0	113.7	N101 L634 S661 V662 G663	N101-M665 HydrophobicContact CB-CE 4.2Å; N101-M665 WeakPolarHBondContact ND2-CG 3.28Å; N101-M665 PolarHBondContact ND2-SD 3.38Å; N101-M665 VanDerWaalsContact OD1-CE 3.26Å; N101-M665 WeakPolarHBondContact OD1-CE 3.41Å; N101-M665 PolarHBondContact OD1-SD 3.46Å; N101-M665 VanDerWaalsContact OD1-SD 3.39Å; L634-M665 HydrophobicContact CD1-SD 3.63Å; L634-M665 HydrophobicContact CD2-SD 3.66Å; L634-M665 HydrophobicContact CG-SD 4.32Å; S661-M665 WeakPolarHBondContact O-CE 3.28Å; V662-M665 HydrophobicContact CB-CE 4.49Å; V662-M665 HydrophobicContact CG1-CE 4.5Å; V662-M665 WeakPolarHBondContact O-CB 3.36Å; V662-M665 VanDerWaalsContact O-CG 3.27Å; V662-M665 WeakPolarHBondContact O-CG 3.5Å; V662-M665 PolarHBondContact O-N 3.48Å; V662-M665 VanDerWaalsContact O-N 3.14Å; G663-M665 PolarHBondContact O-N 3.1Å
666	A	34	Very low	33.7	Very low	57 Å²	57	94.3 Å²	94.3	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-83.6	-33.2	-172.6	0	0	0	0	0	113.3	A669	A666-A669 PolarHBondContact O-N 3.06Å
667	S	31.6	Very low	32.7	Very low	81 Å²	81	90.1 Å²	90.1	57%	0.566	55%	0.554	S	S	*	*	H	α-helix	trans	-70	-33.1	-176.6	43.8	0	0	0	0	113.6	E664 A669	E664-S667 PolarHBondContact O-OG 3.07Å; S667-A669 VanDerWaalsContact C-N 3.3Å; S667-A669 PolarHBondContact O-N 3.48Å
668	F	33.1	Very low	32.3	Very low	134 Å²	134	92.7 Å²	92.7	59%	0.588	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-13.9	176.9	-82.1	-86.7	0	0	0	114.2	A670 S671	F668-A670 VanDerWaalsContact C-N 3.28Å; F668-A670 PolarHBondContact O-N 3.43Å; F668-S671 PolarHBondContact O-OG 3.33Å
669	A	33.9	Very low	31.8	Very low	41 Å²	41	97.5 Å²	97.5	34%	0.339	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-4.4	-178.2	0	0	0	0	0	114.1	A666 S667	A666-A669 PolarHBondContact O-N 3.06Å; S667-A669 VanDerWaalsContact C-N 3.3Å; S667-A669 PolarHBondContact O-N 3.48Å
670	A	34.1	Very low	31.8	Very low	89 Å²	89	102 Å²	102	74%	0.736	60%	0.597	S	S	*	*	S	Bend	trans	-108.9	-11	-173.3	0	0	0	0	0	114.7	F668	F668-A670 VanDerWaalsContact C-N 3.28Å; F668-A670 PolarHBondContact O-N 3.43Å
671	S	32.4	Very low	31.9	Very low	67 Å²	67	105 Å²	105	47%	0.469	61%	0.612	S	S	.	*	S	Bend	trans	-102.3	-12.8	-167.5	50.2	0	0	0	0	115.8	F668 N673	F668-S671 PolarHBondContact O-OG 3.33Å; S671-N673 VanDerWaalsContact C-N 3.26Å; S671-N673 PolarHBondContact O-N 2.86Å; S671-N673 VanDerWaalsContact O-N 3.13Å
672	N	29.6	Very low	31.5	Very low	139 Å²	139	109.3 Å²	109.3	74%	0.743	63%	0.632	S	S	*	*			trans	-89.3	35.3	-170.2	-69.1	4.2	0	0	0	114.2
673	N	29.4	Very low	31.5	Very low	167 Å²	167	113.3 Å²	113.3	89%	0.893	66%	0.656	S	S	*	*			trans	-113.1	30.9	-179.6	-103.5	1.4	0	0	0	113.1	S671	S671-N673 VanDerWaalsContact C-N 3.26Å; S671-N673 PolarHBondContact O-N 2.86Å; S671-N673 VanDerWaalsContact O-N 3.13Å
674	T	31.7	Very low	32.4	Very low	126 Å²	126	118.6 Å²	118.6	77%	0.773	68%	0.678	S	S	*	*	S	Bend	trans	-136.1	136.7	166.7	32.1	0	0	0	0	110.4
675	I	27.9	Very low	33.5	Very low	163 Å²	163	117.4 Å²	117.4	84%	0.836	68%	0.675	S	S	*	*			trans	-82.2	115.1	172.9	-60.9	164.6	0	0	0	107.4
676	D	30	Very low	35.2	Very low	161 Å²	161	119.2 Å²	119.2	86%	0.861	69%	0.689	S	S	*	*			trans	-173.3	150.1	134.8	-95.3	-28.7	0	0	0	109.8
677	G	24.8	Very low	37.6	Very low	66 Å²	66	118.5 Å²	118.5	68%	0.68	68%	0.679	S	S	*	*			trans	-99.5	129.7	-161.3	0	0	0	0	0	115.4
678	H	31.2	Very low	40.3	Very low	198 Å²	198	114.6 Å²	114.6	92%	0.917	65%	0.652	S	S	*	*			trans	-148.6	144.3	149.5	-102.9	-78.1	0	0	0	111.2
679	N	25.8	Very low	42.8	Very low	163 Å²	163	108.5 Å²	108.5	87%	0.872	63%	0.626	S	S	*	*			trans	-70	127.2	178.5	-71.6	-49.6	0	0	0	111.7
680	Q	29.4	Very low	45.3	Very low	200 Å²	200	110.4 Å²	110.4	94%	0.935	63%	0.627	S	S	*	*			trans	-150.1	155.3	153.9	-111.8	173.7	30.3	0	0	111.5
681	S	29.8	Very low	47.7	Very low	100 Å²	100	106.2 Å²	106.2	70%	0.699	59%	0.592	S	S	*	*			trans	-142.3	140.4	-156.3	60.8	0	0	0	0	114.1
682	N	28.9	Very low	50	Low	137 Å²	137	105.6 Å²	105.6	73%	0.733	59%	0.586	S	S	*	*			trans	51.9	92.6	157.4	-62.1	-27.2	0	0	0	117.1	L684	N682-L684 VanDerWaalsContact C-N 3.32Å; N682-L684 HydrophobicContact CB-CD1 4.04Å; N682-L684 PolarHBondContact O-N 3.32Å
683	V	35.8	Very low	52.5	Low	120 Å²	120	103.6 Å²	103.6	73%	0.727	58%	0.579	S	S	*	*			trans	-69.3	91	161	-175.5	0	0	0	0	109.5
684	L	51	Low	55	Low	134 Å²	134	97.2 Å²	97.2	70%	0.702	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-84.3	172.9	161.1	-72.5	133.3	0	0	0	109.3	N682	N682-L684 VanDerWaalsContact C-N 3.32Å; N682-L684 HydrophobicContact CB-CD1 4.04Å; N682-L684 PolarHBondContact O-N 3.32Å
685	N	60	Low	57.5	Low	93 Å²	93	95.6 Å²	95.6	50%	0.497	53%	0.531	S	S	.	.	S	Bend	trans	-47.9	133.2	167.8	-74.6	20.6	0	0	0	109.6	V687 V699 L700	N685-V687 PolarHBondContact O-N 2.84Å; N685-V699 HydrophobicContact CB-CB 4.02Å; N685-V699 HydrophobicContact CB-CG1 4.16Å; N685-V699 WeakPolarHBondContact O-CG1 3.22Å; N685-L700 PolarHBondContact ND2-O 3.02Å
686	P	74.2	Confident	60.1	Low	68 Å²	68	89.9 Å²	89.9	44%	0.442	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-56.1	136.8	-173.2	20.4	-32.6	0	0	0	111.7	V688 V758	P686-V688 PolarHBondContact O-N 3.44Å; P686-V758 HydrophobicContact CB-CG1 4.28Å; P686-V758 HydrophobicContact CG-CB 3.97Å; P686-V758 HydrophobicContact CG-CG1 4.09Å; P686-V758 HydrophobicContact CG-CG2 4.2Å
687	V	84.8	Confident	62.8	Low	41 Å²	41	82.6 Å²	82.6	25%	0.248	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	105.5	-176.1	172.3	0	0	0	0	108.7	N685 A689 G697 L786	N685-V687 PolarHBondContact O-N 2.84Å; V687-A689 VanDerWaalsContact C-N 3.32Å; V687-A689 WeakPolarHBondContact CG1-O 3.43Å; V687-A689 PolarHBondContact O-N 3.49Å; V687-G697 VanDerWaalsContact CG1-CA 3.41Å; V687-L786 HydrophobicContact CG1-CD2 4.32Å
688	V	87.7	Confident	65.9	Low	0 Å²	0	79.4 Å²	79.4	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-35.5	-174.4	-170.6	0	0	0	0	111.4	P686 L698 L735 V758 P788 L789 L791 F819	P686-V688 PolarHBondContact O-N 3.44Å; V688-L698 PolarHBondContact N-O 3.14Å; V688-L735 HydrophobicContact CB-CD2 4.28Å; V688-L735 HydrophobicContact CG1-CD1 4.32Å; V688-L735 HydrophobicContact CG1-CD2 4.46Å; V688-L735 HydrophobicContact CG2-CD2 3.77Å; V688-V758 HydrophobicContact CG2-CB 4.46Å; V688-V758 HydrophobicContact CG2-CG1 3.95Å; V688-V758 HydrophobicContact CG2-CG2 3.6Å; V688-P788 CarbonylContact O-C 3.6Å; V688-P788 VanDerWaalsContact O-CA 3.28Å; V688-P788 WeakPolarHBondContact O-CA 3.4Å; V688-L789 HydrophobicContact CG1-CB 4.45Å; V688-L789 PolarHBondContact O-N 2.76Å; V688-L791 HydrophobicContact CG1-CD1 4.46Å; V688-L791 HydrophobicContact CG1-CD2 3.68Å; V688-L791 HydrophobicContact CG1-CG 4.17Å; V688-L791 HydrophobicContact CG2-CD2 4.31Å; V688-F819 HydrophobicContact CG1-CE2 4.21Å
689	A	87.4	Confident	68.7	Low	6 Å²	6	70.6 Å²	70.6	5%	0.05	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	172.8	170.7	0	0	0	0	0	108.6	V687 L698 P788 F819	V687-A689 VanDerWaalsContact C-N 3.32Å; V687-A689 WeakPolarHBondContact CG1-O 3.43Å; V687-A689 PolarHBondContact O-N 3.49Å; A689-L698 HydrophobicContact CB-CD1 4.41Å; A689-L698 WeakPolarHBondContact O-CB 3.17Å; A689-L698 PolarHBondContact O-N 3.49Å; A689-P788 HydrophobicContact CB-CB 4.01Å; A689-P788 HydrophobicContact CB-CG 4Å; A689-F819 HydrophobicContact CB-CD2 4.37Å; A689-F819 HydrophobicContact CB-CE1 4.09Å; A689-F819 HydrophobicContact CB-CE2 3.67Å; A689-F819 HydrophobicContact CB-CZ 3.51Å
690	F	85.8	Confident	71.8	Confident	81 Å²	81	63.6 Å²	63.6	36%	0.355	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	144.7	165.8	-69.5	-72.6	0	0	0	111.5	H695 I774 L786	F690-H695 WeakPolarHBondContact CD1-O 3.24Å; F690-I774 HydrophobicContact CB-CD1 4.37Å; F690-I774 HydrophobicContact CD2-CD1 3.71Å; F690-L786 HydrophobicContact CE2-CB 3.88Å; F690-L786 HydrophobicContact CE2-CD2 3.95Å; F690-L786 HydrophobicContact CZ-CD2 4.16Å
691	C	84.1	Confident	74.7	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	33%	0.331	C	S	.	.			trans	-79.4	132.1	178.4	171.6	0	0	0	0	111.4	T693 C694 H695 S696 L698 C737 Y745	C691-T693 PolarHBondContact O-N 2.86Å; C691-T693 PolarHBondContact SG-N 2.92Å; C691-T693 VanDerWaalsContact SG-N 3.43Å; C691-C694 WeakPolarHBondContact CB-SG 3.44Å; C691-C694 PolarHBondContact O-N 2.81Å; C691-C694 PolarHBondContact SG-SG 2.82Å; C691-H695 WeakPolarHBondContact O-CA 3.38Å; C691-H695 PolarHBondContact O-N 2.87Å; C691-S696 VanDerWaalsContact CB-O 3.25Å; C691-S696 WeakPolarHBondContact CB-O 3.3Å; C691-S696 PolarHBondContact N-O 3.48Å; C691-L698 HydrophobicContact CB-CD2 3.56Å; C691-L698 HydrophobicContact CB-CG 3.81Å; C691-C737 HydrophobicContact CB-CB 4.1Å; C691-Y745 WeakPolarHBondContact SG-CB 3.32Å; C691-Y745 VanDerWaalsContact SG-CG 3.5Å
692	P	80.6	Confident	77.4	Confident	53 Å²	53	58.1 Å²	58.1	34%	0.344	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.1	-177.6	30.7	-37.6	0	0	0	114.6	Y745	P692-Y745 HydrophobicContact CG-CD2 4.21Å; P692-Y745 HydrophobicContact CG-CE1 4.26Å; P692-Y745 HydrophobicContact CG-CE2 3.55Å
693	T	81.5	Confident	79.7	Confident	97 Å²	97	57.6 Å²	57.6	60%	0.595	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-32.7	178.8	-47.2	0	0	0	0	113.4	C691 Y745	C691-T693 PolarHBondContact O-N 2.86Å; C691-T693 PolarHBondContact SG-N 2.92Å; C691-T693 VanDerWaalsContact SG-N 3.43Å; T693-Y745 VanDerWaalsContact OG1-CD2 3.32Å; T693-Y745 WeakPolarHBondContact OG1-CD2 3.31Å
694	C	83.4	Confident	80.8	Confident	34 Å²	34	59.4 Å²	59.4	23%	0.23	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-9.6	-173.7	66	0	0	0	0	113.9	C691 S696 C737 C743	C691-C694 WeakPolarHBondContact CB-SG 3.44Å; C691-C694 PolarHBondContact O-N 2.81Å; C691-C694 PolarHBondContact SG-SG 2.82Å; C694-S696 PolarHBondContact O-N 3.1Å; C694-S696 PolarHBondContact O-OG 3.2Å; C694-S696 VanDerWaalsContact SG-CB 3.56Å; C694-S696 PolarHBondContact SG-N 2.85Å; C694-S696 VanDerWaalsContact SG-N 3.44Å; C694-S696 PolarHBondContact SG-OG 3.26Å; C694-C737 HydrophobicContact CB-CB 4.48Å; C694-C737 WeakPolarHBondContact CB-SG 3.41Å; C694-C737 WeakPolarHBondContact SG-CB 3.32Å; C694-C737 CovalentContact SG-SG 2.05Å; C694-C737 PolarHBondContact SG-SG 3.08Å; C694-C743 HydrophobicContact CB-CB 3.61Å
695	H	83.3	Confident	80.4	Confident	92 Å²	92	56.4 Å²	56.4	43%	0.426	29%	0.293	S	S	.	.	S	Bend	trans	49.5	8.6	-167.3	-59.3	-79.8	0	0	0	115.3	F690 C691	F690-H695 WeakPolarHBondContact CD1-O 3.24Å; C691-H695 WeakPolarHBondContact O-CA 3.38Å; C691-H695 PolarHBondContact O-N 2.87Å
696	S	83.7	Confident	79.3	Confident	43 Å²	43	56.5 Å²	56.5	30%	0.301	31%	0.306	S	S	.	.	S	Bend	trans	-84.3	157.4	168.5	-30.8	0	0	0	0	109.4	C691 C694 S738	C691-S696 VanDerWaalsContact CB-O 3.25Å; C691-S696 WeakPolarHBondContact CB-O 3.3Å; C691-S696 PolarHBondContact N-O 3.48Å; C694-S696 PolarHBondContact O-N 3.1Å; C694-S696 PolarHBondContact O-OG 3.2Å; C694-S696 VanDerWaalsContact SG-CB 3.56Å; C694-S696 PolarHBondContact SG-N 2.85Å; C694-S696 VanDerWaalsContact SG-N 3.44Å; C694-S696 PolarHBondContact SG-OG 3.26Å; S696-S738 VanDerWaalsContact CB-OG 3.27Å; S696-S738 WeakPolarHBondContact CB-OG 3.5Å
697	G	85.5	Confident	77.3	Confident	7 Å²	7	61.4 Å²	61.4	7%	0.072	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	139.4	-177.7	0	0	0	0	0	113.8	V687 S738	V687-G697 VanDerWaalsContact CG1-CA 3.41Å; G697-S738 PolarHBondContact N-OG 3.42Å; G697-S738 VanDerWaalsContact O-CB 3.29Å; G697-S738 WeakPolarHBondContact O-CB 3.34Å; G697-S738 PolarHBondContact O-N 3.33Å; G697-S738 PolarHBondContact O-OG 3.44Å
698	L	89.3	Confident	74.6	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.5	165.2	-67.4	174.4	0	0	0	109.2	V688 A689 C691 S736 Y745 F819	V688-L698 PolarHBondContact N-O 3.14Å; A689-L698 HydrophobicContact CB-CD1 4.41Å; A689-L698 WeakPolarHBondContact O-CB 3.17Å; A689-L698 PolarHBondContact O-N 3.49Å; C691-L698 HydrophobicContact CB-CD2 3.56Å; C691-L698 HydrophobicContact CB-CG 3.81Å; L698-S736 WeakPolarHBondContact CA-O 3.38Å; L698-Y745 HydrophobicContact CD1-CE1 4.28Å; L698-Y745 HydrophobicContact CD2-CD1 3.69Å; L698-Y745 HydrophobicContact CD2-CE1 3.99Å; L698-F819 HydrophobicContact CD1-CE1 4.09Å; L698-F819 HydrophobicContact CD1-CZ 3.97Å
699	V	90.6	Very high	71.9	Confident	13 Å²	13	75.7 Å²	75.7	8%	0.079	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.2	179.7	-63.1	0	0	0	0	111.4	N685 L735 S736	N685-V699 HydrophobicContact CB-CB 4.02Å; N685-V699 HydrophobicContact CB-CG1 4.16Å; N685-V699 WeakPolarHBondContact O-CG1 3.22Å; V699-L735 WeakPolarHBondContact O-CA 3.32Å; V699-S736 PolarHBondContact N-O 3.05Å; V699-S736 PolarHBondContact O-N 2.92Å; V699-S736 PolarHBondContact O-OG 3.01Å
700	L	92.4	Very high	69.2	Low	16 Å²	16	83.8 Å²	83.8	8%	0.084	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.1	176.1	-174.4	67.1	0	0	0	111.3	N685 W733 L735 F749 V756 V758	N685-L700 PolarHBondContact ND2-O 3.02Å; L700-W733 HydrophobicContact CD1-CE3 4.15Å; L700-W733 HydrophobicContact CD2-CE3 4.14Å; L700-W733 HydrophobicContact CD2-CZ3 4.11Å; L700-W733 HydrophobicContact CG-CE3 4.09Å; L700-W733 HydrophobicContact CG-CZ3 4.35Å; L700-L735 HydrophobicContact CB-CD2 3.9Å; L700-L735 HydrophobicContact CD1-CD2 3.8Å; L700-L735 HydrophobicContact CG-CD2 4.48Å; L700-F749 HydrophobicContact CD1-CE2 4.22Å; L700-V756 HydrophobicContact CD1-CB 4.03Å; L700-V756 HydrophobicContact CD1-CG1 3.64Å; L700-V756 HydrophobicContact CD2-CB 4.05Å; L700-V756 HydrophobicContact CD2-CG1 3.7Å; L700-V756 WeakPolarHBondContact CD2-O 3.46Å; L700-V756 HydrophobicContact CG-CG1 4.35Å; L700-V758 HydrophobicContact CB-CG2 3.88Å; L700-V758 HydrophobicContact CD2-CG2 3.91Å
701	R	89.8	Confident	66.7	Low	93 Å²	93	85.6 Å²	85.6	35%	0.351	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	161.6	177.5	-56	-168.3	-161.4	-144.6	5.1	110.4	F734 S736	R701-F734 HydrophobicContact CB-CD1 4.25Å; R701-F734 HydrophobicContact CB-CD2 4.31Å; R701-F734 HydrophobicContact CB-CE1 3.78Å; R701-F734 HydrophobicContact CB-CE2 3.85Å; R701-F734 HydrophobicContact CB-CZ 3.56Å; R701-F734 HydrophobicContact CG-CE2 4.3Å; R701-F734 HydrophobicContact CG-CZ 4.33Å; R701-F734 PolarHBondContact N-O 2.73Å; R701-F734 PolarHBondContact O-N 3.02Å; R701-F734 VanDerWaalsContact O-O 3.11Å; R701-S736 WeakPolarHBondContact CD-OG 3.2Å; R701-S736 PolarHBondContact NE-OG 3.23Å
702	Q	86.7	Confident	64.1	Low	92 Å²	92	92.3 Å²	92.3	43%	0.43	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.1	174	-164.8	-175.8	16.2	0	0	110	R704 G731 W733	Q702-R704 PolarHBondContact O-N 2.99Å; Q702-G731 WeakPolarHBondContact CG-O 3.48Å; Q702-G731 PolarHBondContact NE2-O 2.98Å; Q702-W733 HydrophobicContact CB-CD2 4.35Å; Q702-W733 HydrophobicContact CB-CE3 4.1Å; Q702-W733 HydrophobicContact CB-CZ3 4.23Å; Q702-W733 HydrophobicContact CG-CD2 4.12Å; Q702-W733 HydrophobicContact CG-CE3 4.38Å; Q702-W733 HydrophobicContact CG-CZ2 4.35Å
703	K	77.1	Confident	62	Low	126 Å²	126	95.1 Å²	95.1	55%	0.548	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-70.5	120.7	174.3	-176	-179.2	179.5	-177.8	0	108.8	G731 G732 W748	K703-G731 WeakPolarHBondContact O-CA 3.39Å; K703-G732 VanDerWaalsContact CB-O 3.23Å; K703-G732 WeakPolarHBondContact CB-O 3.48Å; K703-G732 PolarHBondContact N-O 3.33Å; K703-W748 HydrophobicContact CB-CZ3 4.41Å; K703-W748 HydrophobicContact CD-CZ3 4.29Å
704	R	58.4	Low	59.7	Low	158 Å²	158	95.7 Å²	95.7	60%	0.596	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-82.1	129.9	173.3	-64.5	-172.4	-169.7	143.4	6.5	110.3	S96 Q702 A706	S96-R704 PolarHBondContact OG-NH1 3.37Å; S96-R704 PolarHBondContact OG-NH2 3.39Å; S96-R704 VanDerWaalsContact OG-NH2 3.09Å; Q702-R704 PolarHBondContact O-N 2.99Å; R704-A706 PolarHBondContact O-N 3.14Å
705	S	42.9	Very low	57.5	Low	70 Å²	70	101 Å²	101	49%	0.49	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-62.4	127.2	166.6	-57.6	0	0	0	0	109	L707 S729	S705-L707 PolarHBondContact O-N 2.69Å; S705-L707 VanDerWaalsContact O-N 3.07Å; S705-S729 PolarHBondContact OG-O 3.02Å; S705-S729 VanDerWaalsContact OG-O 3.14Å
706	A	35.9	Very low	55.2	Low	95 Å²	95	103.6 Å²	103.6	79%	0.785	56%	0.563	S	S	*	*			trans	-79.6	94.9	-171	0	0	0	0	0	111.3	R704 R708	R704-A706 PolarHBondContact O-N 3.14Å; A706-R708 PolarHBondContact O-N 3.32Å
707	L	33.2	Very low	52.9	Low	171 Å²	171	105.9 Å²	105.9	90%	0.895	58%	0.58	S	S	*	*			trans	-55.5	106	161.4	-81.8	157	0	0	0	108.8	S705	S705-L707 PolarHBondContact O-N 2.69Å; S705-L707 VanDerWaalsContact O-N 3.07Å
708	R	27	Very low	50.3	Low	231 Å²	231	112.9 Å²	112.9	87%	0.872	62%	0.615	S	S	*	*			trans	-63.3	130.2	172.5	-76.9	-174.3	173.9	-169.5	-0.3	108.8	A706 L710	A706-R708 PolarHBondContact O-N 3.32Å; R708-L710 PolarHBondContact O-N 3.38Å
709	P	32.6	Very low	47.6	Very low	110 Å²	110	120.4 Å²	120.4	71%	0.714	66%	0.655	S	S	*	*			trans	-58.3	130.3	162.3	-20.8	33.1	0	0	0	109.4	T711	P709-T711 VanDerWaalsContact C-N 3.31Å; P709-T711 PolarHBondContact O-N 3.26Å
710	L	30.2	Very low	44.7	Very low	176 Å²	176	125.5 Å²	125.5	92%	0.921	69%	0.692	S	S	*	*			trans	-73.1	84.9	174.7	-81	165.1	0	0	0	109.9	R708 T712	R708-L710 PolarHBondContact O-N 3.38Å; L710-T712 PolarHBondContact O-N 3.23Å
711	T	33.4	Very low	41.8	Very low	120 Å²	120	128.6 Å²	128.6	74%	0.736	73%	0.728	S	S	*	*			trans	-71.6	109.7	168.5	51.2	0	0	0	0	109.3	P709 S713	P709-T711 VanDerWaalsContact C-N 3.31Å; P709-T711 PolarHBondContact O-N 3.26Å; T711-S713 PolarHBondContact O-N 3.43Å; T711-S713 VanDerWaalsContact O-N 3.13Å
712	T	29.3	Very low	38.8	Very low	141 Å²	141	129 Å²	129	87%	0.865	75%	0.745	S	S	*	*			trans	-64.5	109.4	174.6	35.7	0	0	0	0	110.6	L710	L710-T712 PolarHBondContact O-N 3.23Å
713	S	35.8	Very low	36	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	76%	0.761	S	S	*	*			trans	-152.8	90.9	171.7	-73.9	0	0	0	0	109.1	T711	T711-S713 PolarHBondContact O-N 3.43Å; T711-S713 VanDerWaalsContact O-N 3.13Å
714	S	33.8	Very low	33.8	Very low	109 Å²	109	134 Å²	134	76%	0.762	77%	0.774	S	S	*	*			trans	-68.4	127.6	170.8	52.7	0	0	0	0	110.5
715	N	36.2	Very low	32.3	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	78%	0.783	S	S	*	*			trans	-168.1	121.3	130.9	-95.8	-17.1	0	0	0	113.5
716	L	35.5	Very low	31.7	Very low	147 Å²	147	136.8 Å²	136.8	77%	0.77	80%	0.8	S	S	*	*			trans	61.8	128.6	146.2	-80.9	74.4	0	0	0	122.7
717	S	34.8	Very low	31.5	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	80%	0.8	S	S	*	*			trans	72.6	107.3	134.3	65.1	0	0	0	0	121.6
718	N	31.5	Very low	31.3	Very low	153 Å²	153	138 Å²	138	82%	0.818	79%	0.794	S	S	*	*				51.6	108.3	121.2	-50.6	0	0	0	0	118.5
719	N	33.2	Very low	31.7	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	79%	0.786	S	S	*	*				-156.6	161.4	93.7	-133.2	-22.9	0	0	0	113.9
720	S	29.7	Very low	32.6	Very low	121 Å²	121	132.9 Å²	132.9	85%	0.846	79%	0.786	S	S	*	*			trans	-69.9	139.9	-179.9	-49.7	0	0	0	0	112.5
721	G	31.1	Very low	34.2	Very low	81 Å²	81	125.1 Å²	125.1	84%	0.835	75%	0.749	S	S	*	*			trans	-165.7	118.9	174.3	0	0	0	0	0	111.2
722	S	27.4	Very low	36.5	Very low	101 Å²	101	119.9 Å²	119.9	71%	0.706	72%	0.718	S	S	*	*			trans	-90.5	159.1	-165.9	54.8	0	0	0	0	115
723	N	27.8	Very low	39.4	Very low	145 Å²	145	114.7 Å²	114.7	78%	0.775	68%	0.683	S	S	*	*			trans	97.3	143.2	150.4	-65.3	-7.7	0	0	0	121.8
724	E	30	Very low	42.2	Very low	177 Å²	177	110.8 Å²	110.8	83%	0.827	65%	0.652	S	S	*	*			trans	72.9	116	155.3	-74.4	173.5	178.8	0	0	121.5
725	V	26	Very low	45	Very low	129 Å²	129	105.6 Å²	105.6	78%	0.782	62%	0.616	S	S	*	*			trans	-73.7	133.7	170	176.9	0	0	0	0	109.3
726	N	31.1	Very low	47.6	Very low	159 Å²	159	99 Å²	99	85%	0.85	58%	0.581	S	S	*	*			trans	-132.9	138.1	165	-106.5	-62.1	0	0	0	111.1
727	Q	30.9	Very low	50.2	Low	166 Å²	166	92 Å²	92	78%	0.776	54%	0.544	S	S	*	.			trans	-95.9	146.9	-164	-65.6	174.9	-10.4	0	0	113.2
728	T	29.4	Very low	52.6	Low	125 Å²	125	90.5 Å²	90.5	77%	0.767	53%	0.533	S	S	*	.			trans	45	86.1	153.6	54.8	0	0	0	0	118.1	N730	T728-N730 VanDerWaalsContact C-N 3.33Å; T728-N730 PolarHBondContact O-N 3.37Å; T728-N730 VanDerWaalsContact O-N 3.09Å
729	S	36.2	Very low	55	Low	100 Å²	100	84.4 Å²	84.4	70%	0.699	51%	0.507	S	S	*	.			trans	-81.7	74.1	164.3	48.1	0	0	0	0	112.3	S705 G731	S705-S729 PolarHBondContact OG-O 3.02Å; S705-S729 VanDerWaalsContact OG-O 3.14Å; S729-G731 PolarHBondContact O-N 2.98Å
730	N	52.2	Low	57	Low	133 Å²	133	83.5 Å²	83.5	71%	0.711	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-60.5	122.2	164.4	-97	-12.1	0	0	0	109.2	T728	T728-N730 VanDerWaalsContact C-N 3.33Å; T728-N730 PolarHBondContact O-N 3.37Å; T728-N730 VanDerWaalsContact O-N 3.09Å
731	G	61.9	Low	59.2	Low	14 Å²	14	81.4 Å²	81.4	14%	0.144	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-72.3	130.8	-172.3	0	0	0	0	0	113.1	Q702 K703 S729	Q702-G731 WeakPolarHBondContact CG-O 3.48Å; Q702-G731 PolarHBondContact NE2-O 2.98Å; K703-G731 WeakPolarHBondContact O-CA 3.39Å; S729-G731 PolarHBondContact O-N 2.98Å
732	G	82.1	Confident	61.6	Low	10 Å²	10	85.1 Å²	85.1	10%	0.103	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-64.2	164.1	-176.7	0	0	0	0	0	115.5	K703	K703-G732 VanDerWaalsContact CB-O 3.23Å; K703-G732 WeakPolarHBondContact CB-O 3.48Å; K703-G732 PolarHBondContact N-O 3.33Å
733	W	91.7	Very high	64.2	Low	32 Å²	32	81 Å²	81	12%	0.121	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	154.6	-169.6	-63.5	84.6	0	0	0	112.9	L700 Q702 F749 I754 H755 V756	L700-W733 HydrophobicContact CD1-CE3 4.15Å; L700-W733 HydrophobicContact CD2-CE3 4.14Å; L700-W733 HydrophobicContact CD2-CZ3 4.11Å; L700-W733 HydrophobicContact CG-CE3 4.09Å; L700-W733 HydrophobicContact CG-CZ3 4.35Å; Q702-W733 HydrophobicContact CB-CD2 4.35Å; Q702-W733 HydrophobicContact CB-CE3 4.1Å; Q702-W733 HydrophobicContact CB-CZ3 4.23Å; Q702-W733 HydrophobicContact CG-CD2 4.12Å; Q702-W733 HydrophobicContact CG-CE3 4.38Å; Q702-W733 HydrophobicContact CG-CZ2 4.35Å; W733-F749 HydrophobicContact CB-CB 4.38Å; W733-F749 HydrophobicContact CB-CD2 3.88Å; W733-F749 HydrophobicContact CB-CG 4.48Å; W733-F749 PolarHBondContact O-N 2.96Å; W733-I754 PolarHBondContact NE1-O 3.04Å; W733-H755 AromaticContact CZ2-CD2 3.62Å; W733-V756 HydrophobicContact CB-CB 4.25Å; W733-V756 HydrophobicContact CB-CG2 3.67Å; W733-V756 HydrophobicContact CD2-CB 4.03Å; W733-V756 HydrophobicContact CD2-CG2 4.21Å; W733-V756 HydrophobicContact CE3-CB 4.05Å; W733-V756 HydrophobicContact CG-CB 4.11Å; W733-V756 HydrophobicContact CG-CG2 3.76Å; W733-V756 WeakPolarHBondContact CZ3-O 3.29Å
734	F	93.1	Very high	67.1	Low	31 Å²	31	84.3 Å²	84.3	14%	0.136	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	149.7	173.6	65.1	-78.5	0	0	0	113.4	R701 I747 W748	R701-F734 HydrophobicContact CB-CD1 4.25Å; R701-F734 HydrophobicContact CB-CD2 4.31Å; R701-F734 HydrophobicContact CB-CE1 3.78Å; R701-F734 HydrophobicContact CB-CE2 3.85Å; R701-F734 HydrophobicContact CB-CZ 3.56Å; R701-F734 HydrophobicContact CG-CE2 4.3Å; R701-F734 HydrophobicContact CG-CZ 4.33Å; R701-F734 PolarHBondContact N-O 2.73Å; R701-F734 PolarHBondContact O-N 3.02Å; R701-F734 VanDerWaalsContact O-O 3.11Å; F734-I747 CarbonylContact C-O 3.53Å; F734-I747 WeakPolarHBondContact CA-O 3.09Å; F734-I747 WeakPolarHBondContact CB-O 3.39Å; F734-W748 HydrophobicContact CB-CD2 3.79Å; F734-W748 HydrophobicContact CB-CE3 3.67Å; F734-W748 HydrophobicContact CB-CG 4.2Å; F734-W748 HydrophobicContact CB-CZ3 4.09Å; F734-W748 AromaticContact CD1-CE3 3.98Å; F734-W748 HydrophobicContact CD1-CE3 3.98Å; F734-W748 AromaticContact CD1-CH2 3.82Å; F734-W748 HydrophobicContact CD1-CH2 3.82Å; F734-W748 AromaticContact CD1-CZ3 3.5Å; F734-W748 HydrophobicContact CD1-CZ3 3.5Å; F734-W748 VanDerWaalsContact CD1-CZ3 3.5Å; F734-W748 HydrophobicContact CD2-CH2 4.4Å; F734-W748 HydrophobicContact CD2-CZ2 4.38Å; F734-W748 AromaticContact CE1-CH2 3.98Å; F734-W748 HydrophobicContact CE1-CH2 3.98Å; F734-W748 HydrophobicContact CE1-CZ3 4.03Å; F734-W748 HydrophobicContact CG-CD2 4.25Å; F734-W748 AromaticContact CG-CE3 3.97Å; F734-W748 HydrophobicContact CG-CE3 3.97Å; F734-W748 HydrophobicContact CG-CH2 4.04Å; F734-W748 HydrophobicContact CG-CZ2 4.32Å; F734-W748 AromaticContact CG-CZ3 3.86Å; F734-W748 HydrophobicContact CG-CZ3 3.86Å; F734-W748 HydrophobicContact CZ-CH2 4.34Å
735	L	92.3	Very high	69.9	Low	0 Å²	0	77.9 Å²	77.9	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	151.8	161.7	-59.7	-178.9	0	0	0	110.1	V688 V699 L700 A746 I747 F749 L791 I818 F819	V688-L735 HydrophobicContact CB-CD2 4.28Å; V688-L735 HydrophobicContact CG1-CD1 4.32Å; V688-L735 HydrophobicContact CG1-CD2 4.46Å; V688-L735 HydrophobicContact CG2-CD2 3.77Å; V699-L735 WeakPolarHBondContact O-CA 3.32Å; L700-L735 HydrophobicContact CB-CD2 3.9Å; L700-L735 HydrophobicContact CD1-CD2 3.8Å; L700-L735 HydrophobicContact CG-CD2 4.48Å; L735-A746 CarbonylContact O-C 3.4Å; L735-A746 WeakPolarHBondContact O-CA 3.37Å; L735-A746 VanDerWaalsContact O-CB 3.28Å; L735-A746 WeakPolarHBondContact O-CB 3.39Å; L735-I747 HydrophobicContact CB-CB 4.28Å; L735-I747 HydrophobicContact CD1-CD1 4.28Å; L735-I747 PolarHBondContact N-O 3.41Å; L735-I747 PolarHBondContact O-N 3.43Å; L735-F749 HydrophobicContact CG-CE2 4.26Å; L735-L791 HydrophobicContact CD1-CD1 4.45Å; L735-I818 HydrophobicContact CD1-CD1 3.59Å; L735-F819 HydrophobicContact CD1-CZ 4.27Å
736	S	91.9	Very high	72.9	Confident	6 Å²	6	73.4 Å²	73.4	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	148.9	177.5	48.6	0	0	0	0	112.8	L698 V699 R701 S738 Y745	L698-S736 WeakPolarHBondContact CA-O 3.38Å; V699-S736 PolarHBondContact N-O 3.05Å; V699-S736 PolarHBondContact O-N 2.92Å; V699-S736 PolarHBondContact O-OG 3.01Å; R701-S736 WeakPolarHBondContact CD-OG 3.2Å; R701-S736 PolarHBondContact NE-OG 3.23Å; S736-S738 PolarHBondContact O-N 2.9Å; S736-Y745 WeakPolarHBondContact CA-O 3.4Å
737	C	89	Confident	75.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	130.9	172	173.4	0	0	0	0	110	C691 C694 G739 Y740 C743 Y745	C691-C737 HydrophobicContact CB-CB 4.1Å; C694-C737 HydrophobicContact CB-CB 4.48Å; C694-C737 WeakPolarHBondContact CB-SG 3.41Å; C694-C737 WeakPolarHBondContact SG-CB 3.32Å; C694-C737 CovalentContact SG-SG 2.05Å; C694-C737 PolarHBondContact SG-SG 3.08Å; C737-G739 PolarHBondContact O-N 3.4Å; C737-G739 PolarHBondContact SG-N 2.78Å; C737-Y740 WeakPolarHBondContact O-CB 3.31Å; C737-Y740 PolarHBondContact O-N 2.87Å; C737-Y740 VanDerWaalsContact O-N 3.11Å; C737-C743 HydrophobicContact CB-CB 3.87Å; C737-C743 WeakPolarHBondContact SG-CB 3.36Å; C737-Y745 PolarHBondContact N-O 2.91Å
738	S	86.4	Confident	78.8	Confident	59 Å²	59	65.3 Å²	65.3	41%	0.413	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.2	172.4	41.5	0	0	0	0	112.8	S696 G697 S736 Y740	S696-S738 VanDerWaalsContact CB-OG 3.27Å; S696-S738 WeakPolarHBondContact CB-OG 3.5Å; G697-S738 PolarHBondContact N-OG 3.42Å; G697-S738 VanDerWaalsContact O-CB 3.29Å; G697-S738 WeakPolarHBondContact O-CB 3.34Å; G697-S738 PolarHBondContact O-N 3.33Å; G697-S738 PolarHBondContact O-OG 3.44Å; S736-S738 PolarHBondContact O-N 2.9Å; S738-Y740 PolarHBondContact O-N 3.49Å; S738-Y740 VanDerWaalsContact O-N 3.15Å
739	G	81.5	Confident	81.8	Confident	26 Å²	26	59.8 Å²	59.8	27%	0.268	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	15.2	171.9	0	0	0	0	0	116.4	C737 N742 C743	C737-G739 PolarHBondContact O-N 3.4Å; C737-G739 PolarHBondContact SG-N 2.78Å; G739-N742 WeakPolarHBondContact O-CB 3.34Å; G739-N742 PolarHBondContact O-N 3.49Å; G739-C743 PolarHBondContact O-N 3.13Å
740	Y	76	Confident	84.3	Confident	138 Å²	138	57.1 Å²	57.1	54%	0.541	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	136.6	165.4	179.7	-84.5	0	0	0	110.3	C737 S738 C743	C737-Y740 WeakPolarHBondContact O-CB 3.31Å; C737-Y740 PolarHBondContact O-N 2.87Å; C737-Y740 VanDerWaalsContact O-N 3.11Å; S738-Y740 PolarHBondContact O-N 3.49Å; S738-Y740 VanDerWaalsContact O-N 3.15Å; Y740-C743 WeakPolarHBondContact CA-O 3.29Å
741	P	76.3	Confident	85.9	Confident	78 Å²	78	56 Å²	56	51%	0.506	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.1	-10.2	13.4	34.4	-37.2	0	0	0	115.9	C743	P741-C743 VanDerWaalsContact C-N 3.33Å; P741-C743 PolarHBondContact O-N 3.47Å
742	N	79.9	Confident	87.1	Confident	158 Å²	158	56.4 Å²	56.4	85%	0.845	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-36.4	-173.7	-62.3	-6.1	0	0	0	111.7	G739	G739-N742 WeakPolarHBondContact O-CB 3.34Å; G739-N742 PolarHBondContact O-N 3.49Å
743	C	83.3	Confident	87.6	Confident	14 Å²	14	56.1 Å²	56.1	10%	0.095	28%	0.282	C	S	.	.			trans	-105.5	126.6	165.2	-175	0	0	0	0	110.8	C694 C737 G739 Y740 P741	C694-C743 HydrophobicContact CB-CB 3.61Å; C737-C743 HydrophobicContact CB-CB 3.87Å; C737-C743 WeakPolarHBondContact SG-CB 3.36Å; G739-C743 PolarHBondContact O-N 3.13Å; Y740-C743 WeakPolarHBondContact CA-O 3.29Å; P741-C743 VanDerWaalsContact C-N 3.33Å; P741-C743 PolarHBondContact O-N 3.47Å
744	R	87.3	Confident	87.5	Confident	216 Å²	216	57.2 Å²	57.2	82%	0.815	29%	0.29	S	S	*	.			trans	-98.8	9.1	179.3	-61.7	-174.2	179.5	-170.3	0.8	114.1	A746	R744-A746 PolarHBondContact O-N 3.05Å
745	Y	89.2	Confident	87.4	Confident	41 Å²	41	59 Å²	59	16%	0.161	30%	0.299	C	S	.	.			trans	-64.3	125	179.2	-172.5	-80.5	0	0	0	110.8	C691 P692 T693 L698 S736 C737 I747	C691-Y745 WeakPolarHBondContact SG-CB 3.32Å; C691-Y745 VanDerWaalsContact SG-CG 3.5Å; P692-Y745 HydrophobicContact CG-CD2 4.21Å; P692-Y745 HydrophobicContact CG-CE1 4.26Å; P692-Y745 HydrophobicContact CG-CE2 3.55Å; T693-Y745 VanDerWaalsContact OG1-CD2 3.32Å; T693-Y745 WeakPolarHBondContact OG1-CD2 3.31Å; L698-Y745 HydrophobicContact CD1-CE1 4.28Å; L698-Y745 HydrophobicContact CD2-CD1 3.69Å; L698-Y745 HydrophobicContact CD2-CE1 3.99Å; S736-Y745 WeakPolarHBondContact CA-O 3.4Å; C737-Y745 PolarHBondContact N-O 2.91Å; Y745-I747 HydrophobicContact CE1-CD1 4.06Å; Y745-I747 HydrophobicContact CE1-CG1 3.93Å
746	A	90.1	Very high	87.4	Confident	36 Å²	36	59 Å²	59	30%	0.298	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	151.2	178.5	0	0	0	0	0	110.8	L735 R744	L735-A746 CarbonylContact O-C 3.4Å; L735-A746 WeakPolarHBondContact O-CA 3.37Å; L735-A746 VanDerWaalsContact O-CB 3.28Å; L735-A746 WeakPolarHBondContact O-CB 3.39Å; R744-A746 PolarHBondContact O-N 3.05Å
747	I	92.1	Very high	87.4	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.062	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.2	173.8	-59	164.8	0	0	0	106.5	F734 L735 Y745 I818 F819 I830 I832	F734-I747 CarbonylContact C-O 3.53Å; F734-I747 WeakPolarHBondContact CA-O 3.09Å; F734-I747 WeakPolarHBondContact CB-O 3.39Å; L735-I747 HydrophobicContact CB-CB 4.28Å; L735-I747 HydrophobicContact CD1-CD1 4.28Å; L735-I747 PolarHBondContact N-O 3.41Å; L735-I747 PolarHBondContact O-N 3.43Å; Y745-I747 HydrophobicContact CE1-CD1 4.06Å; Y745-I747 HydrophobicContact CE1-CG1 3.93Å; I747-I818 HydrophobicContact CD1-CD1 4.41Å; I747-F819 HydrophobicContact CD1-CE1 4.32Å; I747-I830 HydrophobicContact CG2-CD1 4.15Å; I747-I830 HydrophobicContact CG2-CG1 4.3Å; I747-I830 HydrophobicContact CG2-CG2 3.64Å; I747-I832 HydrophobicContact CD1-CD1 3.71Å; I747-I832 HydrophobicContact CD1-CG1 3.9Å
748	W	92.3	Very high	87.5	Confident	143 Å²	143	65.1 Å²	65.1	54%	0.542	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138	-179.4	-67.3	85.7	0	0	0	110.4	K703 F734	K703-W748 HydrophobicContact CB-CZ3 4.41Å; K703-W748 HydrophobicContact CD-CZ3 4.29Å; F734-W748 HydrophobicContact CB-CD2 3.79Å; F734-W748 HydrophobicContact CB-CE3 3.67Å; F734-W748 HydrophobicContact CB-CG 4.2Å; F734-W748 HydrophobicContact CB-CZ3 4.09Å; F734-W748 AromaticContact CD1-CE3 3.98Å; F734-W748 HydrophobicContact CD1-CE3 3.98Å; F734-W748 AromaticContact CD1-CH2 3.82Å; F734-W748 HydrophobicContact CD1-CH2 3.82Å; F734-W748 AromaticContact CD1-CZ3 3.5Å; F734-W748 HydrophobicContact CD1-CZ3 3.5Å; F734-W748 VanDerWaalsContact CD1-CZ3 3.5Å; F734-W748 HydrophobicContact CD2-CH2 4.4Å; F734-W748 HydrophobicContact CD2-CZ2 4.38Å; F734-W748 AromaticContact CE1-CH2 3.98Å; F734-W748 HydrophobicContact CE1-CH2 3.98Å; F734-W748 HydrophobicContact CE1-CZ3 4.03Å; F734-W748 HydrophobicContact CG-CD2 4.25Å; F734-W748 AromaticContact CG-CE3 3.97Å; F734-W748 HydrophobicContact CG-CE3 3.97Å; F734-W748 HydrophobicContact CG-CH2 4.04Å; F734-W748 HydrophobicContact CG-CZ2 4.32Å; F734-W748 AromaticContact CG-CZ3 3.86Å; F734-W748 HydrophobicContact CG-CZ3 3.86Å; F734-W748 HydrophobicContact CZ-CH2 4.34Å
749	F	92.9	Very high	87.5	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.039	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-89.3	141.2	168.9	-63.5	-83.8	0	0	0	109.5	L700 W733 L735 V753 V756 L791 L793 I818 L828 I830	L700-F749 HydrophobicContact CD1-CE2 4.22Å; W733-F749 HydrophobicContact CB-CB 4.38Å; W733-F749 HydrophobicContact CB-CD2 3.88Å; W733-F749 HydrophobicContact CB-CG 4.48Å; W733-F749 PolarHBondContact O-N 2.96Å; L735-F749 HydrophobicContact CG-CE2 4.26Å; F749-V753 HydrophobicContact CB-CB 4.07Å; F749-V753 HydrophobicContact CB-CG1 4.33Å; F749-V753 HydrophobicContact CB-CG2 4.24Å; F749-V753 HydrophobicContact CD1-CG2 4.48Å; F749-V756 HydrophobicContact CD1-CG2 4.47Å; F749-V756 HydrophobicContact CD2-CG2 3.99Å; F749-V756 HydrophobicContact CE2-CG1 4.29Å; F749-V756 HydrophobicContact CE2-CG2 4.17Å; F749-V756 HydrophobicContact CG-CG2 4.16Å; F749-V756 HydrophobicContact CZ-CG1 4.37Å; F749-L791 HydrophobicContact CE1-CD1 4.4Å; F749-L791 HydrophobicContact CZ-CD1 3.63Å; F749-L793 HydrophobicContact CD1-CD2 4.37Å; F749-L793 HydrophobicContact CE1-CD2 3.92Å; F749-L793 HydrophobicContact CZ-CD2 4.42Å; F749-I818 HydrophobicContact CE1-CG2 4.35Å; F749-I818 HydrophobicContact CZ-CD1 4.19Å; F749-L828 HydrophobicContact CD1-CD1 4.39Å; F749-I830 HydrophobicContact CD1-CD1 3.7Å; F749-I830 HydrophobicContact CE1-CD1 3.87Å; F749-I830 HydrophobicContact CG-CD1 4.49Å
750	P	89.7	Confident	87.3	Confident	43 Å²	43	65.5 Å²	65.5	28%	0.279	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-67.4	158.7	175.4	30	-36.7	0	0	0	111.6	S752 V753 L828	P750-S752 PolarHBondContact O-N 3.34Å; P750-V753 HydrophobicContact CG-CG2 4.28Å; P750-V753 PolarHBondContact O-N 2.95Å; P750-L828 HydrophobicContact CG-CB 4.32Å; P750-L828 HydrophobicContact CG-CD2 3.69Å; P750-L828 WeakPolarHBondContact CG-O 3.48Å
751	D	85.3	Confident	87.1	Confident	110 Å²	110	64.9 Å²	64.9	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.3	-176.9	-72.6	-28.7	0	0	0	114.5	V753 R796	D751-V753 VanDerWaalsContact C-N 3.28Å; D751-R796 PolarHBondContact O-NE 3.17Å; D751-R796 PolarHBondContact O-NH2 2.92Å
752	S	87.3	Confident	87	Confident	23 Å²	23	63.8 Å²	63.8	16%	0.161	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.8	169.1	55.1	0	0	0	0	113.2	P750 I754 F795 R796 F799	P750-S752 PolarHBondContact O-N 3.34Å; S752-I754 PolarHBondContact O-N 3.37Å; S752-F795 CarbonylContact O-C 3.46Å; S752-F795 VanDerWaalsContact O-CA 3.28Å; S752-F795 WeakPolarHBondContact O-CA 3.43Å; S752-R796 PolarHBondContact O-N 2.83Å; S752-F799 VanDerWaalsContact CB-CD2 3.47Å; S752-F799 VanDerWaalsContact CB-CE2 3.43Å; S752-F799 VanDerWaalsContact OG-CE2 3.32Å; S752-F799 WeakPolarHBondContact OG-CE2 3.35Å
753	V	91	Very high	86.6	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	101.1	176.2	-176.4	0	0	0	0	109.4	F749 P750 D751 V756 L793 R794 F795 L828	F749-V753 HydrophobicContact CB-CB 4.07Å; F749-V753 HydrophobicContact CB-CG1 4.33Å; F749-V753 HydrophobicContact CB-CG2 4.24Å; F749-V753 HydrophobicContact CD1-CG2 4.48Å; P750-V753 HydrophobicContact CG-CG2 4.28Å; P750-V753 PolarHBondContact O-N 2.95Å; D751-V753 VanDerWaalsContact C-N 3.28Å; V753-V756 HydrophobicContact CG1-CG2 3.47Å; V753-V756 VanDerWaalsContact CG1-CG2 3.47Å; V753-L793 HydrophobicContact CG1-CD2 4.4Å; V753-R794 CarbonylContact C-O 3.5Å; V753-R794 WeakPolarHBondContact CA-O 3.44Å; V753-F795 HydrophobicContact CG2-CD1 4.08Å; V753-F795 HydrophobicContact CG2-CE1 3.76Å; V753-F795 HydrophobicContact CG2-CZ 4.4Å; V753-L828 HydrophobicContact CG2-CD2 3.42Å; V753-L828 VanDerWaalsContact CG2-CD2 3.42Å
754	I	90.5	Very high	86.3	Confident	55 Å²	55	69.5 Å²	69.5	28%	0.282	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-28.4	-176.4	57	171.7	0	0	0	112.9	W733 S752 R794 R796 D810	W733-I754 PolarHBondContact NE1-O 3.04Å; S752-I754 PolarHBondContact O-N 3.37Å; I754-R794 HydrophobicContact CD1-CB 4.27Å; I754-R794 HydrophobicContact CG1-CB 3.88Å; I754-R794 WeakPolarHBondContact CG1-O 3.46Å; I754-R794 PolarHBondContact N-O 2.9Å; I754-R796 HydrophobicContact CG2-CG 3.48Å; I754-R796 VanDerWaalsContact CG2-CG 3.48Å; I754-D810 HydrophobicContact CD1-CB 3.82Å
755	H	91.1	Very high	86.2	Confident	68 Å²	68	60.6 Å²	60.6	32%	0.315	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	141.1	-179.4	-171.1	-96.8	0	0	0	111	W733 R794	W733-H755 AromaticContact CZ2-CD2 3.62Å; H755-R794 HydrophobicContact CB-CB 3.99Å; H755-R794 HydrophobicContact CB-CG 4.11Å; H755-R794 PolarHBondContact N-O 3.1Å; H755-R794 PolarHBondContact O-N 3.3Å
756	V	92.7	Very high	85.8	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.6	171.4	-177.7	0	0	0	0	108	L700 W733 F749 V753 L791 G792 L793	L700-V756 HydrophobicContact CD1-CB 4.03Å; L700-V756 HydrophobicContact CD1-CG1 3.64Å; L700-V756 HydrophobicContact CD2-CB 4.05Å; L700-V756 HydrophobicContact CD2-CG1 3.7Å; L700-V756 WeakPolarHBondContact CD2-O 3.46Å; L700-V756 HydrophobicContact CG-CG1 4.35Å; W733-V756 HydrophobicContact CB-CB 4.25Å; W733-V756 HydrophobicContact CB-CG2 3.67Å; W733-V756 HydrophobicContact CD2-CB 4.03Å; W733-V756 HydrophobicContact CD2-CG2 4.21Å; W733-V756 HydrophobicContact CE3-CB 4.05Å; W733-V756 HydrophobicContact CG-CB 4.11Å; W733-V756 HydrophobicContact CG-CG2 3.76Å; W733-V756 WeakPolarHBondContact CZ3-O 3.29Å; F749-V756 HydrophobicContact CD1-CG2 4.47Å; F749-V756 HydrophobicContact CD2-CG2 3.99Å; F749-V756 HydrophobicContact CE2-CG1 4.29Å; F749-V756 HydrophobicContact CE2-CG2 4.17Å; F749-V756 HydrophobicContact CG-CG2 4.16Å; F749-V756 HydrophobicContact CZ-CG1 4.37Å; V753-V756 HydrophobicContact CG1-CG2 3.47Å; V753-V756 VanDerWaalsContact CG1-CG2 3.47Å; V756-L791 HydrophobicContact CG1-CB 4.36Å; V756-L791 HydrophobicContact CG1-CD1 4.18Å; V756-L791 HydrophobicContact CG1-CD2 4.43Å; V756-G792 WeakPolarHBondContact CA-O 3.12Å; V756-L793 HydrophobicContact CB-CD2 4.32Å; V756-L793 HydrophobicContact CG1-CD2 3.85Å; V756-L793 HydrophobicContact CG2-CD2 3.8Å
757	R	91.2	Very high	85.5	Confident	108 Å²	108	58.2 Å²	58.2	41%	0.408	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.8	162.8	64.6	174.1	178.6	122.8	3.3	111.5	L791 G792 E813	R757-L791 CarbonylContact O-C 3.56Å; R757-L791 VanDerWaalsContact O-CA 3.32Å; R757-L791 WeakPolarHBondContact O-CA 3.3Å; R757-G792 PolarHBondContact N-O 2.79Å; R757-G792 PolarHBondContact O-N 3.25Å; R757-E813 IonicContact CZ-OE2 3.81Å; R757-E813 IonicContact NE-OE1 3.58Å; R757-E813 PolarHBondContact NE-OE1 3.39Å; R757-E813 IonicContact NE-OE2 2.76Å; R757-E813 PolarHBondContact NE-OE2 3.32Å; R757-E813 IonicContact NH2-OE2 2.86Å; R757-E813 PolarHBondContact NH2-OE2 2.9Å
758	V	90.5	Very high	84.8	Confident	26 Å²	26	62.5 Å²	62.5	16%	0.158	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	134.9	164.4	-166.3	0	0	0	0	107.3	P686 V688 L700 L789 L791	P686-V758 HydrophobicContact CB-CG1 4.28Å; P686-V758 HydrophobicContact CG-CB 3.97Å; P686-V758 HydrophobicContact CG-CG1 4.09Å; P686-V758 HydrophobicContact CG-CG2 4.2Å; V688-V758 HydrophobicContact CG2-CB 4.46Å; V688-V758 HydrophobicContact CG2-CG1 3.95Å; V688-V758 HydrophobicContact CG2-CG2 3.6Å; L700-V758 HydrophobicContact CB-CG2 3.88Å; L700-V758 HydrophobicContact CD2-CG2 3.91Å; V758-L789 HydrophobicContact CG1-CB 3.99Å; V758-L789 HydrophobicContact CG1-CD1 3.66Å; V758-L789 HydrophobicContact CG1-CG 4.46Å; V758-L791 HydrophobicContact CB-CD2 4.24Å; V758-L791 HydrophobicContact CG1-CD2 4.31Å; V758-L791 HydrophobicContact CG2-CD2 3.98Å
759	L	86.3	Confident	84.3	Confident	9 Å²	9	65 Å²	65	5%	0.047	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-80.6	150.3	171.1	-75.6	81.5	0	0	0	109.7	N765 K790 L791 I815	L759-N765 HydrophobicContact CB-CB 3.84Å; L759-N765 HydrophobicContact CD2-CB 4.47Å; L759-N765 VanDerWaalsContact CD2-OD1 3.27Å; L759-N765 WeakPolarHBondContact CD2-OD1 3.49Å; L759-K790 HydrophobicContact CD1-CB 4.37Å; L759-K790 WeakPolarHBondContact CD1-O 3.47Å; L759-K790 PolarHBondContact N-O 2.89Å; L759-K790 VanDerWaalsContact N-O 3.14Å; L759-L791 VanDerWaalsContact CD1-C 3.42Å; L759-I815 HydrophobicContact CD1-CG2 4.17Å; L759-I815 HydrophobicContact CD2-CD1 4.21Å; L759-I815 HydrophobicContact CD2-CG1 4.43Å; L759-I815 HydrophobicContact CD2-CG2 3.72Å
760	S	78.2	Confident	83.5	Confident	83 Å²	83	64.6 Å²	64.6	58%	0.58	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-64.4	153.1	-179.7	48.3	0	0	0	0	112.2	T762 N765	S760-T762 PolarHBondContact O-N 2.8Å; S760-N765 WeakPolarHBondContact O-CB 3.4Å; S760-N765 PolarHBondContact O-ND2 3.4Å; S760-N765 PolarHBondContact OG-ND2 3.23Å
761	E	70.9	Confident	82	Confident	125 Å²	125	63.8 Å²	63.8	58%	0.584	32%	0.323	S	S	*	.	S	Bend	trans	-63.9	95.5	176.3	-77.7	169	-168.3	0	0	111.5	L789	E761-L789 HydrophobicContact CG-CD1 3.98Å; E761-L789 HydrophobicContact CG-CD2 3.8Å; E761-L789 HydrophobicContact CG-CG 4.35Å
762	T	75.8	Confident	80.6	Confident	56 Å²	56	65.2 Å²	65.2	34%	0.344	33%	0.331	S	S	.	.	S	Bend	trans	-137.6	157.1	168.5	77.2	0	0	0	0	109.1	S760 E764 N765 T766	S760-T762 PolarHBondContact O-N 2.8Å; T762-E764 PolarHBondContact O-N 3.33Å; T762-E764 VanDerWaalsContact O-N 3.11Å; T762-E764 PolarHBondContact OG1-N 2.82Å; T762-N765 PolarHBondContact O-N 3.09Å; T762-N765 WeakPolarHBondContact OG1-CB 3.4Å; T762-N765 VanDerWaalsContact OG1-CG 3.25Å; T762-N765 PolarHBondContact OG1-N 2.88Å; T762-N765 PolarHBondContact OG1-ND2 2.81Å; T762-T766 WeakPolarHBondContact O-CG2 3.36Å; T762-T766 PolarHBondContact O-N 3.44Å
763	N	70.5	Confident	79	Confident	135 Å²	135	68 Å²	68	72%	0.722	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.1	178.3	-73.6	-23.2	0	0	0	113.5	T766	N763-T766 PolarHBondContact O-OG1 2.72Å
764	E	78.3	Confident	77.1	Confident	157 Å²	157	70.9 Å²	70.9	73%	0.734	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-30.4	176	-59.9	-179.5	157	0	0	112.6	T762 K790	T762-E764 PolarHBondContact O-N 3.33Å; T762-E764 VanDerWaalsContact O-N 3.11Å; T762-E764 PolarHBondContact OG1-N 2.82Å; E764-K790 WeakPolarHBondContact O-CE 3.37Å; E764-K790 PolarHBondContact O-NZ 3.37Å
765	N	83.3	Confident	75	Confident	28 Å²	28	71.8 Å²	71.8	15%	0.15	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-21.7	-176.1	-69.7	-18.7	0	0	0	113.5	L759 S760 T762 K790	L759-N765 HydrophobicContact CB-CB 3.84Å; L759-N765 HydrophobicContact CD2-CB 4.47Å; L759-N765 VanDerWaalsContact CD2-OD1 3.27Å; L759-N765 WeakPolarHBondContact CD2-OD1 3.49Å; S760-N765 WeakPolarHBondContact O-CB 3.4Å; S760-N765 PolarHBondContact O-ND2 3.4Å; S760-N765 PolarHBondContact OG-ND2 3.23Å; T762-N765 PolarHBondContact O-N 3.09Å; T762-N765 WeakPolarHBondContact OG1-CB 3.4Å; T762-N765 VanDerWaalsContact OG1-CG 3.25Å; T762-N765 PolarHBondContact OG1-N 2.88Å; T762-N765 PolarHBondContact OG1-ND2 2.81Å; N765-K790 VanDerWaalsContact O-CB 3.26Å; N765-K790 WeakPolarHBondContact O-CB 3.26Å; N765-K790 WeakPolarHBondContact O-CG 3.43Å; N765-K790 PolarHBondContact O-N 2.85Å
766	T	82	Confident	72.7	Confident	18 Å²	18	74.3 Å²	74.3	11%	0.11	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-72.5	158	167.5	63.2	0	0	0	0	111.6	T762 N763 R787 L789 K790	T762-T766 WeakPolarHBondContact O-CG2 3.36Å; T762-T766 PolarHBondContact O-N 3.44Å; N763-T766 PolarHBondContact O-OG1 2.72Å; T766-R787 HydrophobicContact CG2-CB 4.36Å; T766-L789 HydrophobicContact CG2-CD2 4.04Å; T766-K790 WeakPolarHBondContact O-CE 3.42Å
767	C	82.6	Confident	70.4	Confident	9 Å²	9	79.1 Å²	79.1	6%	0.061	42%	0.423	C	S	.	.			trans	-97.6	108.6	178.5	-166.7	0	0	0	0	113	R769 C770 P788 C817 C820	C767-R769 PolarHBondContact O-N 3.17Å; C767-C770 HydrophobicContact CB-CB 4.04Å; C767-C770 PolarHBondContact O-N 3.46Å; C767-C770 VanDerWaalsContact O-N 3.09Å; C767-P788 WeakPolarHBondContact CB-O 3.48Å; C767-P788 PolarHBondContact N-O 2.74Å; C767-C817 HydrophobicContact CB-CB 3.58Å; C767-C817 WeakPolarHBondContact CB-SG 3.41Å; C767-C817 WeakPolarHBondContact SG-CB 3.42Å; C767-C817 VanDerWaalsContact SG-SG 3.69Å; C767-C820 PolarHBondContact SG-SG 3.1Å
768	N	79.3	Confident	67.9	Low	103 Å²	103	77.6 Å²	77.6	55%	0.551	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.1	179.1	-62.2	-25.5	0	0	0	114.1	R787	N768-R787 PolarHBondContact OD1-NH1 2.96Å
769	R	80.2	Confident	65.4	Low	194 Å²	194	82.4 Å²	82.4	73%	0.732	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.7	171.8	-67.2	-175	-180	178.3	0.4	113.4	C767 F773 C820	C767-R769 PolarHBondContact O-N 3.17Å; R769-F773 WeakPolarHBondContact O-CE2 3.47Å; R769-C820 HydrophobicContact CB-CB 4.28Å
770	C	76.3	Confident	62.8	Low	1 Å²	1	92.4 Å²	92.4	1%	0.007	50%	0.495	C	S	.	.			trans	-107.4	19.4	-170.2	-62.9	0	0	0	0	114.1	C767 D772 F773 P788 C820	C767-C770 HydrophobicContact CB-CB 4.04Å; C767-C770 PolarHBondContact O-N 3.46Å; C767-C770 VanDerWaalsContact O-N 3.09Å; C770-D772 VanDerWaalsContact C-N 3.32Å; C770-D772 PolarHBondContact O-N 3.41Å; C770-F773 VanDerWaalsContact CA-CD2 3.5Å; C770-F773 HydrophobicContact CB-CB 4.49Å; C770-F773 HydrophobicContact CB-CD2 4.11Å; C770-F773 HydrophobicContact CB-CG 4.18Å; C770-F773 PolarHBondContact O-N 2.67Å; C770-P788 HydrophobicContact CB-CB 4.26Å; C770-P788 HydrophobicContact CB-CG 3.73Å; C770-C820 VanDerWaalsContact SG-CB 3.56Å
771	A	58.7	Low	60.7	Low	27 Å²	27	94.9 Å²	94.9	22%	0.223	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-40.2	-177.1	0	0	0	0	0	112.6
772	D	54.9	Low	59.1	Low	140 Å²	140	93.4 Å²	93.4	75%	0.749	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	9.4	-173.5	-49.3	-71.4	0	0	0	114.1	C770 I774	C770-D772 VanDerWaalsContact C-N 3.32Å; C770-D772 PolarHBondContact O-N 3.41Å; D772-I774 PolarHBondContact O-N 2.8Å
773	F	54.9	Low	57.2	Low	81 Å²	81	98.9 Å²	98.9	36%	0.355	54%	0.54	S	S	.	.			trans	-76.2	11.3	-171.1	-85.9	-123	0	0	0	114.6	R769 C770 F819 C820 L834	R769-F773 WeakPolarHBondContact O-CE2 3.47Å; C770-F773 VanDerWaalsContact CA-CD2 3.5Å; C770-F773 HydrophobicContact CB-CB 4.49Å; C770-F773 HydrophobicContact CB-CD2 4.11Å; C770-F773 HydrophobicContact CB-CG 4.18Å; C770-F773 PolarHBondContact O-N 2.67Å; F773-F819 HydrophobicContact CD1-CB 4.46Å; F773-F819 WeakPolarHBondContact CE1-O 3.39Å; F773-C820 HydrophobicContact CZ-CB 4.18Å; F773-L834 HydrophobicContact CD1-CD1 4.03Å; F773-L834 HydrophobicContact CD1-CD2 3.87Å; F773-L834 HydrophobicContact CE1-CD1 3.57Å; F773-L834 HydrophobicContact CE1-CD2 4.27Å
774	I	50.7	Low	56	Low	64 Å²	64	99.7 Å²	99.7	33%	0.328	54%	0.544	S	S	.	.	S	Bend	trans	-130.8	121.1	-177.8	-56.1	168.6	0	0	0	108.3	F690 D772	F690-I774 HydrophobicContact CB-CD1 4.37Å; F690-I774 HydrophobicContact CD2-CD1 3.71Å; D772-I774 PolarHBondContact O-N 2.8Å
775	P	46.5	Very low	54.7	Low	74 Å²	74	99.4 Å²	99.4	48%	0.481	54%	0.543	S	S	.	.			trans	-66.6	138.8	-175.7	26.5	-34.3	0	0	0	112.2	S777	P775-S777 PolarHBondContact O-N 2.84Å
776	S	42.6	Very low	53.7	Low	121 Å²	121	101.1 Å²	101.1	85%	0.846	55%	0.552	S	S	*	*	S	Bend	trans	-70.1	15.5	-169.3	-33.2	0	0	0	0	115.8
777	S	44.7	Very low	53.4	Low	102 Å²	102	105.1 Å²	105.1	71%	0.713	57%	0.565	S	S	*	*			trans	-96.6	4.9	-163.3	55.5	0	0	0	0	115.7	P775	P775-S777 PolarHBondContact O-N 2.84Å
778	S	38.3	Very low	53.5	Low	76 Å²	76	105 Å²	105	53%	0.531	56%	0.564	S	S	.	*			trans	-136.5	72.9	179.9	56.5	0	0	0	0	112.1	R780	S778-R780 PolarHBondContact O-N 3.41Å
779	V	37.9	Very low	53.9	Low	128 Å²	128	100.1 Å²	100.1	78%	0.776	54%	0.538	S	S	*	.			trans	-65.6	117.6	179.2	179.2	0	0	0	0	111.2
780	R	32.7	Very low	54.4	Low	219 Å²	219	93.7 Å²	93.7	83%	0.826	52%	0.515	S	S	*	.			trans	-106.3	134.6	151	-76.2	-171.4	173.8	-160.6	-1.3	108.4	S778 S782	S778-R780 PolarHBondContact O-N 3.41Å; R780-S782 PolarHBondContact O-N 3.2Å
781	P	32.9	Very low	55.2	Low	134 Å²	134	93.6 Å²	93.6	87%	0.87	52%	0.515	S	S	*	.	S	Bend	trans	-80.3	80.1	-179.5	32.4	-34.8	0	0	0	111.7
782	S	38.1	Very low	56.9	Low	95 Å²	95	92.3 Å²	92.3	66%	0.664	50%	0.504	S	S	*	.	S	Bend	trans	-155	127.3	166.8	55	0	0	0	0	109.3	R780 D784	R780-S782 PolarHBondContact O-N 3.2Å; S782-D784 VanDerWaalsContact C-N 3.35Å; S782-D784 PolarHBondContact O-N 2.81Å
783	N	35.2	Very low	58.7	Low	171 Å²	171	85.7 Å²	85.7	91%	0.914	47%	0.469	S	S	*	.			trans	-88.4	37.9	-143.8	-145.2	32.8	0	0	0	116.5
784	D	44.9	Very low	60.5	Low	151 Å²	151	85.5 Å²	85.5	81%	0.807	47%	0.466	S	S	*	.			trans	-121.3	112.1	-177.5	-80.9	-61.7	0	0	0	113.4	S782 L786	S782-D784 VanDerWaalsContact C-N 3.35Å; S782-D784 PolarHBondContact O-N 2.81Å; D784-L786 PolarHBondContact O-N 3.23Å
785	Q	52.7	Low	62.4	Low	151 Å²	151	82.5 Å²	82.5	71%	0.706	45%	0.45	S	S	*	.			trans	-80.1	90.6	168	-73.5	-177.8	-27.9	0	0	110	R787	Q785-R787 PolarHBondContact O-N 3.08Å
786	L	62.3	Low	64.2	Low	65 Å²	65	85.4 Å²	85.4	34%	0.34	45%	0.452	S	S	.	.			trans	-64.2	98.4	-179.4	-162.3	74.4	0	0	0	111.7	V687 F690 D784	V687-L786 HydrophobicContact CG1-CD2 4.32Å; F690-L786 HydrophobicContact CE2-CB 3.88Å; F690-L786 HydrophobicContact CE2-CD2 3.95Å; F690-L786 HydrophobicContact CZ-CD2 4.16Å; D784-L786 PolarHBondContact O-N 3.23Å
787	R	75.4	Confident	66.2	Low	101 Å²	101	87 Å²	87	38%	0.381	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-66.8	138.6	175.8	-67	-178.9	-175.5	167.6	6.8	110.6	T766 N768 Q785 L789	T766-R787 HydrophobicContact CG2-CB 4.36Å; N768-R787 PolarHBondContact OD1-NH1 2.96Å; Q785-R787 PolarHBondContact O-N 3.08Å; R787-L789 PolarHBondContact O-N 3.43Å
788	P	83.8	Confident	68.1	Low	6 Å²	6	88 Å²	88	4%	0.039	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-52.9	137.5	174.3	-31.3	37.9	0	0	0	113.9	V688 A689 C767 C770 F819	V688-P788 CarbonylContact O-C 3.6Å; V688-P788 VanDerWaalsContact O-CA 3.28Å; V688-P788 WeakPolarHBondContact O-CA 3.4Å; A689-P788 HydrophobicContact CB-CB 4.01Å; A689-P788 HydrophobicContact CB-CG 4Å; C767-P788 WeakPolarHBondContact CB-O 3.48Å; C767-P788 PolarHBondContact N-O 2.74Å; C770-P788 HydrophobicContact CB-CB 4.26Å; C770-P788 HydrophobicContact CB-CG 3.73Å; P788-F819 HydrophobicContact CB-CD2 3.75Å; P788-F819 HydrophobicContact CB-CE2 4.18Å; P788-F819 HydrophobicContact CB-CG 4.46Å; P788-F819 HydrophobicContact CG-CD2 4.4Å
789	L	88.5	Confident	70.4	Confident	2 Å²	2	86.2 Å²	86.2	1%	0.01	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-77.9	144.7	175.5	-70.4	169.3	0	0	0	111.5	V688 V758 E761 T766 R787	V688-L789 HydrophobicContact CG1-CB 4.45Å; V688-L789 PolarHBondContact O-N 2.76Å; V758-L789 HydrophobicContact CG1-CB 3.99Å; V758-L789 HydrophobicContact CG1-CD1 3.66Å; V758-L789 HydrophobicContact CG1-CG 4.46Å; E761-L789 HydrophobicContact CG-CD1 3.98Å; E761-L789 HydrophobicContact CG-CD2 3.8Å; E761-L789 HydrophobicContact CG-CG 4.35Å; T766-L789 HydrophobicContact CG2-CD2 4.04Å; R787-L789 PolarHBondContact O-N 3.43Å
790	K	91	Very high	72.6	Confident	58 Å²	58	87.3 Å²	87.3	25%	0.252	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-70.3	152.5	167.1	-67	169.7	-171.1	174.6	0	110.4	L759 E764 N765 T766 I815 T816 C817	L759-K790 HydrophobicContact CD1-CB 4.37Å; L759-K790 WeakPolarHBondContact CD1-O 3.47Å; L759-K790 PolarHBondContact N-O 2.89Å; L759-K790 VanDerWaalsContact N-O 3.14Å; E764-K790 WeakPolarHBondContact O-CE 3.37Å; E764-K790 PolarHBondContact O-NZ 3.37Å; N765-K790 VanDerWaalsContact O-CB 3.26Å; N765-K790 WeakPolarHBondContact O-CB 3.26Å; N765-K790 WeakPolarHBondContact O-CG 3.43Å; N765-K790 PolarHBondContact O-N 2.85Å; T766-K790 WeakPolarHBondContact O-CE 3.42Å; K790-I815 HydrophobicContact CB-CG2 4.09Å; K790-I815 HydrophobicContact CD-CG2 4.09Å; K790-T816 CarbonylContact C-O 3.51Å; K790-T816 VanDerWaalsContact CA-O 3.23Å; K790-T816 WeakPolarHBondContact CA-O 3.43Å; K790-T816 WeakPolarHBondContact CB-O 3.25Å; K790-C817 HydrophobicContact CG-CB 4.19Å
791	L	93	Very high	74.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.6	173.6	-60.4	-178.5	0	0	0	109.8	V688 L735 F749 V756 R757 V758 L759 L793 I815 T816 I818	V688-L791 HydrophobicContact CG1-CD1 4.46Å; V688-L791 HydrophobicContact CG1-CD2 3.68Å; V688-L791 HydrophobicContact CG1-CG 4.17Å; V688-L791 HydrophobicContact CG2-CD2 4.31Å; L735-L791 HydrophobicContact CD1-CD1 4.45Å; F749-L791 HydrophobicContact CE1-CD1 4.4Å; F749-L791 HydrophobicContact CZ-CD1 3.63Å; V756-L791 HydrophobicContact CG1-CB 4.36Å; V756-L791 HydrophobicContact CG1-CD1 4.18Å; V756-L791 HydrophobicContact CG1-CD2 4.43Å; R757-L791 CarbonylContact O-C 3.56Å; R757-L791 VanDerWaalsContact O-CA 3.32Å; R757-L791 WeakPolarHBondContact O-CA 3.3Å; V758-L791 HydrophobicContact CB-CD2 4.24Å; V758-L791 HydrophobicContact CG1-CD2 4.31Å; V758-L791 HydrophobicContact CG2-CD2 3.98Å; L759-L791 VanDerWaalsContact CD1-C 3.42Å; L791-L793 HydrophobicContact CB-CD2 4.05Å; L791-I815 WeakPolarHBondContact O-CA 3.37Å; L791-T816 PolarHBondContact N-O 2.87Å; L791-T816 PolarHBondContact O-N 3.32Å; L791-I818 HydrophobicContact CD1-CD1 4.02Å; L791-I818 HydrophobicContact CD1-CG1 4.21Å; L791-I818 HydrophobicContact CD1-CG2 4.15Å
792	G	93.2	Very high	76.8	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112	169.1	0	0	0	0	0	108.6	V756 R757	V756-G792 WeakPolarHBondContact CA-O 3.12Å; R757-G792 PolarHBondContact N-O 2.79Å; R757-G792 PolarHBondContact O-N 3.25Å
793	L	93	Very high	78.3	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128	-176.8	-53.2	-180	0	0	0	109.8	F749 V753 V756 L791 F795 E813 Y814 T816 I824 L828	F749-L793 HydrophobicContact CD1-CD2 4.37Å; F749-L793 HydrophobicContact CE1-CD2 3.92Å; F749-L793 HydrophobicContact CZ-CD2 4.42Å; V753-L793 HydrophobicContact CG1-CD2 4.4Å; V756-L793 HydrophobicContact CB-CD2 4.32Å; V756-L793 HydrophobicContact CG1-CD2 3.85Å; V756-L793 HydrophobicContact CG2-CD2 3.8Å; L791-L793 HydrophobicContact CB-CD2 4.05Å; L793-F795 HydrophobicContact CB-CD2 4.49Å; L793-F795 HydrophobicContact CB-CE2 3.58Å; L793-F795 HydrophobicContact CB-CZ 3.83Å; L793-F795 HydrophobicContact CD1-CZ 4.05Å; L793-E813 CarbonylContact O-C 3.51Å; L793-E813 WeakPolarHBondContact O-CA 3.28Å; L793-Y814 PolarHBondContact N-O 3.06Å; L793-Y814 PolarHBondContact O-N 3.4Å; L793-T816 HydrophobicContact CD1-CG2 3.69Å; L793-T816 HydrophobicContact CG-CG2 4.21Å; L793-I824 HydrophobicContact CD1-CG1 4.37Å; L793-L828 HydrophobicContact CD1-CD1 3.96Å
794	R	92.2	Very high	79.9	Confident	78 Å²	78	69.9 Å²	69.9	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.6	167.5	-54.8	-174.4	-171.4	-159.3	-6.6	110	V753 I754 H755 T811 E813	V753-R794 CarbonylContact C-O 3.5Å; V753-R794 WeakPolarHBondContact CA-O 3.44Å; I754-R794 HydrophobicContact CD1-CB 4.27Å; I754-R794 HydrophobicContact CG1-CB 3.88Å; I754-R794 WeakPolarHBondContact CG1-O 3.46Å; I754-R794 PolarHBondContact N-O 2.9Å; H755-R794 HydrophobicContact CB-CB 3.99Å; H755-R794 HydrophobicContact CB-CG 4.11Å; H755-R794 PolarHBondContact N-O 3.1Å; H755-R794 PolarHBondContact O-N 3.3Å; R794-T811 VanDerWaalsContact CZ-O 3.24Å; R794-T811 PolarHBondContact NE-O 2.79Å; R794-T811 PolarHBondContact NH1-O 2.91Å; R794-E813 HydrophobicContact CG-CG 3.42Å; R794-E813 VanDerWaalsContact CG-CG 3.42Å; R794-E813 IonicContact CZ-OE1 2.76Å; R794-E813 VanDerWaalsContact CZ-OE1 3.26Å; R794-E813 IonicContact NE-OE1 3.16Å; R794-E813 PolarHBondContact NE-OE1 3.01Å; R794-E813 IonicContact NH2-OE1 3.47Å; R794-E813 PolarHBondContact NH2-OE1 3.05Å
795	F	90.7	Very high	81.5	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	158.2	-175.4	-60.8	-98.2	0	0	0	111.3	S752 V753 L793 F799 L801 Q807 I824 L828	S752-F795 CarbonylContact O-C 3.46Å; S752-F795 VanDerWaalsContact O-CA 3.28Å; S752-F795 WeakPolarHBondContact O-CA 3.43Å; V753-F795 HydrophobicContact CG2-CD1 4.08Å; V753-F795 HydrophobicContact CG2-CE1 3.76Å; V753-F795 HydrophobicContact CG2-CZ 4.4Å; L793-F795 HydrophobicContact CB-CD2 4.49Å; L793-F795 HydrophobicContact CB-CE2 3.58Å; L793-F795 HydrophobicContact CB-CZ 3.83Å; L793-F795 HydrophobicContact CD1-CZ 4.05Å; F795-F799 HydrophobicContact CB-CB 3.86Å; F795-F799 HydrophobicContact CB-CD1 4.06Å; F795-F799 HydrophobicContact CB-CG 4.14Å; F795-F799 HydrophobicContact CD1-CB 4.45Å; F795-F799 AromaticContact CD1-CD1 3.17Å; F795-F799 HydrophobicContact CD1-CD1 3.17Å; F795-F799 AromaticContact CD1-CE1 3.37Å; F795-F799 HydrophobicContact CD1-CE1 3.37Å; F795-F799 AromaticContact CD1-CG 3.8Å; F795-F799 HydrophobicContact CD1-CG 3.8Å; F795-F799 HydrophobicContact CD1-CZ 4.14Å; F795-F799 AromaticContact CE1-CD1 3.68Å; F795-F799 HydrophobicContact CE1-CD1 3.68Å; F795-F799 AromaticContact CE1-CE1 3.39Å; F795-F799 HydrophobicContact CE1-CE1 3.39Å; F795-F799 HydrophobicContact CE1-CZ 4.16Å; F795-F799 HydrophobicContact CG-CB 4.49Å; F795-F799 AromaticContact CG-CD1 3.75Å; F795-F799 HydrophobicContact CG-CD1 3.75Å; F795-F799 HydrophobicContact CG-CE1 4.34Å; F795-F799 HydrophobicContact CG-CG 4.29Å; F795-F799 HydrophobicContact CZ-CE1 4.41Å; F795-L801 HydrophobicContact CD1-CD2 4.47Å; F795-L801 HydrophobicContact CD2-CD2 3.94Å; F795-L801 HydrophobicContact CE1-CD2 4.13Å; F795-L801 HydrophobicContact CE2-CD2 3.62Å; F795-L801 HydrophobicContact CG-CD2 4.37Å; F795-L801 HydrophobicContact CZ-CD2 3.71Å; F795-Q807 HydrophobicContact CB-CB 4.31Å; F795-Q807 HydrophobicContact CB-CG 4.01Å; F795-I824 HydrophobicContact CZ-CD1 4.18Å; F795-L828 HydrophobicContact CE1-CD2 3.75Å; F795-L828 HydrophobicContact CZ-CD2 4.34Å
796	R	85.6	Confident	82.8	Confident	136 Å²	136	66.6 Å²	66.6	51%	0.513	31%	0.309	S	S	.	.			trans	-58.7	148.8	164.5	-61.1	-174.8	-167.3	-165.1	-0.1	109.6	D751 S752 I754 F799	D751-R796 PolarHBondContact O-NE 3.17Å; D751-R796 PolarHBondContact O-NH2 2.92Å; S752-R796 PolarHBondContact O-N 2.83Å; I754-R796 HydrophobicContact CG2-CG 3.48Å; I754-R796 VanDerWaalsContact CG2-CG 3.48Å; R796-F799 VanDerWaalsContact O-CB 3.29Å; R796-F799 WeakPolarHBondContact O-CB 3.4Å; R796-F799 PolarHBondContact O-N 3.14Å
797	R	84.8	Confident	83.7	Confident	153 Å²	153	63.9 Å²	63.9	58%	0.577	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	149	171.8	-59.1	-173.9	-168.7	-176.2	0.5	110.7	F799 Q807 D808 D810	R797-F799 PolarHBondContact O-N 3.2Å; R797-Q807 CarbonylContact C-O 3.36Å; R797-Q807 VanDerWaalsContact CA-O 3.27Å; R797-Q807 WeakPolarHBondContact CA-O 3.27Å; R797-D808 WeakPolarHBondContact CD-O 3.32Å; R797-D810 HydrophobicContact CG-CB 4.03Å; R797-D810 IonicContact CZ-OD1 3.49Å; R797-D810 IonicContact NE-OD1 3.69Å; R797-D810 PolarHBondContact NE-OD1 3.13Å; R797-D810 IonicContact NH2-OD1 2.69Å; R797-D810 PolarHBondContact NH2-OD1 3.38Å
798	N	83.2	Confident	84	Confident	124 Å²	124	63.5 Å²	63.5	66%	0.663	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	15.3	-174	-51.5	-32.7	0	0	0	115.3	Q807	N798-Q807 PolarHBondContact N-O 2.9Å
799	F	86.3	Confident	84	Confident	39 Å²	39	65.5 Å²	65.5	17%	0.171	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-76	139.3	167.8	-167.9	-100.5	0	0	0	111	S752 F795 R796 R797 L801 Q807 I827	S752-F799 VanDerWaalsContact CB-CD2 3.47Å; S752-F799 VanDerWaalsContact CB-CE2 3.43Å; S752-F799 VanDerWaalsContact OG-CE2 3.32Å; S752-F799 WeakPolarHBondContact OG-CE2 3.35Å; F795-F799 HydrophobicContact CB-CB 3.86Å; F795-F799 HydrophobicContact CB-CD1 4.06Å; F795-F799 HydrophobicContact CB-CG 4.14Å; F795-F799 HydrophobicContact CD1-CB 4.45Å; F795-F799 AromaticContact CD1-CD1 3.17Å; F795-F799 HydrophobicContact CD1-CD1 3.17Å; F795-F799 AromaticContact CD1-CE1 3.37Å; F795-F799 HydrophobicContact CD1-CE1 3.37Å; F795-F799 AromaticContact CD1-CG 3.8Å; F795-F799 HydrophobicContact CD1-CG 3.8Å; F795-F799 HydrophobicContact CD1-CZ 4.14Å; F795-F799 AromaticContact CE1-CD1 3.68Å; F795-F799 HydrophobicContact CE1-CD1 3.68Å; F795-F799 AromaticContact CE1-CE1 3.39Å; F795-F799 HydrophobicContact CE1-CE1 3.39Å; F795-F799 HydrophobicContact CE1-CZ 4.16Å; F795-F799 HydrophobicContact CG-CB 4.49Å; F795-F799 AromaticContact CG-CD1 3.75Å; F795-F799 HydrophobicContact CG-CD1 3.75Å; F795-F799 HydrophobicContact CG-CE1 4.34Å; F795-F799 HydrophobicContact CG-CG 4.29Å; F795-F799 HydrophobicContact CZ-CE1 4.41Å; R796-F799 VanDerWaalsContact O-CB 3.29Å; R796-F799 WeakPolarHBondContact O-CB 3.4Å; R796-F799 PolarHBondContact O-N 3.14Å; R797-F799 PolarHBondContact O-N 3.2Å; F799-L801 HydrophobicContact CD1-CD2 4.12Å; F799-L801 HydrophobicContact CE1-CD2 4.27Å; F799-Q807 HydrophobicContact CB-CB 4.33Å; F799-Q807 PolarHBondContact O-N 3.04Å; F799-I827 HydrophobicContact CE1-CG2 3.57Å; F799-I827 HydrophobicContact CZ-CG2 3.55Å
800	Y	84.1	Confident	83.7	Confident	151 Å²	151	68 Å²	68	59%	0.592	32%	0.324	S	S	*	.	B	Isolated β-bridge	trans	-94.3	126.2	-179.8	-69.8	-100.4	0	0	0	110.6	I806	Y800-I806 HydrophobicContact CD1-CD1 4.29Å; Y800-I806 HydrophobicContact CD1-CG1 3.83Å; Y800-I806 HydrophobicContact CE1-CD1 3.58Å; Y800-I806 HydrophobicContact CE1-CG1 3.65Å
801	L	81.1	Confident	83.3	Confident	16 Å²	16	69 Å²	69	8%	0.084	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-103.3	169.9	179.3	-69.2	172.9	0	0	0	111	F795 F799 G804 Y805 Y814 I824	F795-L801 HydrophobicContact CD1-CD2 4.47Å; F795-L801 HydrophobicContact CD2-CD2 3.94Å; F795-L801 HydrophobicContact CE1-CD2 4.13Å; F795-L801 HydrophobicContact CE2-CD2 3.62Å; F795-L801 HydrophobicContact CG-CD2 4.37Å; F795-L801 HydrophobicContact CZ-CD2 3.71Å; F799-L801 HydrophobicContact CD1-CD2 4.12Å; F799-L801 HydrophobicContact CE1-CD2 4.27Å; L801-G804 PolarHBondContact O-N 2.86Å; L801-Y805 PolarHBondContact N-O 2.92Å; L801-Y814 HydrophobicContact CD1-CD2 4.01Å; L801-Y814 HydrophobicContact CD2-CD2 4.36Å; L801-Y814 HydrophobicContact CD2-CG 4.39Å; L801-I824 HydrophobicContact CD2-CD1 3.88Å
802	P	72.9	Confident	82.8	Confident	12 Å²	12	73.3 Å²	73.3	8%	0.078	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-50.2	152.2	171.6	-27.4	34.7	0	0	0	112.9	G804 D823 I824 I827	P802-G804 PolarHBondContact O-N 2.92Å; P802-D823 HydrophobicContact CB-CB 4.13Å; P802-D823 HydrophobicContact CG-CB 3.97Å; P802-I824 HydrophobicContact CG-CD1 4.03Å; P802-I827 HydrophobicContact CG-CD1 3.87Å
803	N	70.1	Confident	82.6	Confident	165 Å²	165	75.6 Å²	75.6	88%	0.882	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	61.3	18.5	-176.9	-51.3	-35.4	0	0	0	115.3	Y805	N803-Y805 VanDerWaalsContact C-N 3.34Å; N803-Y805 PolarHBondContact O-N 3.05Å
804	G	69.5	Low	82.4	Confident	60 Å²	60	78.6 Å²	78.6	62%	0.619	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	80.2	11.3	173.8	0	0	0	0	0	114.9	L801 P802	L801-G804 PolarHBondContact O-N 2.86Å; P802-G804 PolarHBondContact O-N 2.92Å
805	Y	77.4	Confident	82.3	Confident	163 Å²	163	79.2 Å²	79.2	64%	0.639	38%	0.384	S	S	*	.			trans	-68.8	136.7	175.8	-134.1	-82.3	0	0	0	110.5	L801 N803	L801-Y805 PolarHBondContact N-O 2.92Å; N803-Y805 VanDerWaalsContact C-N 3.34Å; N803-Y805 PolarHBondContact O-N 3.05Å
806	I	80.3	Confident	82.3	Confident	70 Å²	70	79.5 Å²	79.5	36%	0.359	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-105.4	132.8	174.7	-56.3	179	0	0	0	108.4	Y800 D808	Y800-I806 HydrophobicContact CD1-CD1 4.29Å; Y800-I806 HydrophobicContact CD1-CG1 3.83Å; Y800-I806 HydrophobicContact CE1-CD1 3.58Å; Y800-I806 HydrophobicContact CE1-CG1 3.65Å; I806-D808 PolarHBondContact O-N 2.69Å
807	Q	81	Confident	82.6	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.037	36%	0.364	C	S	.	.			trans	-69.4	98.7	172.6	-170.6	93.9	22.2	0	0	109.4	F795 R797 N798 F799 D809 K812	F795-Q807 HydrophobicContact CB-CB 4.31Å; F795-Q807 HydrophobicContact CB-CG 4.01Å; R797-Q807 CarbonylContact C-O 3.36Å; R797-Q807 VanDerWaalsContact CA-O 3.27Å; R797-Q807 WeakPolarHBondContact CA-O 3.27Å; N798-Q807 PolarHBondContact N-O 2.9Å; F799-Q807 HydrophobicContact CB-CB 4.33Å; F799-Q807 PolarHBondContact O-N 3.04Å; Q807-D809 PolarHBondContact NE2-O 2.89Å; Q807-K812 PolarHBondContact NE2-O 3.11Å
808	D	82.8	Confident	82.8	Confident	92 Å²	92	66.1 Å²	66.1	49%	0.492	34%	0.337	S	S	.	.			trans	-79.3	-35.7	176.6	61	-28	0	0	0	112.6	R797 I806 K812	R797-D808 WeakPolarHBondContact CD-O 3.32Å; I806-D808 PolarHBondContact O-N 2.69Å; D808-K812 IonicContact OD1-NZ 3.54Å; D808-K812 PolarHBondContact OD1-NZ 2.93Å; D808-K812 IonicContact OD2-NZ 2.66Å; D808-K812 PolarHBondContact OD2-NZ 3.39Å
809	D	83.4	Confident	83	Confident	48 Å²	48	61.2 Å²	61.2	26%	0.257	31%	0.31	S	S	.	.			trans	-127.3	119	-172.5	167.5	6.7	0	0	0	109.7	Q807 T811 K812	Q807-D809 PolarHBondContact NE2-O 2.89Å; D809-T811 VanDerWaalsContact CG-OG1 3.24Å; D809-T811 PolarHBondContact O-N 3.05Å; D809-T811 VanDerWaalsContact OD1-CB 3.31Å; D809-T811 WeakPolarHBondContact OD1-CB 3.25Å; D809-T811 WeakPolarHBondContact OD1-CG2 3.39Å; D809-T811 PolarHBondContact OD1-N 2.8Å; D809-T811 PolarHBondContact OD1-OG1 2.69Å; D809-T811 PolarHBondContact OD2-OG1 3.42Å; D809-T811 VanDerWaalsContact OD2-OG1 3.12Å; D809-K812 HydrophobicContact CB-CD 3.9Å; D809-K812 HydrophobicContact CB-CG 4.05Å; D809-K812 PolarHBondContact O-N 2.9Å; D809-K812 WeakPolarHBondContact OD2-CE 3.33Å
810	D	83.1	Confident	83	Confident	54 Å²	54	60.8 Å²	60.8	29%	0.289	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.1	-177.1	57.2	-51.3	0	0	0	114	I754 R797	I754-D810 HydrophobicContact CD1-CB 3.82Å; R797-D810 HydrophobicContact CG-CB 4.03Å; R797-D810 IonicContact CZ-OD1 3.49Å; R797-D810 IonicContact NE-OD1 3.69Å; R797-D810 PolarHBondContact NE-OD1 3.13Å; R797-D810 IonicContact NH2-OD1 2.69Å; R797-D810 PolarHBondContact NH2-OD1 3.38Å
811	T	82.1	Confident	83.1	Confident	81 Å²	81	55 Å²	55	50%	0.497	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-22.5	170.4	74.2	0	0	0	0	113.5	R794 D809	R794-T811 VanDerWaalsContact CZ-O 3.24Å; R794-T811 PolarHBondContact NE-O 2.79Å; R794-T811 PolarHBondContact NH1-O 2.91Å; D809-T811 VanDerWaalsContact CG-OG1 3.24Å; D809-T811 PolarHBondContact O-N 3.05Å; D809-T811 VanDerWaalsContact OD1-CB 3.31Å; D809-T811 WeakPolarHBondContact OD1-CB 3.25Å; D809-T811 WeakPolarHBondContact OD1-CG2 3.39Å; D809-T811 PolarHBondContact OD1-N 2.8Å; D809-T811 PolarHBondContact OD1-OG1 2.69Å; D809-T811 PolarHBondContact OD2-OG1 3.42Å; D809-T811 VanDerWaalsContact OD2-OG1 3.12Å
812	K	83.1	Confident	83.3	Confident	90 Å²	90	61 Å²	61	39%	0.391	32%	0.318	S	S	.	.			trans	-71	142.8	-178.2	-65.1	175.3	-172.4	167	0	112.2	Q807 D808 D809	Q807-K812 PolarHBondContact NE2-O 3.11Å; D808-K812 IonicContact OD1-NZ 3.54Å; D808-K812 PolarHBondContact OD1-NZ 2.93Å; D808-K812 IonicContact OD2-NZ 2.66Å; D808-K812 PolarHBondContact OD2-NZ 3.39Å; D809-K812 HydrophobicContact CB-CD 3.9Å; D809-K812 HydrophobicContact CB-CG 4.05Å; D809-K812 PolarHBondContact O-N 2.9Å; D809-K812 WeakPolarHBondContact OD2-CE 3.33Å
813	E	87.7	Confident	83.9	Confident	47 Å²	47	64 Å²	64	22%	0.22	33%	0.334	C	S	.	.			trans	-112.4	130.5	-178.4	-76.1	175.8	-170.6	0	0	112.8	R757 L793 R794	R757-E813 IonicContact CZ-OE2 3.81Å; R757-E813 IonicContact NE-OE1 3.58Å; R757-E813 PolarHBondContact NE-OE1 3.39Å; R757-E813 IonicContact NE-OE2 2.76Å; R757-E813 PolarHBondContact NE-OE2 3.32Å; R757-E813 IonicContact NH2-OE2 2.86Å; R757-E813 PolarHBondContact NH2-OE2 2.9Å; L793-E813 CarbonylContact O-C 3.51Å; L793-E813 WeakPolarHBondContact O-CA 3.28Å; R794-E813 HydrophobicContact CG-CG 3.42Å; R794-E813 VanDerWaalsContact CG-CG 3.42Å; R794-E813 IonicContact CZ-OE1 2.76Å; R794-E813 VanDerWaalsContact CZ-OE1 3.26Å; R794-E813 IonicContact NE-OE1 3.16Å; R794-E813 PolarHBondContact NE-OE1 3.01Å; R794-E813 IonicContact NH2-OE1 3.47Å; R794-E813 PolarHBondContact NH2-OE1 3.05Å
814	Y	89.3	Confident	84.8	Confident	64 Å²	64	56.1 Å²	56.1	25%	0.251	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	115.4	163.9	-162.9	-100.5	0	0	0	108.8	L793 L801 T816 I824	L793-Y814 PolarHBondContact N-O 3.06Å; L793-Y814 PolarHBondContact O-N 3.4Å; L801-Y814 HydrophobicContact CD1-CD2 4.01Å; L801-Y814 HydrophobicContact CD2-CD2 4.36Å; L801-Y814 HydrophobicContact CD2-CG 4.39Å; Y814-T816 HydrophobicContact CD1-CG2 3.85Å; Y814-T816 HydrophobicContact CE1-CG2 4.2Å; Y814-I824 HydrophobicContact CD1-CD1 3.84Å; Y814-I824 HydrophobicContact CD1-CG1 4.08Å; Y814-I824 HydrophobicContact CE1-CB 4.22Å; Y814-I824 HydrophobicContact CE1-CD1 3.71Å; Y814-I824 HydrophobicContact CE1-CG1 3.94Å
815	I	90.7	Very high	85.7	Confident	90 Å²	90	54.1 Å²	54.1	46%	0.462	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.6	-179.3	-61.1	169.5	0	0	0	109	L759 K790 L791	L759-I815 HydrophobicContact CD1-CG2 4.17Å; L759-I815 HydrophobicContact CD2-CD1 4.21Å; L759-I815 HydrophobicContact CD2-CG1 4.43Å; L759-I815 HydrophobicContact CD2-CG2 3.72Å; K790-I815 HydrophobicContact CB-CG2 4.09Å; K790-I815 HydrophobicContact CD-CG2 4.09Å; L791-I815 WeakPolarHBondContact O-CA 3.37Å
816	T	91	Very high	86.1	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.043	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.4	-172	177	0	0	0	0	112.6	K790 L791 L793 Y814 I818 D821 I824	K790-T816 CarbonylContact C-O 3.51Å; K790-T816 VanDerWaalsContact CA-O 3.23Å; K790-T816 WeakPolarHBondContact CA-O 3.43Å; K790-T816 WeakPolarHBondContact CB-O 3.25Å; L791-T816 PolarHBondContact N-O 2.87Å; L791-T816 PolarHBondContact O-N 3.32Å; L793-T816 HydrophobicContact CD1-CG2 3.69Å; L793-T816 HydrophobicContact CG-CG2 4.21Å; Y814-T816 HydrophobicContact CD1-CG2 3.85Å; Y814-T816 HydrophobicContact CE1-CG2 4.2Å; T816-I818 HydrophobicContact CG2-CG2 4.29Å; T816-D821 WeakPolarHBondContact CB-OD2 3.33Å; T816-D821 WeakPolarHBondContact OG1-CB 3.47Å; T816-D821 VanDerWaalsContact OG1-CG 3.26Å; T816-D821 PolarHBondContact OG1-OD2 2.84Å; T816-I824 HydrophobicContact CG2-CG1 4.43Å; T816-I824 HydrophobicContact CG2-CG2 4.08Å
817	C	90.3	Very high	86.4	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.041	27%	0.265	C	S	.	.			trans	-102.7	103.8	163.8	-173	0	0	0	0	109.9	C767 K790 F819 C820 D821	C767-C817 HydrophobicContact CB-CB 3.58Å; C767-C817 WeakPolarHBondContact CB-SG 3.41Å; C767-C817 WeakPolarHBondContact SG-CB 3.42Å; C767-C817 VanDerWaalsContact SG-SG 3.69Å; K790-C817 HydrophobicContact CG-CB 4.19Å; C817-F819 PolarHBondContact O-N 3.18Å; C817-C820 PolarHBondContact O-N 3.5Å; C817-C820 VanDerWaalsContact O-N 3.1Å; C817-D821 WeakPolarHBondContact O-CB 3.48Å; C817-D821 PolarHBondContact O-N 2.77Å
818	I	89.9	Confident	86.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-2.9	-179	67.5	159.9	0	0	0	114.8	L735 I747 F749 L791 T816 C825 I832	L735-I818 HydrophobicContact CD1-CD1 3.59Å; I747-I818 HydrophobicContact CD1-CD1 4.41Å; F749-I818 HydrophobicContact CE1-CG2 4.35Å; F749-I818 HydrophobicContact CZ-CD1 4.19Å; L791-I818 HydrophobicContact CD1-CD1 4.02Å; L791-I818 HydrophobicContact CD1-CG1 4.21Å; L791-I818 HydrophobicContact CD1-CG2 4.15Å; T816-I818 HydrophobicContact CG2-CG2 4.29Å; I818-C825 PolarHBondContact O-SG 2.77Å; I818-I832 HydrophobicContact CD1-CD1 4.3Å; I818-I832 HydrophobicContact CG1-CD1 4.39Å; I818-I832 WeakPolarHBondContact O-CD1 3.4Å
819	F	87.3	Confident	86.9	Confident	21 Å²	21	52 Å²	52	9%	0.092	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-19.7	177.7	-60.4	-81	0	0	0	112.9	V688 A689 L698 L735 I747 F773 P788 C817 I832	V688-F819 HydrophobicContact CG1-CE2 4.21Å; A689-F819 HydrophobicContact CB-CD2 4.37Å; A689-F819 HydrophobicContact CB-CE1 4.09Å; A689-F819 HydrophobicContact CB-CE2 3.67Å; A689-F819 HydrophobicContact CB-CZ 3.51Å; L698-F819 HydrophobicContact CD1-CE1 4.09Å; L698-F819 HydrophobicContact CD1-CZ 3.97Å; L735-F819 HydrophobicContact CD1-CZ 4.27Å; I747-F819 HydrophobicContact CD1-CE1 4.32Å; F773-F819 HydrophobicContact CD1-CB 4.46Å; F773-F819 WeakPolarHBondContact CE1-O 3.39Å; P788-F819 HydrophobicContact CB-CD2 3.75Å; P788-F819 HydrophobicContact CB-CE2 4.18Å; P788-F819 HydrophobicContact CB-CG 4.46Å; P788-F819 HydrophobicContact CG-CD2 4.4Å; C817-F819 PolarHBondContact O-N 3.18Å; F819-I832 HydrophobicContact CD1-CD1 3.64Å; F819-I832 HydrophobicContact CD1-CG2 4.41Å; F819-I832 HydrophobicContact CE1-CD1 3.88Å; F819-I832 HydrophobicContact CG-CD1 4.35Å
820	C	85.8	Confident	87	Confident	31 Å²	31	50.3 Å²	50.3	21%	0.209	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-2.2	179.9	70.5	0	0	0	0	115	C767 R769 C770 F773 C817 E822	C767-C820 PolarHBondContact SG-SG 3.1Å; R769-C820 HydrophobicContact CB-CB 4.28Å; C770-C820 VanDerWaalsContact SG-CB 3.56Å; F773-C820 HydrophobicContact CZ-CB 4.18Å; C817-C820 PolarHBondContact O-N 3.5Å; C817-C820 VanDerWaalsContact O-N 3.1Å; C820-E822 PolarHBondContact O-N 2.89Å
821	D	87.5	Confident	86.9	Confident	30 Å²	30	56.2 Å²	56.2	16%	0.16	29%	0.285	C	S	.	.			trans	-87.6	90.1	171.3	-175.8	-19.8	0	0	0	108.4	T816 C817 D823 I824 C825	T816-D821 WeakPolarHBondContact CB-OD2 3.33Å; T816-D821 WeakPolarHBondContact OG1-CB 3.47Å; T816-D821 VanDerWaalsContact OG1-CG 3.26Å; T816-D821 PolarHBondContact OG1-OD2 2.84Å; C817-D821 WeakPolarHBondContact O-CB 3.48Å; C817-D821 PolarHBondContact O-N 2.77Å; D821-D823 VanDerWaalsContact C-N 3.29Å; D821-D823 PolarHBondContact O-N 2.99Å; D821-D823 PolarHBondContact OD1-N 3.11Å; D821-I824 HydrophobicContact CB-CG2 3.68Å; D821-I824 PolarHBondContact OD1-N 3.11Å; D821-I824 WeakPolarHBondContact OD2-CG2 3.32Å; D821-C825 WeakPolarHBondContact O-CB 3.43Å; D821-C825 PolarHBondContact O-N 3.37Å; D821-C825 PolarHBondContact O-SG 3Å
822	E	84.4	Confident	86.7	Confident	142 Å²	142	53.9 Å²	53.9	66%	0.664	27%	0.269	S	S	*	.	H	α-helix	trans	-65.5	-32.9	-178.8	-67.3	-170.1	-167.2	0	0	112.6	C820 C825 R826	C820-E822 PolarHBondContact O-N 2.89Å; E822-C825 PolarHBondContact O-N 2.97Å; E822-R826 VanDerWaalsContact O-CB 3.24Å; E822-R826 WeakPolarHBondContact O-CB 3.17Å; E822-R826 PolarHBondContact O-N 3.5Å; E822-R826 IonicContact OE2-NH2 3.83Å
823	D	85.2	Confident	85.7	Confident	74 Å²	74	60 Å²	60	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-72.5	-44	-175	-64.4	-41.2	0	0	0	111	P802 D821 C825 R826 I827	P802-D823 HydrophobicContact CB-CB 4.13Å; P802-D823 HydrophobicContact CG-CB 3.97Å; D821-D823 VanDerWaalsContact C-N 3.29Å; D821-D823 PolarHBondContact O-N 2.99Å; D821-D823 PolarHBondContact OD1-N 3.11Å; D823-C825 VanDerWaalsContact C-N 3.32Å; D823-C825 PolarHBondContact O-N 3.46Å; D823-R826 PolarHBondContact O-N 3.4Å; D823-R826 IonicContact OD1-CZ 3.15Å; D823-R826 IonicContact OD1-NH1 3.59Å; D823-R826 PolarHBondContact OD1-NH1 3.17Å; D823-R826 IonicContact OD1-NH2 3.57Å; D823-I827 WeakPolarHBondContact O-CB 3.31Å; D823-I827 WeakPolarHBondContact O-CG1 3.44Å; D823-I827 PolarHBondContact O-N 2.67Å
824	I	89.2	Confident	84.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-35.5	172.9	-151.9	65.2	0	0	0	111.2	L793 F795 L801 P802 Y814 T816 D821 I827 L828	L793-I824 HydrophobicContact CD1-CG1 4.37Å; F795-I824 HydrophobicContact CZ-CD1 4.18Å; L801-I824 HydrophobicContact CD2-CD1 3.88Å; P802-I824 HydrophobicContact CG-CD1 4.03Å; Y814-I824 HydrophobicContact CD1-CD1 3.84Å; Y814-I824 HydrophobicContact CD1-CG1 4.08Å; Y814-I824 HydrophobicContact CE1-CB 4.22Å; Y814-I824 HydrophobicContact CE1-CD1 3.71Å; Y814-I824 HydrophobicContact CE1-CG1 3.94Å; T816-I824 HydrophobicContact CG2-CG1 4.43Å; T816-I824 HydrophobicContact CG2-CG2 4.08Å; D821-I824 HydrophobicContact CB-CG2 3.68Å; D821-I824 PolarHBondContact OD1-N 3.11Å; D821-I824 WeakPolarHBondContact OD2-CG2 3.32Å; I824-I827 PolarHBondContact O-N 2.82Å; I824-L828 HydrophobicContact CG1-CD1 3.9Å; I824-L828 HydrophobicContact CG1-CG 4.29Å; I824-L828 VanDerWaalsContact O-CB 3.22Å; I824-L828 WeakPolarHBondContact O-CB 3.16Å; I824-L828 WeakPolarHBondContact O-CG 3.29Å; I824-L828 PolarHBondContact O-N 2.82Å
825	C	88.4	Confident	81.8	Confident	17 Å²	17	64.1 Å²	64.1	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-42	176.2	-70.7	0	0	0	0	112	I818 D821 E822 D823 L828 G829 I830	I818-C825 PolarHBondContact O-SG 2.77Å; D821-C825 WeakPolarHBondContact O-CB 3.43Å; D821-C825 PolarHBondContact O-N 3.37Å; D821-C825 PolarHBondContact O-SG 3Å; E822-C825 PolarHBondContact O-N 2.97Å; D823-C825 VanDerWaalsContact C-N 3.32Å; D823-C825 PolarHBondContact O-N 3.46Å; C825-L828 PolarHBondContact O-N 2.81Å; C825-G829 PolarHBondContact O-N 2.89Å; C825-I830 PolarHBondContact O-N 2.56Å
826	R	86.1	Confident	79.2	Confident	157 Å²	157	65.9 Å²	65.9	59%	0.592	33%	0.332	S	S	*	.	H	α-helix	trans	-63.5	-42.2	176.2	-161.5	-178.8	-53.7	115.5	5.6	111.5	E822 D823 G829	E822-R826 VanDerWaalsContact O-CB 3.24Å; E822-R826 WeakPolarHBondContact O-CB 3.17Å; E822-R826 PolarHBondContact O-N 3.5Å; E822-R826 IonicContact OE2-NH2 3.83Å; D823-R826 PolarHBondContact O-N 3.4Å; D823-R826 IonicContact OD1-CZ 3.15Å; D823-R826 IonicContact OD1-NH1 3.59Å; D823-R826 PolarHBondContact OD1-NH1 3.17Å; D823-R826 IonicContact OD1-NH2 3.57Å; R826-G829 PolarHBondContact O-N 3.24Å
827	I	85.9	Confident	76.2	Confident	70 Å²	70	73.5 Å²	73.5	36%	0.359	37%	0.372	S	S	.	.	H	α-helix	trans	-69.8	-34	176.2	-78.1	164.6	0	0	0	112.6	F799 P802 D823 I824	F799-I827 HydrophobicContact CE1-CG2 3.57Å; F799-I827 HydrophobicContact CZ-CG2 3.55Å; P802-I827 HydrophobicContact CG-CD1 3.87Å; D823-I827 WeakPolarHBondContact O-CB 3.31Å; D823-I827 WeakPolarHBondContact O-CG1 3.44Å; D823-I827 PolarHBondContact O-N 2.67Å; I824-I827 PolarHBondContact O-N 2.82Å
828	L	88.4	Confident	73.5	Confident	8 Å²	8	77 Å²	77	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-82.7	-8.9	177.6	-69.8	172.3	0	0	0	114	F749 P750 V753 L793 F795 I824 C825 I830	F749-L828 HydrophobicContact CD1-CD1 4.39Å; P750-L828 HydrophobicContact CG-CB 4.32Å; P750-L828 HydrophobicContact CG-CD2 3.69Å; P750-L828 WeakPolarHBondContact CG-O 3.48Å; V753-L828 HydrophobicContact CG2-CD2 3.42Å; V753-L828 VanDerWaalsContact CG2-CD2 3.42Å; L793-L828 HydrophobicContact CD1-CD1 3.96Å; F795-L828 HydrophobicContact CE1-CD2 3.75Å; F795-L828 HydrophobicContact CZ-CD2 4.34Å; I824-L828 HydrophobicContact CG1-CD1 3.9Å; I824-L828 HydrophobicContact CG1-CG 4.29Å; I824-L828 VanDerWaalsContact O-CB 3.22Å; I824-L828 WeakPolarHBondContact O-CB 3.16Å; I824-L828 WeakPolarHBondContact O-CG 3.29Å; I824-L828 PolarHBondContact O-N 2.82Å; C825-L828 PolarHBondContact O-N 2.81Å; L828-I830 HydrophobicContact CB-CB 4.31Å; L828-I830 HydrophobicContact CB-CD1 3.74Å; L828-I830 HydrophobicContact CB-CG1 3.81Å; L828-I830 HydrophobicContact CD1-CD1 3.79Å; L828-I830 HydrophobicContact CG-CD1 4.37Å; L828-I830 PolarHBondContact O-N 2.76Å
829	G	85.9	Confident	70.7	Confident	54 Å²	54	83 Å²	83	56%	0.557	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	22.4	-171.1	0	0	0	0	0	113.8	C825 R826	C825-G829 PolarHBondContact O-N 2.89Å; R826-G829 PolarHBondContact O-N 3.24Å
830	I	85.9	Confident	68	Low	12 Å²	12	89.3 Å²	89.3	6%	0.062	47%	0.472	C	S	.	.			trans	-90.4	113.5	-175.8	-72.1	175.6	0	0	0	109.9	I747 F749 C825 L828 I832	I747-I830 HydrophobicContact CG2-CD1 4.15Å; I747-I830 HydrophobicContact CG2-CG1 4.3Å; I747-I830 HydrophobicContact CG2-CG2 3.64Å; F749-I830 HydrophobicContact CD1-CD1 3.7Å; F749-I830 HydrophobicContact CE1-CD1 3.87Å; F749-I830 HydrophobicContact CG-CD1 4.49Å; C825-I830 PolarHBondContact O-N 2.56Å; L828-I830 HydrophobicContact CB-CB 4.31Å; L828-I830 HydrophobicContact CB-CD1 3.74Å; L828-I830 HydrophobicContact CB-CG1 3.81Å; L828-I830 HydrophobicContact CD1-CD1 3.79Å; L828-I830 HydrophobicContact CG-CD1 4.37Å; L828-I830 PolarHBondContact O-N 2.76Å; I830-I832 HydrophobicContact CG2-CD1 4.41Å; I830-I832 HydrophobicContact CG2-CG1 3.87Å
831	H	80.6	Confident	65.5	Low	178 Å²	178	92.8 Å²	92.8	82%	0.824	50%	0.497	S	S	*	.			trans	-105.7	99.4	173.7	-69.1	-73.3	0	0	0	111.2
832	I	78.1	Confident	63	Low	33 Å²	33	95.9 Å²	95.9	17%	0.169	52%	0.52	C	S	.	.			trans	-84.2	116	171.7	-57.3	-171.7	0	0	0	108.8	I747 I818 F819 I830 L834	I747-I832 HydrophobicContact CD1-CD1 3.71Å; I747-I832 HydrophobicContact CD1-CG1 3.9Å; I818-I832 HydrophobicContact CD1-CD1 4.3Å; I818-I832 HydrophobicContact CG1-CD1 4.39Å; I818-I832 WeakPolarHBondContact O-CD1 3.4Å; F819-I832 HydrophobicContact CD1-CD1 3.64Å; F819-I832 HydrophobicContact CD1-CG2 4.41Å; F819-I832 HydrophobicContact CE1-CD1 3.88Å; F819-I832 HydrophobicContact CG-CD1 4.35Å; I830-I832 HydrophobicContact CG2-CD1 4.41Å; I830-I832 HydrophobicContact CG2-CG1 3.87Å; I832-L834 HydrophobicContact CG2-CD2 3.98Å; I832-L834 HydrophobicContact CG2-CG 4.16Å; I832-L834 PolarHBondContact O-N 3.01Å
833	R	63.2	Low	60.6	Low	218 Å²	218	97.6 Å²	97.6	82%	0.823	53%	0.528	S	S	*	.			trans	-76.6	92.3	172.3	-71.2	-172.5	-179.5	-174.8	-0	110
834	L	55.6	Low	58	Low	71 Å²	71	99.7 Å²	99.7	37%	0.372	54%	0.544	S	S	.	.			trans	-77.2	146.6	165.8	-60.5	170.2	0	0	0	109.4	F773 I832 N836	F773-L834 HydrophobicContact CD1-CD1 4.03Å; F773-L834 HydrophobicContact CD1-CD2 3.87Å; F773-L834 HydrophobicContact CE1-CD1 3.57Å; F773-L834 HydrophobicContact CE1-CD2 4.27Å; I832-L834 HydrophobicContact CG2-CD2 3.98Å; I832-L834 HydrophobicContact CG2-CG 4.16Å; I832-L834 PolarHBondContact O-N 3.01Å; L834-N836 PolarHBondContact O-N 2.91Å
835	V	39.1	Very low	55.2	Low	126 Å²	126	105.6 Å²	105.6	76%	0.764	58%	0.581	S	S	*	*			trans	-86.3	94.1	176.3	-177.9	0	0	0	0	107.9	N837	V835-N837 PolarHBondContact O-N 2.84Å; V835-N837 VanDerWaalsContact O-N 3.11Å
836	N	35.2	Very low	52.6	Low	127 Å²	127	111.2 Å²	111.2	68%	0.679	61%	0.614	S	S	*	*			trans	-63.2	110.2	-177.7	-87.8	23.6	0	0	0	112.1	L834 S838	L834-N836 PolarHBondContact O-N 2.91Å; N836-S838 PolarHBondContact O-N 3.35Å
837	N	28.5	Very low	50.1	Low	168 Å²	168	108 Å²	108	90%	0.898	62%	0.616	S	S	*	*			trans	-69.3	111.4	149.5	-94.4	-13.7	0	0	0	107.5	V835	V835-N837 PolarHBondContact O-N 2.84Å; V835-N837 VanDerWaalsContact O-N 3.11Å
838	S	32.8	Very low	47.8	Very low	80 Å²	80	110.9 Å²	110.9	56%	0.559	63%	0.632	S	S	*	*			trans	-144.4	72.8	-179.4	-64.6	0	0	0	0	111.1	N836 I840	N836-S838 PolarHBondContact O-N 3.35Å; S838-I840 PolarHBondContact O-N 3.03Å
839	S	31.8	Very low	45.4	Very low	125 Å²	125	118 Å²	118	87%	0.874	67%	0.665	S	S	*	*			trans	-72.8	74.1	163.6	55.8	0	0	0	0	110.6
840	I	30.2	Very low	43.1	Very low	154 Å²	154	121.4 Å²	121.4	79%	0.79	67%	0.669	S	S	*	*			trans	39.5	105.1	139.4	-57.2	172.2	0	0	0	116.3	S838	S838-I840 PolarHBondContact O-N 3.03Å
841	S	33.7	Very low	40.9	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	71%	0.705	S	S	*	*			trans	-74.1	124.2	153.6	52.7	0	0	0	0	110.9
842	S	34.5	Very low	38.9	Very low	94 Å²	94	123 Å²	123	66%	0.657	69%	0.692	S	S	*	*	S	Bend	trans	28	115.2	147.6	57.2	0	0	0	0	121.1
843	Q	33.6	Very low	37.1	Very low	178 Å²	178	127.8 Å²	127.8	83%	0.832	72%	0.718	S	S	*	*			trans	90.9	126.2	136.5	-65.3	179.3	-3.7	0	0	122.2
844	T	32.2	Very low	35.9	Very low	119 Å²	119	127.9 Å²	127.9	73%	0.73	72%	0.718	S	S	*	*			trans	66.2	105.9	149.5	37.5	0	0	0	0	121.8
845	T	29.4	Very low	35.2	Very low	124 Å²	124	131.4 Å²	131.4	76%	0.761	74%	0.738	S	S	*	*				43.6	141.8	120.5	57.9	0	0	0	0	120.2
846	V	33.2	Very low	35.6	Very low	134 Å²	134	130 Å²	130	81%	0.812	73%	0.731	S	S	*	*			cis	-140.3	163.4	43.4	175.4	0	0	0	0	112.4
847	S	34	Very low	35.8	Very low	90 Å²	90	131.6 Å²	131.6	63%	0.629	74%	0.739	S	S	*	*			trans	-71.1	157.5	-169.3	55.7	0	0	0	0	118.1
848	N	36.9	Very low	36.5	Very low	131 Å²	131	128.9 Å²	128.9	70%	0.701	73%	0.73	S	S	*	*				175.4	118.8	114.1	-85.7	6.1	0	0	0	109.1
849	E	38.4	Very low	36.8	Very low	157 Å²	157	130 Å²	130	73%	0.734	74%	0.738	S	S	*	*				78.2	131.1	80.3	-83.6	-154.5	161.4	0	0	113.7
850	L	39	Very low	37.1	Very low	125 Å²	125	132.2 Å²	132.2	65%	0.654	73%	0.734	S	S	*	*			cis	-152.4	160.1	10.6	-81.6	124.7	0	0	0	113.1
851	I	37.9	Very low	37.4	Very low	156 Å²	156	129.5 Å²	129.5	80%	0.8	73%	0.725	S	S	*	*			trans	64.1	136.2	139.5	-73.6	170.4	0	0	0	120
852	A	39.5	Very low	37.5	Very low	67 Å²	67	134.7 Å²	134.7	55%	0.554	73%	0.729	S	S	*	*			cis	-169.7	154.7	-9.1	0	0	0	0	0	114.7
853	N	40	Very low	37.7	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	73%	0.729	S	S	*	*			trans	42	131.9	134.9	-62.6	-40.3	0	0	0	121.2
854	R	38.5	Very low	37.9	Very low	219 Å²	219	136.1 Å²	136.1	83%	0.826	73%	0.726	S	S	*	*			cis	-147.2	168.3	7.2	-89.7	135.4	-177.8	176.1	-1.2	110.5
855	D	40.4	Very low	38.1	Very low	146 Å²	146	135.5 Å²	135.5	78%	0.781	73%	0.727	S	S	*	*			cis	87.5	158.4	20.4	-121	34.4	0	0	0	115.5
856	P	47.6	Very low	38.5	Very low	95 Å²	95	134.2 Å²	134.2	62%	0.617	72%	0.723	S	S	*	*				-143.6	-164.8	-116.7	39	-15.1	0	0	0	116.1
857	L	38.9	Very low	38.8	Very low	162 Å²	162	133.1 Å²	133.1	85%	0.848	72%	0.721	S	S	*	*				-178.7	162.6	124.8	-116.6	78.7	0	0	0	114.5
858	P	43.6	Very low	39.2	Very low	110 Å²	110	136.7 Å²	136.7	71%	0.714	73%	0.733	S	S	*	*			trans	-129.8	-148.2	-173.9	46.4	-31.5	0	0	0	115.6
859	S	38.5	Very low	39.9	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	73%	0.732	S	S	*	*			trans	88.3	151.2	172.5	79.7	0	0	0	0	117
860	Q	38.9	Very low	40.2	Very low	171 Å²	171	134.2 Å²	134.2	80%	0.799	74%	0.737	S	S	*	*			cis	-171.5	173	-13.8	-103.2	-171.9	112.4	0	0	107.1
861	T	36.9	Very low	40.1	Very low	97 Å²	97	133.6 Å²	133.6	60%	0.595	74%	0.743	S	S	*	*			cis	-167.9	160.9	0.8	11	0	0	0	0	112.8
862	R	36.4	Very low	40.1	Very low	215 Å²	215	130.3 Å²	130.3	81%	0.811	73%	0.734	S	S	*	*			trans	71	127.2	141.5	-76.8	175.6	-172.4	-178.5	3	124.8
863	N	38.4	Very low	39.9	Very low	124 Å²	124	136.3 Å²	136.3	66%	0.663	75%	0.748	S	S	*	*				102.9	120.3	122.7	-73.8	11.5	0	0	0	126.4
864	F	37.1	Very low	39.7	Very low	177 Å²	177	134.8 Å²	134.8	78%	0.776	75%	0.748	S	S	*	*				89	136.2	128.6	-84.3	-126.8	0	0	0	125.5
865	S	37.3	Very low	39.5	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	74%	0.739	S	S	*	*			trans	69.8	154.8	146.3	-66	0	0	0	0	121.6
866	S	37.9	Very low	39.3	Very low	98 Å²	98	128.3 Å²	128.3	69%	0.685	74%	0.742	S	S	*	*			cis	-172.1	165.4	-13.5	49.1	0	0	0	0	113.5
867	S	38	Very low	38.7	Very low	110 Å²	110	127 Å²	127	77%	0.769	75%	0.746	S	S	*	*			trans	63.1	169.2	157.5	54.6	0	0	0	0	121
868	L	42.7	Very low	38.8	Very low	166 Å²	166	127 Å²	127	87%	0.869	75%	0.745	S	S	*	*				176.1	165	-55.1	-96.1	168.9	0	0	0	108.8
869	P	52.2	Low	38.5	Very low	106 Å²	106	128.3 Å²	128.3	69%	0.688	75%	0.746	S	S	*	*			trans	-115	-169.7	-166.6	44.5	-37.3	0	0	0	115.4
870	P	45.2	Very low	38.4	Very low	130 Å²	130	127.2 Å²	127.2	84%	0.844	74%	0.738	S	S	*	*			trans	-131.4	-175.4	151	38.1	-23.3	0	0	0	114.9
871	S	36.2	Very low	38.3	Very low	111 Å²	111	125 Å²	125	78%	0.776	73%	0.732	S	S	*	*			trans	-149.3	-175.7	-160.6	61.6	0	0	0	0	115.6
872	S	37.5	Very low	38.3	Very low	88 Å²	88	127.9 Å²	127.9	62%	0.615	74%	0.738	S	S	*	*			trans	107.5	153.4	145.9	73.4	0	0	0	0	122.9
873	F	35.8	Very low	38.2	Very low	193 Å²	193	122.7 Å²	122.7	85%	0.846	73%	0.727	S	S	*	*			trans	71.8	162.4	170.1	-58.7	-74.1	0	0	0	119.5
874	S	34.8	Very low	38	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	73%	0.73	S	S	*	*			cis	176.8	164.6	-41.7	-95.1	0	0	0	0	110
875	S	36.1	Very low	37.7	Very low	92 Å²	92	120.5 Å²	120.5	64%	0.643	72%	0.722	S	S	*	*			cis	-177	154.1	-26.3	55.4	0	0	0	0	111.4
876	T	36.1	Very low	37.4	Very low	138 Å²	138	122.1 Å²	122.1	85%	0.847	72%	0.723	S	S	*	*			trans	66.3	150.9	167.2	61.1	0	0	0	0	119.2
877	G	35.4	Very low	36.9	Very low	67 Å²	67	124 Å²	124	69%	0.691	72%	0.724	S	S	*	*			cis	-143.3	-131.1	-0.5	0	0	0	0	0	110
878	I	39.4	Very low	36.5	Very low	163 Å²	163	125.4 Å²	125.4	84%	0.836	72%	0.722	S	S	*	*			cis	169.6	133.6	-21.4	-102.1	165.8	0	0	0	104.8
879	D	37.2	Very low	35.9	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	72%	0.719	S	S	*	*			cis	-144.6	-153.2	-7.7	-163.3	33.6	0	0	0	106.6
880	S	37.6	Very low	34.9	Very low	80 Å²	80	124.6 Å²	124.6	56%	0.559	72%	0.719	S	S	*	*			cis	-163.7	172.3	7.9	-153.6	0	0	0	0	113.7
881	N	36.5	Very low	34.3	Very low	125 Å²	125	128.2 Å²	128.2	67%	0.668	72%	0.721	S	S	*	*			trans	-4.5	145.9	156.7	-65.9	-56.3	0	0	0	120.7
882	H	37.3	Very low	34.5	Very low	158 Å²	158	127.8 Å²	127.8	73%	0.731	72%	0.716	S	S	*	*			cis	-169.3	171.6	19.9	-127.6	39.2	0	0	0	108.7
883	N	33.6	Very low	34.2	Very low	105 Å²	105	133.3 Å²	133.3	56%	0.561	72%	0.724	S	S	*	*			cis	-177	177.3	-28.2	-167.4	0.3	0	0	0	109.9
884	F	33.2	Very low	34	Very low	169 Å²	169	130.6 Å²	130.6	74%	0.741	72%	0.718	S	S	*	*			trans	61.3	91.7	165.4	-79.8	-77.2	0	0	0	122.4
885	S	31.5	Very low	33.8	Very low	86 Å²	86	132.3 Å²	132.3	60%	0.601	72%	0.719	S	S	*	*				59	138.4	118.7	73.5	0	0	0	0	124.9
886	N	30.4	Very low	33.6	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	73%	0.727	S	S	*	*			trans	96.5	121.9	135.7	-76.5	-9.6	0	0	0	123.4
887	L	29.3	Very low	33.5	Very low	137 Å²	137	137.2 Å²	137.2	72%	0.717	73%	0.726	S	S	*	*			trans	70	118.1	145.1	-85	74.9	0	0	0	122.5
888	L	28.9	Very low	33.6	Very low	139 Å²	139	138.6 Å²	138.6	73%	0.728	72%	0.723	S	S	*	*			trans	69.1	132.1	134.8	-61.7	173.4	0	0	0	122.6
889	H	29.9	Very low	33.3	Very low	172 Å²	172	137 Å²	137	80%	0.796	72%	0.721	S	S	*	*			trans	72.3	106.4	140.2	-85.4	69.5	0	0	0	121.8
890	A	31.8	Very low	33.3	Very low	83 Å²	83	135.6 Å²	135.6	69%	0.686	72%	0.722	S	S	*	*				80.5	113	117.5	0	0	0	0	0	122
891	K	32.2	Very low	33.2	Very low	207 Å²	207	137.5 Å²	137.5	90%	0.9	73%	0.726	S	S	*	*			trans	79	159.6	140.5	-77.2	-173.3	174.3	-179.9	0	118.4
892	P	39.8	Very low	33.3	Very low	102 Å²	102	139.1 Å²	139.1	66%	0.662	73%	0.729	S	S	*	*			trans	-114.7	165.6	-151.7	41.7	-33.4	0	0	0	114.5
893	Y	30.7	Very low	33.2	Very low	203 Å²	203	136 Å²	136	80%	0.796	73%	0.725	S	S	*	*				172.9	159	122.6	-103.6	-69.6	0	0	0	112.6
894	L	32.1	Very low	33.5	Very low	137 Å²	137	136.2 Å²	136.2	72%	0.717	74%	0.735	S	S	*	*			trans	66.4	105.6	148.5	-71.2	163.2	0	0	0	122
895	N	30.1	Very low	33.8	Very low	138 Å²	138	135.2 Å²	135.2	74%	0.738	73%	0.732	S	S	*	*				83.8	143.4	118.8	-89.5	-5.9	0	0	0	124.7
896	L	32	Very low	34	Very low	153 Å²	153	137.4 Å²	137.4	80%	0.801	74%	0.737	S	S	*	*			trans	69.1	99.3	157.1	-86.6	81.3	0	0	0	121.7
897	H	35.3	Very low	34.3	Very low	180 Å²	180	136.2 Å²	136.2	83%	0.833	74%	0.735	S	S	*	*				-3.9	165.7	115.1	-92.9	-42	0	0	0	120
898	P	37.9	Very low	34.6	Very low	95 Å²	95	137 Å²	137	62%	0.617	74%	0.739	S	S	*	*			cis	-143.4	-167.7	5.9	31.7	-6.5	0	0	0	116.8
899	T	32.8	Very low	35	Very low	131 Å²	131	136 Å²	136	80%	0.804	74%	0.741	S	S	*	*			trans	71.2	152.3	160.2	62.5	0	0	0	0	118.3
900	S	36	Very low	35.2	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	75%	0.745	S	S	*	*			cis	-170.1	-169.6	-20	55.7	0	0	0	0	107.4
901	N	35.4	Very low	35.3	Very low	119 Å²	119	139.9 Å²	139.9	64%	0.636	75%	0.747	S	S	*	*			cis	-162.8	-177.9	5.6	-164.1	22.5	0	0	0	110.8
902	H	38.6	Very low	35.5	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.736	74%	0.741	S	S	*	*			trans	74.3	143.3	161.5	-62.7	-75.6	0	0	0	120.1
903	S	36.6	Very low	35	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	75%	0.748	S	S	*	*			cis	-168.7	156.4	-21.5	50.3	0	0	0	0	115.5
904	S	39.1	Very low	35.2	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	76%	0.756	S	S	*	*			trans	86.3	155.6	147.7	90.8	0	0	0	0	117.4
905	H	39.4	Very low	35.1	Very low	149 Å²	149	136.9 Å²	136.9	69%	0.69	75%	0.754	S	S	*	*			cis	-155.1	138.3	-4.2	-159.3	-105.8	0	0	0	113.5
906	N	36.9	Very low	35	Very low	132 Å²	132	142.2 Å²	142.2	71%	0.706	76%	0.763	S	S	*	*			trans	166.5	129.7	130.7	-90.1	-16.5	0	0	0	113.8
907	T	36.7	Very low	35	Very low	116 Å²	116	140.5 Å²	140.5	71%	0.712	77%	0.765	S	S	*	*			trans	37.2	104	153.6	55.6	0	0	0	0	119
908	L	35.6	Very low	34.6	Very low	154 Å²	154	137.8 Å²	137.8	81%	0.806	76%	0.76	S	S	*	*				64	148.4	51.6	-61.2	174	0	0	0	114.7
909	P	36.5	Very low	34.1	Very low	118 Å²	118	139.8 Å²	139.8	77%	0.766	77%	0.766	S	S	*	*			cis	-126.4	-178.8	15.3	46.2	-32.6	0	0	0	114
910	R	33.2	Very low	33.9	Very low	232 Å²	232	141.4 Å²	141.4	88%	0.875	77%	0.769	S	S	*	*			cis	-151.6	150	-2.6	-142.2	172	178.8	172.6	-2	109.5
911	S	33.7	Very low	33.6	Very low	103 Å²	103	141 Å²	141	72%	0.72	77%	0.773	S	S	*	*			trans	-110.8	-176.1	169.5	-46.6	0	0	0	0	110.4
912	P	36.6	Very low	33.3	Very low	122 Å²	122	145 Å²	145	79%	0.792	79%	0.787	S	S	*	*				-144.6	164.2	73	37.8	-19.4	0	0	0	116.7
913	N	30.3	Very low	32.8	Very low	151 Å²	151	142.7 Å²	142.7	81%	0.807	80%	0.796	S	S	*	*			trans	-96.3	161.6	161	-68.5	-39	0	0	0	109.8
914	F	34.3	Very low	32.4	Very low	217 Å²	217	141.8 Å²	141.8	95%	0.952	80%	0.801	S	S	*	*			trans	-142.6	163	151.7	-125.2	-89.6	0	0	0	111.3
915	S	30.2	Very low	32	Very low	97 Å²	97	144.7 Å²	144.7	68%	0.678	81%	0.809	S	S	*	*			trans	-127.7	148.6	-162.1	-60.9	0	0	0	0	113.5
916	R	27.6	Very low	31.8	Very low	249 Å²	249	142.2 Å²	142.2	94%	0.94	81%	0.808	S	S	*	*			trans	50	105.4	159.6	-72.4	-178.2	170.3	174.3	-3.8	117.9
917	S	31.8	Very low	32.5	Very low	118 Å²	118	139.1 Å²	139.1	83%	0.825	79%	0.791	S	S	*	*			trans	-139.3	165	134.2	58.5	0	0	0	0	109.2
918	V	28.4	Very low	33.6	Very low	122 Å²	122	139.9 Å²	139.9	74%	0.739	79%	0.791	S	S	*	*			trans	-104.9	166.9	176.2	-171.6	0	0	0	0	108.3
919	D	27.3	Very low	35.5	Very low	138 Å²	138	133.7 Å²	133.7	74%	0.738	76%	0.758	S	S	*	*			trans	78.5	155.4	168	-59.6	-51.6	0	0	0	119.7
920	N	29	Very low	37.7	Very low	164 Å²	164	132.6 Å²	132.6	88%	0.877	75%	0.746	S	S	*	*			trans	72.6	122.4	174.9	-58.3	-34.9	0	0	0	117.6
921	A	29	Very low	40.2	Very low	99 Å²	99	121.8 Å²	121.8	82%	0.818	71%	0.706	S	S	*	*			trans	-97.5	147.5	173.5	0	0	0	0	0	110.2
922	E	28.6	Very low	42.1	Very low	202 Å²	202	123.1 Å²	123.1	94%	0.944	71%	0.705	S	S	*	*			trans	-142	151.4	158.3	-117	168.1	-153.9	0	0	109.1
923	A	28.8	Very low	44.2	Very low	111 Å²	111	119.6 Å²	119.6	92%	0.917	68%	0.682	S	S	*	*			trans	-87.1	146.8	-160.5	0	0	0	0	0	113.8
924	G	27.1	Very low	46.4	Very low	74 Å²	74	114.9 Å²	114.9	76%	0.763	67%	0.669	S	S	*	*			trans	-161.4	77.3	-178.6	0	0	0	0	0	113.7
925	D	32.1	Very low	48.7	Very low	171 Å²	171	108.1 Å²	108.1	91%	0.914	64%	0.641	S	S	*	*			trans	44.4	76.6	162.2	-157.7	26.7	0	0	0	117.3
926	S	34.9	Very low	51.3	Low	96 Å²	96	107.3 Å²	107.3	67%	0.671	64%	0.635	S	S	*	*			trans	-95	111.8	176.2	60.6	0	0	0	0	112.5	N928	S926-N928 PolarHBondContact O-N 2.9Å
927	D	50.3	Low	54.1	Low	68 Å²	68	96.1 Å²	96.1	36%	0.364	60%	0.596	S	S	.	*			trans	-44.1	106.3	159.2	-110.7	-22.4	0	0	0	108.8	I929 Y954 T973	D927-I929 HydrophobicContact CB-CD1 3.97Å; D927-I929 HydrophobicContact CB-CG1 4.29Å; D927-I929 PolarHBondContact O-N 3.45Å; D927-Y954 PolarHBondContact OD2-OH 2.78Å; D927-T973 WeakPolarHBondContact OD2-CB 3.28Å; D927-T973 PolarHBondContact OD2-OG1 2.96Å
928	N	61.6	Low	56.8	Low	132 Å²	132	93.6 Å²	93.6	71%	0.706	57%	0.572	S	S	*	*			trans	-82.9	54.9	-160.9	-158.1	7.2	0	0	0	113	S926 L930	S926-N928 PolarHBondContact O-N 2.9Å; N928-L930 PolarHBondContact O-N 2.84Å
929	I	74.3	Confident	59.8	Low	23 Å²	23	92 Å²	92	12%	0.118	56%	0.557	C	S	.	*			trans	-83.2	107.1	-170.3	-61.1	161.9	0	0	0	109.5	D927 A937 Y954 F966 L968 T973	D927-I929 HydrophobicContact CB-CD1 3.97Å; D927-I929 HydrophobicContact CB-CG1 4.29Å; D927-I929 PolarHBondContact O-N 3.45Å; I929-A937 HydrophobicContact CG2-CB 3.97Å; I929-A937 WeakPolarHBondContact O-CB 3.43Å; I929-A937 PolarHBondContact O-N 3.42Å; I929-Y954 HydrophobicContact CD1-CD1 3.83Å; I929-Y954 HydrophobicContact CD1-CD2 3.63Å; I929-Y954 HydrophobicContact CD1-CE1 3.59Å; I929-Y954 HydrophobicContact CD1-CE2 3.38Å; I929-Y954 HydrophobicContact CD1-CG 3.86Å; I929-F966 HydrophobicContact CG2-CE1 3.73Å; I929-F966 HydrophobicContact CG2-CZ 3.42Å; I929-F966 VanDerWaalsContact CG2-CZ 3.42Å; I929-L968 HydrophobicContact CD1-CD2 4.19Å; I929-L968 HydrophobicContact CG2-CD2 4.27Å; I929-T973 HydrophobicContact CD1-CG2 3.81Å; I929-T973 HydrophobicContact CG1-CG2 4.29Å
930	L	82.5	Confident	62.8	Low	95 Å²	95	88.4 Å²	88.4	50%	0.497	54%	0.537	S	S	.	.	B	Isolated β-bridge	trans	-86.4	142.9	172.5	-58.6	178.4	0	0	0	111.1	N928	N928-L930 PolarHBondContact O-N 2.84Å
931	C	85.4	Confident	65.7	Low	5 Å²	5	83.9 Å²	83.9	3%	0.034	52%	0.516	C	S	.	.			trans	-84.6	170.3	168.2	75.8	0	0	0	0	111.5	C933 G934 H935 C956 F966	C931-C933 PolarHBondContact O-N 3.34Å; C931-C933 PolarHBondContact SG-N 3.24Å; C931-C933 VanDerWaalsContact SG-N 3.42Å; C931-G934 PolarHBondContact O-N 2.82Å; C931-H935 PolarHBondContact N-O 3.48Å; C931-H935 PolarHBondContact SG-O 3.41Å; C931-C956 HydrophobicContact CB-CB 3.86Å; C931-F966 HydrophobicContact CB-CB 3.64Å; C931-F966 HydrophobicContact CB-CD1 3.83Å; C931-F966 HydrophobicContact CB-CD2 4.38Å; C931-F966 HydrophobicContact CB-CG 3.68Å
932	N	74.7	Confident	68.5	Low	131 Å²	131	80.6 Å²	80.6	70%	0.701	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	3.7	177.9	-53	18.7	0	0	0	114.7	C964 F966	N932-C964 HydrophobicContact CB-CB 4.01Å; N932-C964 PolarHBondContact N-SG 3.4Å; N932-F966 WeakPolarHBondContact OD1-CD2 3.46Å
933	C	79.4	Confident	71.1	Confident	48 Å²	48	80 Å²	80	32%	0.324	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	2.4	168.6	-63.5	0	0	0	0	113.2	C931 H935 C964	C931-C933 PolarHBondContact O-N 3.34Å; C931-C933 PolarHBondContact SG-N 3.24Å; C931-C933 VanDerWaalsContact SG-N 3.42Å; C933-H935 VanDerWaalsContact C-N 3.29Å; C933-H935 PolarHBondContact O-N 2.85Å; C933-C964 WeakPolarHBondContact SG-CB 3.22Å; C933-C964 PolarHBondContact SG-SG 2.66Å
934	G	78.3	Confident	73.5	Confident	52 Å²	52	83 Å²	83	54%	0.536	47%	0.472	S	S	.	.	S	Bend	trans	75	12.3	-173.8	0	0	0	0	0	114.6	C931	C931-G934 PolarHBondContact O-N 2.82Å
935	H	81	Confident	75.2	Confident	75 Å²	75	84.6 Å²	84.6	35%	0.347	47%	0.469	S	S	.	.	S	Bend	trans	-100.3	146	176.5	-53.9	-36.4	0	0	0	111.1	C931 C933 A937 P957	C931-H935 PolarHBondContact N-O 3.48Å; C931-H935 PolarHBondContact SG-O 3.41Å; C933-H935 VanDerWaalsContact C-N 3.29Å; C933-H935 PolarHBondContact O-N 2.85Å; H935-A937 PolarHBondContact O-N 2.85Å; H935-P957 HydrophobicContact CB-CG 4.15Å
936	S	85.8	Confident	77.2	Confident	81 Å²	81	78.4 Å²	78.4	57%	0.566	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-55.7	128.7	172.4	-46.4	0	0	0	0	111	P957	S936-P957 WeakPolarHBondContact O-CD 3.49Å
937	A	85.4	Confident	78.5	Confident	14 Å²	14	78.9 Å²	78.9	12%	0.116	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-79.1	134	-176.4	0	0	0	0	0	111.4	I929 H935 R955 F966	I929-A937 HydrophobicContact CG2-CB 3.97Å; I929-A937 WeakPolarHBondContact O-CB 3.43Å; I929-A937 PolarHBondContact O-N 3.42Å; H935-A937 PolarHBondContact O-N 2.85Å; A937-R955 CarbonylContact C-O 3Å; A937-R955 WeakPolarHBondContact CA-O 3.28Å; A937-F966 HydrophobicContact CB-CD1 3.86Å; A937-F966 HydrophobicContact CB-CE1 3.52Å
938	I	89.8	Confident	79.8	Confident	64 Å²	64	78.1 Å²	78.1	33%	0.328	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.5	-178.9	51.9	165.2	0	0	0	111.4	L940 Y954 R955 P957	I938-L940 HydrophobicContact CD1-CD1 4.28Å; I938-Y954 CarbonylContact O-C 3.57Å; I938-Y954 WeakPolarHBondContact O-CA 3.34Å; I938-R955 HydrophobicContact CD1-CG 4.19Å; I938-R955 HydrophobicContact CG1-CG 3.88Å; I938-R955 WeakPolarHBondContact CG1-O 3.25Å; I938-R955 PolarHBondContact N-O 3.29Å; I938-R955 PolarHBondContact O-N 2.86Å; I938-P957 HydrophobicContact CD1-CB 4.42Å; I938-P957 HydrophobicContact CG1-CB 4.35Å; I938-P957 HydrophobicContact CG2-CB 4.02Å
939	Q	91.6	Very high	80.9	Confident	88 Å²	88	77.7 Å²	77.7	41%	0.411	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.7	173.8	-172	-164.7	-112.8	0	0	110.6	L952 F953 Y954 K970	Q939-L952 HydrophobicContact CG-CD2 4.17Å; Q939-F953 CarbonylContact C-O 3.5Å; Q939-F953 WeakPolarHBondContact CA-O 3.46Å; Q939-Y954 HydrophobicContact CB-CD1 4.05Å; Q939-Y954 HydrophobicContact CB-CE1 3.92Å; Q939-Y954 HydrophobicContact CG-CE1 4.24Å; Q939-K970 VanDerWaalsContact OE1-CD 3.29Å
940	L	88.9	Confident	81.4	Confident	63 Å²	63	79 Å²	79	33%	0.33	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.9	179.7	-68.4	178.5	0	0	0	111.6	I938 L952 F953 R955	I938-L940 HydrophobicContact CD1-CD1 4.28Å; L940-L952 CarbonylContact O-C 3.53Å; L940-L952 WeakPolarHBondContact O-CA 3.32Å; L940-F953 HydrophobicContact CB-CD1 4.25Å; L940-F953 HydrophobicContact CB-CE1 3.68Å; L940-F953 HydrophobicContact CB-CE2 4.05Å; L940-F953 HydrophobicContact CB-CZ 3.57Å; L940-F953 HydrophobicContact CD1-CE2 4.21Å; L940-F953 HydrophobicContact CD1-CZ 4Å; L940-F953 HydrophobicContact CG-CZ 4.43Å; L940-F953 PolarHBondContact N-O 2.85Å; L940-F953 VanDerWaalsContact O-CD1 3.24Å; L940-F953 WeakPolarHBondContact O-CD1 3.47Å; L940-F953 PolarHBondContact O-N 2.76Å; L940-R955 HydrophobicContact CD1-CG 3.93Å; L940-R955 VanDerWaalsContact CD1-NE 3.31Å
941	T	89.7	Confident	81.7	Confident	70 Å²	70	80.2 Å²	80.2	43%	0.429	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.1	176.1	-43.3	0	0	0	0	110.9	K943 G950 R951 L952	T941-K943 PolarHBondContact O-N 2.95Å; T941-K943 VanDerWaalsContact O-N 3.17Å; T941-G950 WeakPolarHBondContact CG2-O 3.41Å; T941-R951 WeakPolarHBondContact CA-O 3.32Å; T941-L952 HydrophobicContact CG2-CD2 4.47Å; T941-L952 VanDerWaalsContact OG1-CD2 3.31Å; T941-L952 WeakPolarHBondContact OG1-CD2 3.39Å
942	V	88.8	Confident	81.9	Confident	30 Å²	30	82.8 Å²	82.8	18%	0.182	47%	0.467	C	S	.	.			trans	-68.2	111.3	174.6	179	0	0	0	0	110.6	N948 G950 R951 F953 W969	V942-N948 VanDerWaalsContact CB-O 3.25Å; V942-N948 WeakPolarHBondContact CB-O 3.48Å; V942-G950 PolarHBondContact O-N 2.87Å; V942-R951 PolarHBondContact N-O 2.94Å; V942-F953 HydrophobicContact CG2-CD1 3.79Å; V942-F953 HydrophobicContact CG2-CE1 3.94Å; V942-W969 HydrophobicContact CG2-CH2 3.86Å; V942-W969 HydrophobicContact CG2-CZ3 3.71Å
943	K	83.1	Confident	82.7	Confident	190 Å²	190	78 Å²	78	83%	0.826	44%	0.44	S	S	*	.			trans	-90.2	-19.3	176.6	-62.3	-171.8	179.6	-175.8	0	114.6	T941	T941-K943 PolarHBondContact O-N 2.95Å; T941-K943 VanDerWaalsContact O-N 3.17Å
944	K	78.3	Confident	83.4	Confident	172 Å²	172	76.4 Å²	76.4	75%	0.748	43%	0.427	S	S	*	.	S	Bend	trans	-72.9	135.2	-177.8	-170.1	170.1	-176.2	167.7	0	110.6	G946	K944-G946 PolarHBondContact O-N 2.8Å
945	P	64.1	Low	84	Confident	109 Å²	109	78.7 Å²	78.7	71%	0.708	42%	0.42	S	S	*	.	S	Bend	trans	-55.8	135.7	174.4	-27.1	35.6	0	0	0	112.9
946	G	74	Confident	84.4	Confident	41 Å²	41	75.3 Å²	75.3	42%	0.423	40%	0.404	S	S	.	.	S	Bend	trans	149	-179.4	-179.6	0	0	0	0	0	113.6	K944 N948 Q949	K944-G946 PolarHBondContact O-N 2.8Å; G946-N948 PolarHBondContact O-N 3.27Å; G946-Q949 WeakPolarHBondContact O-CB 3.42Å; G946-Q949 PolarHBondContact O-N 2.79Å
947	P	60.8	Low	84.3	Confident	106 Å²	106	73.2 Å²	73.2	69%	0.688	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	1.6	-171.7	30.5	-37.9	0	0	0	115.5
948	N	78.8	Confident	83.6	Confident	52 Å²	52	74 Å²	74	28%	0.278	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	5.5	172.8	-67.2	-51.6	0	0	0	112.6	V942 G946 G950 R951 W969	V942-N948 VanDerWaalsContact CB-O 3.25Å; V942-N948 WeakPolarHBondContact CB-O 3.48Å; G946-N948 PolarHBondContact O-N 3.27Å; N948-G950 PolarHBondContact O-N 3.31Å; N948-R951 WeakPolarHBondContact O-CB 3.48Å; N948-R951 PolarHBondContact O-N 2.94Å; N948-R951 VanDerWaalsContact OD1-CD 3.3Å; N948-R951 WeakPolarHBondContact OD1-CD 3.47Å; N948-R951 PolarHBondContact OD1-NH1 2.75Å; N948-W969 HydrophobicContact CB-CH2 3.7Å; N948-W969 HydrophobicContact CB-CZ2 4.39Å; N948-W969 HydrophobicContact CB-CZ3 4.32Å
949	Q	84.7	Confident	82.3	Confident	122 Å²	122	76 Å²	76	57%	0.57	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	132.5	177.3	-173.8	178	-7.4	0	0	109.9	G946 R951	G946-Q949 WeakPolarHBondContact O-CB 3.42Å; G946-Q949 PolarHBondContact O-N 2.79Å; Q949-R951 VanDerWaalsContact C-N 3.31Å; Q949-R951 PolarHBondContact O-N 2.81Å
950	G	83.9	Confident	80.5	Confident	52 Å²	52	77 Å²	77	54%	0.536	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-11.6	-174.7	0	0	0	0	0	115.9	T941 V942 N948	T941-G950 WeakPolarHBondContact CG2-O 3.41Å; V942-G950 PolarHBondContact O-N 2.87Å; N948-G950 PolarHBondContact O-N 3.31Å
951	R	88.4	Confident	78.9	Confident	119 Å²	119	77.2 Å²	77.2	45%	0.449	45%	0.45	S	S	.	.			trans	-67.3	144.7	171.9	-87.6	179.8	146.4	157.9	-4.3	111.6	T941 V942 N948 Q949 W969	T941-R951 WeakPolarHBondContact CA-O 3.32Å; V942-R951 PolarHBondContact N-O 2.94Å; N948-R951 WeakPolarHBondContact O-CB 3.48Å; N948-R951 PolarHBondContact O-N 2.94Å; N948-R951 VanDerWaalsContact OD1-CD 3.3Å; N948-R951 WeakPolarHBondContact OD1-CD 3.47Å; N948-R951 PolarHBondContact OD1-NH1 2.75Å; Q949-R951 VanDerWaalsContact C-N 3.31Å; Q949-R951 PolarHBondContact O-N 2.81Å; R951-W969 HydrophobicContact CB-CE3 3.97Å; R951-W969 HydrophobicContact CB-CZ3 3.6Å; R951-W969 HydrophobicContact CG-CZ3 4.47Å
952	L	89.9	Confident	77.4	Confident	59 Å²	59	79.8 Å²	79.8	31%	0.309	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.5	172.1	-68	167.7	0	0	0	111	Q939 L940 T941 K970	Q939-L952 HydrophobicContact CG-CD2 4.17Å; L940-L952 CarbonylContact O-C 3.53Å; L940-L952 WeakPolarHBondContact O-CA 3.32Å; T941-L952 HydrophobicContact CG2-CD2 4.47Å; T941-L952 VanDerWaalsContact OG1-CD2 3.31Å; T941-L952 WeakPolarHBondContact OG1-CD2 3.39Å; L952-K970 HydrophobicContact CB-CB 3.72Å; L952-K970 HydrophobicContact CB-CD 4.05Å; L952-K970 HydrophobicContact CB-CG 4.47Å; L952-K970 HydrophobicContact CD1-CD 3.85Å; L952-K970 WeakPolarHBondContact O-CB 3.44Å; L952-K970 PolarHBondContact O-N 2.86Å
953	F	92.7	Very high	76.7	Confident	32 Å²	32	80.8 Å²	80.8	14%	0.14	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.7	176.1	70.4	-83.3	0	0	0	110.7	Q939 L940 V942 R955 F967 L968 W969	Q939-F953 CarbonylContact C-O 3.5Å; Q939-F953 WeakPolarHBondContact CA-O 3.46Å; L940-F953 HydrophobicContact CB-CD1 4.25Å; L940-F953 HydrophobicContact CB-CE1 3.68Å; L940-F953 HydrophobicContact CB-CE2 4.05Å; L940-F953 HydrophobicContact CB-CZ 3.57Å; L940-F953 HydrophobicContact CD1-CE2 4.21Å; L940-F953 HydrophobicContact CD1-CZ 4Å; L940-F953 HydrophobicContact CG-CZ 4.43Å; L940-F953 PolarHBondContact N-O 2.85Å; L940-F953 VanDerWaalsContact O-CD1 3.24Å; L940-F953 WeakPolarHBondContact O-CD1 3.47Å; L940-F953 PolarHBondContact O-N 2.76Å; V942-F953 HydrophobicContact CG2-CD1 3.79Å; V942-F953 HydrophobicContact CG2-CE1 3.94Å; F953-R955 HydrophobicContact CE2-CB 4.26Å; F953-R955 HydrophobicContact CE2-CG 4.35Å; F953-F967 HydrophobicContact CB-CE2 3.79Å; F953-F967 HydrophobicContact CB-CZ 3.86Å; F953-F967 AromaticContact CD2-CD2 3.68Å; F953-F967 HydrophobicContact CD2-CD2 3.68Å; F953-F967 AromaticContact CD2-CE2 3.31Å; F953-F967 HydrophobicContact CD2-CE2 3.31Å; F953-F967 HydrophobicContact CD2-CZ 4.25Å; F953-F967 HydrophobicContact CE2-CD2 4.23Å; F953-F967 AromaticContact CE2-CE2 3.96Å; F953-F967 HydrophobicContact CE2-CE2 3.96Å; F953-F967 HydrophobicContact CG-CD2 4.4Å; F953-F967 AromaticContact CG-CE2 3.64Å; F953-F967 HydrophobicContact CG-CE2 3.64Å; F953-F967 HydrophobicContact CG-CZ 4.16Å; F953-L968 CarbonylContact C-O 3.54Å; F953-L968 WeakPolarHBondContact CA-O 3.44Å; F953-L968 WeakPolarHBondContact CB-O 3.14Å; F953-W969 HydrophobicContact CB-CE3 3.9Å; F953-W969 HydrophobicContact CB-CZ3 4.14Å
954	Y	93	Very high	76.7	Confident	14 Å²	14	73 Å²	73	6%	0.055	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145	173	-58.7	-92.3	0	0	0	109.9	D927 I929 I938 Q939 F967 L968 K970	D927-Y954 PolarHBondContact OD2-OH 2.78Å; I929-Y954 HydrophobicContact CD1-CD1 3.83Å; I929-Y954 HydrophobicContact CD1-CD2 3.63Å; I929-Y954 HydrophobicContact CD1-CE1 3.59Å; I929-Y954 HydrophobicContact CD1-CE2 3.38Å; I929-Y954 HydrophobicContact CD1-CG 3.86Å; I938-Y954 CarbonylContact O-C 3.57Å; I938-Y954 WeakPolarHBondContact O-CA 3.34Å; Q939-Y954 HydrophobicContact CB-CD1 4.05Å; Q939-Y954 HydrophobicContact CB-CE1 3.92Å; Q939-Y954 HydrophobicContact CG-CE1 4.24Å; Y954-F967 WeakPolarHBondContact O-CA 3.38Å; Y954-L968 HydrophobicContact CD2-CB 4.44Å; Y954-L968 HydrophobicContact CD2-CD2 4.45Å; Y954-L968 PolarHBondContact N-O 2.83Å; Y954-L968 PolarHBondContact O-N 3.35Å; Y954-L968 VanDerWaalsContact O-N 3.11Å; Y954-K970 HydrophobicContact CE2-CB 3.89Å; Y954-K970 HydrophobicContact CE2-CD 4.47Å; Y954-K970 HydrophobicContact CE2-CG 3.95Å; Y954-K970 WeakPolarHBondContact OH-CE 3.31Å
955	R	90.8	Very high	76.9	Confident	100 Å²	100	71.5 Å²	71.5	38%	0.377	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	165.2	168.8	72.6	165.6	-174	96	-5.5	113	A937 I938 L940 F953 F966	A937-R955 CarbonylContact C-O 3Å; A937-R955 WeakPolarHBondContact CA-O 3.28Å; I938-R955 HydrophobicContact CD1-CG 4.19Å; I938-R955 HydrophobicContact CG1-CG 3.88Å; I938-R955 WeakPolarHBondContact CG1-O 3.25Å; I938-R955 PolarHBondContact N-O 3.29Å; I938-R955 PolarHBondContact O-N 2.86Å; L940-R955 HydrophobicContact CD1-CG 3.93Å; L940-R955 VanDerWaalsContact CD1-NE 3.31Å; F953-R955 HydrophobicContact CE2-CB 4.26Å; F953-R955 HydrophobicContact CE2-CG 4.35Å; R955-F966 VanDerWaalsContact CA-O 3.29Å; R955-F966 WeakPolarHBondContact CA-O 3.35Å
956	C	89.8	Confident	77.9	Confident	3 Å²	3	68 Å²	68	2%	0.02	41%	0.413	C	S	.	.			trans	-59	133.7	168.6	-178.5	0	0	0	0	111.2	C931 G958 C964 F966	C931-C956 HydrophobicContact CB-CB 3.86Å; C956-G958 PolarHBondContact SG-N 2.84Å; C956-C964 WeakPolarHBondContact CB-O 3.44Å; C956-C964 VanDerWaalsContact CB-SG 3.57Å; C956-C964 VanDerWaalsContact SG-SG 3.63Å; C956-F966 HydrophobicContact CB-CB 4.37Å; C956-F966 PolarHBondContact N-O 3.29Å
957	P	84.5	Confident	78.6	Confident	37 Å²	37	71.1 Å²	71.1	24%	0.24	41%	0.414	C	S	.	.			trans	-63.4	-37.3	175.7	22.3	-31.6	0	0	0	113.1	H935 S936 I938	H935-P957 HydrophobicContact CB-CG 4.15Å; S936-P957 WeakPolarHBondContact O-CD 3.49Å; I938-P957 HydrophobicContact CD1-CB 4.42Å; I938-P957 HydrophobicContact CG1-CB 4.35Å; I938-P957 HydrophobicContact CG2-CB 4.02Å
958	G	70.6	Confident	79.8	Confident	30 Å²	30	68.1 Å²	68.1	31%	0.309	39%	0.393	S	S	.	.			trans	82	56	178.9	0	0	0	0	0	113.8	C956	C956-G958 PolarHBondContact SG-N 2.84Å
959	L	62.3	Low	80.2	Confident	107 Å²	107	68.5 Å²	68.5	56%	0.56	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-77.2	154.4	174.9	-66.6	168.8	0	0	0	111.2	G961 N962	L959-G961 PolarHBondContact O-N 2.68Å; L959-N962 PolarHBondContact O-N 3.4Å; L959-N962 VanDerWaalsContact O-N 3.11Å
960	A	54.2	Low	79.8	Confident	110 Å²	110	66.4 Å²	66.4	91%	0.909	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	50.1	28.8	174.1	0	0	0	0	0	116.1	N962	A960-N962 PolarHBondContact O-N 2.8Å
961	G	54.9	Low	78.8	Confident	67 Å²	67	67.9 Å²	67.9	69%	0.691	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	79.7	-13.1	-179.9	0	0	0	0	0	115.5	L959 S963	L959-G961 PolarHBondContact O-N 2.68Å; G961-S963 PolarHBondContact O-N 3.05Å
962	N	58.2	Low	76.7	Confident	124 Å²	124	68 Å²	68	66%	0.663	39%	0.387	S	S	*	.			trans	-94	90.1	177.6	-89.7	-19.1	0	0	0	111.2	L959 A960	L959-N962 PolarHBondContact O-N 3.4Å; L959-N962 VanDerWaalsContact O-N 3.11Å; A960-N962 PolarHBondContact O-N 2.8Å
963	S	74.8	Confident	74.1	Confident	51 Å²	51	67.3 Å²	67.3	36%	0.357	39%	0.385	S	S	.	.			trans	-94.8	128.4	165.2	57.1	0	0	0	0	111.4	G961 R1177	G961-S963 PolarHBondContact O-N 3.05Å; S963-R1177 PolarHBondContact O-NH1 3.38Å; S963-R1177 PolarHBondContact O-NH2 3Å
964	C	82.6	Confident	71.1	Confident	27 Å²	27	71.8 Å²	71.8	18%	0.182	42%	0.415	C	S	.	.			trans	-96	161.3	167.9	66.5	0	0	0	0	111.6	N932 C933 C956 F966	N932-C964 HydrophobicContact CB-CB 4.01Å; N932-C964 PolarHBondContact N-SG 3.4Å; C933-C964 WeakPolarHBondContact SG-CB 3.22Å; C933-C964 PolarHBondContact SG-SG 2.66Å; C956-C964 WeakPolarHBondContact CB-O 3.44Å; C956-C964 VanDerWaalsContact CB-SG 3.57Å; C956-C964 VanDerWaalsContact SG-SG 3.63Å; C964-F966 PolarHBondContact O-N 2.83Å
965	D	81.7	Confident	68.1	Low	140 Å²	140	75.9 Å²	75.9	75%	0.749	44%	0.444	S	S	*	.			trans	-79	16	-168.7	-39.4	-29.6	0	0	0	113.3	F967 R1177	D965-F967 PolarHBondContact O-N 2.8Å; D965-R1177 IonicContact OD1-NH2 3.32Å; D965-R1177 PolarHBondContact OD1-NH2 2.94Å
966	F	85.7	Confident	65	Low	36 Å²	36	79.1 Å²	79.1	16%	0.158	47%	0.467	C	S	.	.			trans	-61.5	128	-174.6	-179.7	-94.4	0	0	0	112.1	I929 C931 N932 A937 R955 C956 C964 L968	I929-F966 HydrophobicContact CG2-CE1 3.73Å; I929-F966 HydrophobicContact CG2-CZ 3.42Å; I929-F966 VanDerWaalsContact CG2-CZ 3.42Å; C931-F966 HydrophobicContact CB-CB 3.64Å; C931-F966 HydrophobicContact CB-CD1 3.83Å; C931-F966 HydrophobicContact CB-CD2 4.38Å; C931-F966 HydrophobicContact CB-CG 3.68Å; N932-F966 WeakPolarHBondContact OD1-CD2 3.46Å; A937-F966 HydrophobicContact CB-CD1 3.86Å; A937-F966 HydrophobicContact CB-CE1 3.52Å; R955-F966 VanDerWaalsContact CA-O 3.29Å; R955-F966 WeakPolarHBondContact CA-O 3.35Å; C956-F966 HydrophobicContact CB-CB 4.37Å; C956-F966 PolarHBondContact N-O 3.29Å; C964-F966 PolarHBondContact O-N 2.83Å; F966-L968 HydrophobicContact CE1-CB 4.26Å; F966-L968 HydrophobicContact CZ-CB 4Å
967	F	89.1	Confident	62.1	Low	105 Å²	105	84.5 Å²	84.5	46%	0.461	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.6	178.1	178.2	-84.6	0	0	0	110.3	F953 Y954 D965 W969	F953-F967 HydrophobicContact CB-CE2 3.79Å; F953-F967 HydrophobicContact CB-CZ 3.86Å; F953-F967 AromaticContact CD2-CD2 3.68Å; F953-F967 HydrophobicContact CD2-CD2 3.68Å; F953-F967 AromaticContact CD2-CE2 3.31Å; F953-F967 HydrophobicContact CD2-CE2 3.31Å; F953-F967 HydrophobicContact CD2-CZ 4.25Å; F953-F967 HydrophobicContact CE2-CD2 4.23Å; F953-F967 AromaticContact CE2-CE2 3.96Å; F953-F967 HydrophobicContact CE2-CE2 3.96Å; F953-F967 HydrophobicContact CG-CD2 4.4Å; F953-F967 AromaticContact CG-CE2 3.64Å; F953-F967 HydrophobicContact CG-CE2 3.64Å; F953-F967 HydrophobicContact CG-CZ 4.16Å; Y954-F967 WeakPolarHBondContact O-CA 3.38Å; D965-F967 PolarHBondContact O-N 2.8Å; F967-W969 AromaticContact CE1-CD1 3.95Å; F967-W969 HydrophobicContact CE1-CD2 4.04Å; F967-W969 AromaticContact CE1-CE2 3.71Å; F967-W969 HydrophobicContact CE1-CG 4.2Å; F967-W969 HydrophobicContact CE1-CZ2 4.15Å; F967-W969 AromaticContact CE1-NE1 3.65Å; F967-W969 AromaticContact CZ-CD2 3.94Å; F967-W969 HydrophobicContact CZ-CD2 3.94Å; F967-W969 AromaticContact CZ-CE2 3.66Å; F967-W969 HydrophobicContact CZ-CE3 4.22Å; F967-W969 AromaticContact CZ-CH2 4Å; F967-W969 HydrophobicContact CZ-CH2 4Å; F967-W969 AromaticContact CZ-CZ2 3.71Å; F967-W969 HydrophobicContact CZ-CZ2 3.71Å; F967-W969 HydrophobicContact CZ-CZ3 4.25Å
968	L	85.5	Confident	59.4	Low	44 Å²	44	90.9 Å²	90.9	23%	0.23	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.8	175.6	-172	71.5	0	0	0	110.4	I929 F953 Y954 F966 Q972	I929-L968 HydrophobicContact CD1-CD2 4.19Å; I929-L968 HydrophobicContact CG2-CD2 4.27Å; F953-L968 CarbonylContact C-O 3.54Å; F953-L968 WeakPolarHBondContact CA-O 3.44Å; F953-L968 WeakPolarHBondContact CB-O 3.14Å; Y954-L968 HydrophobicContact CD2-CB 4.44Å; Y954-L968 HydrophobicContact CD2-CD2 4.45Å; Y954-L968 PolarHBondContact N-O 2.83Å; Y954-L968 PolarHBondContact O-N 3.35Å; Y954-L968 VanDerWaalsContact O-N 3.11Å; F966-L968 HydrophobicContact CE1-CB 4.26Å; F966-L968 HydrophobicContact CZ-CB 4Å; L968-Q972 HydrophobicContact CD1-CB 4.18Å
969	W	86.1	Confident	57.3	Low	59 Å²	59	93.7 Å²	93.7	22%	0.223	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.3	140.2	171.5	-70.9	110.5	0	0	0	110.5	V942 N948 R951 F953 F967 S971 Q972	V942-W969 HydrophobicContact CG2-CH2 3.86Å; V942-W969 HydrophobicContact CG2-CZ3 3.71Å; N948-W969 HydrophobicContact CB-CH2 3.7Å; N948-W969 HydrophobicContact CB-CZ2 4.39Å; N948-W969 HydrophobicContact CB-CZ3 4.32Å; R951-W969 HydrophobicContact CB-CE3 3.97Å; R951-W969 HydrophobicContact CB-CZ3 3.6Å; R951-W969 HydrophobicContact CG-CZ3 4.47Å; F953-W969 HydrophobicContact CB-CE3 3.9Å; F953-W969 HydrophobicContact CB-CZ3 4.14Å; F967-W969 AromaticContact CE1-CD1 3.95Å; F967-W969 HydrophobicContact CE1-CD2 4.04Å; F967-W969 AromaticContact CE1-CE2 3.71Å; F967-W969 HydrophobicContact CE1-CG 4.2Å; F967-W969 HydrophobicContact CE1-CZ2 4.15Å; F967-W969 AromaticContact CE1-NE1 3.65Å; F967-W969 AromaticContact CZ-CD2 3.94Å; F967-W969 HydrophobicContact CZ-CD2 3.94Å; F967-W969 AromaticContact CZ-CE2 3.66Å; F967-W969 HydrophobicContact CZ-CE3 4.22Å; F967-W969 AromaticContact CZ-CH2 4Å; F967-W969 HydrophobicContact CZ-CH2 4Å; F967-W969 AromaticContact CZ-CZ2 3.71Å; F967-W969 HydrophobicContact CZ-CZ2 3.71Å; F967-W969 HydrophobicContact CZ-CZ3 4.25Å; W969-S971 PolarHBondContact O-N 2.65Å; W969-Q972 HydrophobicContact CB-CG 4.33Å; W969-Q972 WeakPolarHBondContact O-CB 3.47Å; W969-Q972 PolarHBondContact O-N 3.32Å
970	K	78.2	Confident	55.6	Low	78 Å²	78	97.6 Å²	97.6	34%	0.339	57%	0.566	S	S	.	*	S	Bend	trans	-62.5	-26.5	178.5	-173.2	166.4	-169.3	171.7	0	113.5	Q939 L952 Y954 Q972 T973	Q939-K970 VanDerWaalsContact OE1-CD 3.29Å; L952-K970 HydrophobicContact CB-CB 3.72Å; L952-K970 HydrophobicContact CB-CD 4.05Å; L952-K970 HydrophobicContact CB-CG 4.47Å; L952-K970 HydrophobicContact CD1-CD 3.85Å; L952-K970 WeakPolarHBondContact O-CB 3.44Å; L952-K970 PolarHBondContact O-N 2.86Å; Y954-K970 HydrophobicContact CE2-CB 3.89Å; Y954-K970 HydrophobicContact CE2-CD 4.47Å; Y954-K970 HydrophobicContact CE2-CG 3.95Å; Y954-K970 WeakPolarHBondContact OH-CE 3.31Å; K970-Q972 PolarHBondContact O-N 3.42Å; K970-T973 PolarHBondContact O-N 3.46Å
971	S	61	Low	54.6	Low	84 Å²	84	98.2 Å²	98.2	59%	0.587	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	39.2	171.2	65	0	0	0	0	113.2	W969	W969-S971 PolarHBondContact O-N 2.65Å
972	Q	45	Very low	53.5	Low	122 Å²	122	100.5 Å²	100.5	57%	0.57	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	-0.1	175.9	-64.1	-171.4	-49.3	0	0	113.5	L968 W969 K970	L968-Q972 HydrophobicContact CD1-CB 4.18Å; W969-Q972 HydrophobicContact CB-CG 4.33Å; W969-Q972 WeakPolarHBondContact O-CB 3.47Å; W969-Q972 PolarHBondContact O-N 3.32Å; K970-Q972 PolarHBondContact O-N 3.42Å
973	T	35.1	Very low	52.6	Low	44 Å²	44	99.9 Å²	99.9	27%	0.27	57%	0.572	S	S	.	*			trans	-86.1	120.3	163.5	38.8	0	0	0	0	111	D927 I929 K970	D927-T973 WeakPolarHBondContact OD2-CB 3.28Å; D927-T973 PolarHBondContact OD2-OG1 2.96Å; I929-T973 HydrophobicContact CD1-CG2 3.81Å; I929-T973 HydrophobicContact CG1-CG2 4.29Å; K970-T973 PolarHBondContact O-N 3.46Å
974	T	30.5	Very low	50.5	Low	125 Å²	125	105.6 Å²	105.6	77%	0.767	60%	0.597	S	S	*	*			trans	-119.7	112	161.5	45.9	0	0	0	0	107.5	I976	T974-I976 PolarHBondContact O-N 2.85Å
975	P	29.2	Very low	48.1	Very low	101 Å²	101	115 Å²	115	66%	0.656	63%	0.63	S	S	*	*			trans	-59.9	132.4	171.5	-22.3	33.7	0	0	0	110.2	T977	P975-T977 PolarHBondContact O-N 2.91Å
976	I	26.2	Very low	45.8	Very low	167 Å²	167	113.4 Å²	113.4	86%	0.856	63%	0.63	S	S	*	*			trans	-81.4	102.4	168.4	-60.5	175.7	0	0	0	106.6	T974	T974-I976 PolarHBondContact O-N 2.85Å
977	T	29.1	Very low	43.4	Very low	116 Å²	116	116 Å²	116	71%	0.712	65%	0.653	S	S	*	*			trans	-132.3	121.6	177.1	-49.2	0	0	0	0	109.9	P975 A979	P975-T977 PolarHBondContact O-N 2.91Å; T977-A979 PolarHBondContact O-N 2.86Å
978	I	26.5	Very low	40.8	Very low	171 Å²	171	117 Å²	117	88%	0.877	67%	0.668	S	S	*	*			trans	-87.6	105.5	-178	-58.7	169.5	0	0	0	108.1
979	A	28.4	Very low	38.2	Very low	89 Å²	89	123.9 Å²	123.9	74%	0.736	70%	0.699	S	S	*	*			trans	-147.5	153.7	170.9	0	0	0	0	0	110.8	T977	T977-A979 PolarHBondContact O-N 2.86Å
980	Q	26.6	Very low	35.6	Very low	190 Å²	190	128.3 Å²	128.3	89%	0.888	73%	0.732	S	S	*	*			trans	-95.2	172.7	-175.6	-65.1	163.7	-24.1	0	0	111.7
981	S	31.8	Very low	33.4	Very low	123 Å²	123	129.2 Å²	129.2	86%	0.86	75%	0.748	S	S	*	*			trans	94	145.7	170.5	79.8	0	0	0	0	118.2
982	S	32.2	Very low	32	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	75%	0.753	S	S	*	*			trans	-135.5	-175.8	-174.7	-12.4	0	0	0	0	107.4
983	P	38.4	Very low	31.4	Very low	112 Å²	112	135 Å²	135	73%	0.727	76%	0.761	S	S	*	*			cis	-127.6	-168.4	-27.5	38.7	-23.4	0	0	0	110.3
984	L	32.5	Very low	31.2	Very low	171 Å²	171	139.5 Å²	139.5	90%	0.895	78%	0.783	S	S	*	*			trans	-159.6	151.5	134.7	-110.7	171.1	0	0	0	110.9
985	Y	32	Very low	31.3	Very low	223 Å²	223	139.3 Å²	139.3	88%	0.875	78%	0.782	S	S	*	*			trans	-143.4	147.1	-167	-130.6	-83.7	0	0	0	110.4
986	S	33.6	Very low	31.5	Very low	107 Å²	107	142.1 Å²	142.1	75%	0.748	79%	0.79	S	S	*	*			trans	-165.7	139.4	160.7	-174.5	0	0	0	0	111.1
987	S	34	Very low	31.7	Very low	90 Å²	90	141 Å²	141	63%	0.629	79%	0.785	S	S	*	*			cis	-167.1	-178.6	-28.2	49	0	0	0	0	108.9
988	T	35.2	Very low	32	Very low	128 Å²	128	141.2 Å²	141.2	79%	0.785	79%	0.789	S	S	*	*			trans	73.5	98.1	-174.6	70.7	0	0	0	0	114.3
989	Q	30	Very low	32.1	Very low	187 Å²	187	138.7 Å²	138.7	87%	0.874	79%	0.785	S	S	*	*			cis	76	96.9	45.4	-62.7	-165.1	-15.8	0	0	116.7
990	V	33.2	Very low	32.2	Very low	153 Å²	153	139.3 Å²	139.3	93%	0.927	78%	0.784	S	S	*	*				-132.4	157.3	127.1	-176.8	0	0	0	0	106.1
991	S	30.5	Very low	32.4	Very low	97 Å²	97	141.9 Å²	141.9	68%	0.678	79%	0.786	S	S	*	*			trans	-150.8	171.4	-158	-161.8	0	0	0	0	115.9
992	L	32.4	Very low	32.3	Very low	129 Å²	129	142.9 Å²	142.9	68%	0.675	78%	0.781	S	S	*	*			trans	86	140.1	164.7	-44.7	166.5	0	0	0	116.7
993	R	32.4	Very low	32.4	Very low	197 Å²	197	145.4 Å²	145.4	74%	0.743	78%	0.78	S	S	*	*			cis	-167.1	139.9	-11.3	-118.1	-179.5	-174.9	150	4.3	112.5
994	N	31.6	Very low	32	Very low	139 Å²	139	146.6 Å²	146.6	74%	0.743	78%	0.78	S	S	*	*			trans	60.5	166.8	150.6	-49.2	-10.1	0	0	0	117.6
995	V	32.5	Very low	32.1	Very low	122 Å²	122	145.7 Å²	145.7	74%	0.739	78%	0.781	S	S	*	*			cis	-144.3	122.1	18.4	172.4	0	0	0	0	112.2
996	I	32.2	Very low	32.2	Very low	160 Å²	160	139.8 Å²	139.8	82%	0.821	77%	0.773	S	S	*	*			trans	46.8	128.1	133.6	-53.9	175.2	0	0	0	122.4
997	D	30.5	Very low	32.2	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	77%	0.773	S	S	*	*			trans	-88	155.7	165.5	-155.8	11.4	0	0	0	110.3
998	P	35.1	Very low	32.3	Very low	121 Å²	121	144.5 Å²	144.5	79%	0.786	78%	0.777	S	S	*	*				-159.2	-163	77.1	43.6	-20.7	0	0	0	116.3
999	C	28.7	Very low	32.3	Very low	117 Å²	117	142 Å²	142	79%	0.791	77%	0.769	S	S	*	*			trans	-107.2	163.2	-169.5	-173.2	0	0	0	0	116.1
1000	S	29.9	Very low	32.3	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	77%	0.768	S	S	*	*			trans	87.8	119.6	153.9	76.9	0	0	0	0	121.7
1001	R	31.7	Very low	32	Very low	243 Å²	243	138.7 Å²	138.7	92%	0.917	76%	0.76	S	S	*	*				-173.1	164.4	122.4	-104.7	177.5	-178.3	-167.1	-0.8	113.7
1002	L	30.9	Very low	32	Very low	145 Å²	145	140.2 Å²	140.2	76%	0.759	77%	0.765	S	S	*	*			trans	-66.9	171.8	175.6	-63.6	103.8	0	0	0	111.3
1003	E	32.8	Very low	31.9	Very low	166 Å²	166	138.3 Å²	138.3	78%	0.776	76%	0.762	S	S	*	*			cis	-170.1	166	45.3	-154.2	156.6	-101.8	0	0	115.6
1004	N	30.6	Very low	31.8	Very low	137 Å²	137	134.5 Å²	134.5	73%	0.733	76%	0.757	S	S	*	*			trans	-19.9	142.2	177	-53.9	-34.6	0	0	0	122.5
1005	V	35	Very low	31.6	Very low	152 Å²	152	137.9 Å²	137.9	92%	0.921	76%	0.759	S	S	*	*				-139.5	148.8	127	-178	0	0	0	0	108.6
1006	S	33.4	Very low	31.5	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	76%	0.76	S	S	*	*			trans	-119.5	158.1	-174.2	54.5	0	0	0	0	113.4
1007	E	34.5	Very low	31.3	Very low	162 Å²	162	136 Å²	136	76%	0.757	76%	0.76	S	S	*	*				179	141.5	118.3	-99.3	-171.2	-162.2	0	0	114.7
1008	N	34.7	Very low	31.2	Very low	135 Å²	135	133 Å²	133	72%	0.722	76%	0.763	S	S	*	*			trans	47.6	144	140.9	-58.2	-34.8	0	0	0	123
1009	A	35.4	Very low	30.8	Very low	74 Å²	74	136.1 Å²	136.1	61%	0.612	77%	0.772	S	S	*	*			cis	-172.5	151.5	-19.1	0	0	0	0	0	110.8
1010	N	31	Very low	30.7	Very low	161 Å²	161	133.9 Å²	133.9	86%	0.861	77%	0.769	S	S	*	*			trans	48.6	149.9	141.7	-65.2	-16.5	0	0	0	122.9
1011	C	26.9	Very low	30.7	Very low	110 Å²	110	134.5 Å²	134.5	74%	0.743	77%	0.774	S	S	*	*			cis	-175.4	-179.8	-16.3	-171.3	0	0	0	0	109.5
1012	V	30.3	Very low	30.7	Very low	129 Å²	129	127.8 Å²	127.8	78%	0.782	76%	0.764	S	S	*	*			trans	89.4	145.6	159	-162.5	0	0	0	0	119
1013	S	30.4	Very low	30.6	Very low	90 Å²	90	128.3 Å²	128.3	63%	0.629	77%	0.767	S	S	*	*			trans	-81.7	-178.6	178	53.5	0	0	0	0	112.5
1014	D	29.9	Very low	30.5	Very low	116 Å²	116	125 Å²	125	62%	0.62	76%	0.763	S	S	*	*			cis	-167.8	165.7	40.5	-124	-57.1	0	0	0	114.9
1015	R	28	Very low	30.5	Very low	210 Å²	210	126.2 Å²	126.2	79%	0.792	77%	0.769	S	S	*	*			trans	22.3	150.4	152.2	-73.1	157	-156.6	-122.8	-2.7	125.6
1016	T	28.7	Very low	30.6	Very low	123 Å²	123	124.9 Å²	124.9	76%	0.755	77%	0.767	S	S	*	*			trans	80.1	96.8	141.1	39.2	0	0	0	0	122.3
1017	S	29.6	Very low	31.4	Very low	119 Å²	119	124 Å²	124	83%	0.832	77%	0.765	S	S	*	*				50.8	114.5	124	62	0	0	0	0	121.5
1018	G	27.8	Very low	32.7	Very low	80 Å²	80	120.2 Å²	120.2	83%	0.825	76%	0.756	S	S	*	*			trans	-158.3	143.4	158	0	0	0	0	0	111.2
1019	L	27.5	Very low	34.7	Very low	187 Å²	187	114.8 Å²	114.8	98%	0.979	73%	0.727	S	S	*	*			trans	-93	149.5	177.4	-62.8	115	0	0	0	110.9
1020	G	26.1	Very low	37	Very low	70 Å²	70	116 Å²	116	72%	0.722	72%	0.722	S	S	*	*			trans	-179.1	34	-179.4	0	0	0	0	0	121.9
1021	S	29.4	Very low	39.6	Very low	117 Å²	117	108.5 Å²	108.5	82%	0.818	68%	0.683	S	S	*	*			trans	56.3	157.7	152.3	-57	0	0	0	0	123.4
1022	S	30.8	Very low	42.1	Very low	101 Å²	101	113.7 Å²	113.7	71%	0.706	69%	0.687	S	S	*	*			trans	85.5	113.4	155.4	-43.1	0	0	0	0	119.8
1023	D	30.7	Very low	44.2	Very low	157 Å²	157	110.2 Å²	110.2	84%	0.84	67%	0.668	S	S	*	*			trans	66.1	140.1	137.9	-60.1	-19.4	0	0	0	121
1024	S	29.6	Very low	46.6	Very low	97 Å²	97	108.4 Å²	108.4	68%	0.678	66%	0.663	S	S	*	*			cis	-159.7	-179.3	-0.3	48.5	0	0	0	0	112.3
1025	N	30.8	Very low	48.9	Very low	161 Å²	161	107.6 Å²	107.6	86%	0.861	66%	0.656	S	S	*	*			trans	67.2	83.5	165.4	-66.9	-20	0	0	0	118.7
1026	S	36.3	Very low	51.6	Low	125 Å²	125	101 Å²	101	87%	0.874	64%	0.64	S	S	*	*			trans	-132.1	134.6	145.9	-172.7	0	0	0	0	109.3	C1028	S1026-C1028 PolarHBondContact O-N 3.43Å
1027	A	50	Low	54.1	Low	79 Å²	79	95.8 Å²	95.8	65%	0.653	61%	0.609	S	S	*	*			trans	-76.8	106.8	-166.2	0	0	0	0	0	112.4	V1029	A1027-V1029 PolarHBondContact O-N 2.77Å
1028	C	61.9	Low	56.8	Low	84 Å²	84	96.3 Å²	96.3	57%	0.568	60%	0.596	S	S	*	*			trans	-71.3	112.3	174.9	-172.3	0	0	0	0	110.9	S1026 I1030	S1026-C1028 PolarHBondContact O-N 3.43Å; C1028-I1030 PolarHBondContact O-N 2.72Å
1029	V	78	Confident	59.6	Low	21 Å²	21	96.3 Å²	96.3	13%	0.127	58%	0.577	C	S	.	*			trans	-72.8	114.2	171.4	-179.8	0	0	0	0	108.5	A1027 A1037 Y1054 F1073	A1027-V1029 PolarHBondContact O-N 2.77Å; V1029-A1037 HydrophobicContact CB-CB 4.42Å; V1029-A1037 HydrophobicContact CG1-CB 4.03Å; V1029-A1037 VanDerWaalsContact O-CB 3.28Å; V1029-A1037 WeakPolarHBondContact O-CB 3.41Å; V1029-A1037 PolarHBondContact O-N 3.24Å; V1029-Y1054 HydrophobicContact CB-CD1 3.87Å; V1029-Y1054 HydrophobicContact CB-CD2 4.47Å; V1029-Y1054 HydrophobicContact CB-CE1 4.03Å; V1029-Y1054 HydrophobicContact CB-CG 4.11Å; V1029-Y1054 HydrophobicContact CG1-CD1 4.22Å; V1029-Y1054 HydrophobicContact CG1-CD2 4.39Å; V1029-Y1054 HydrophobicContact CG1-CG 4Å; V1029-Y1054 HydrophobicContact CG2-CD1 4.15Å; V1029-Y1054 HydrophobicContact CG2-CD2 4.11Å; V1029-Y1054 HydrophobicContact CG2-CE1 3.93Å; V1029-Y1054 HydrophobicContact CG2-CE2 3.9Å; V1029-Y1054 HydrophobicContact CG2-CG 4.24Å; V1029-F1073 HydrophobicContact CG1-CE1 3.78Å; V1029-F1073 HydrophobicContact CG1-CZ 3.61Å
1030	I	83.8	Confident	62.3	Low	98 Å²	98	90.6 Å²	90.6	50%	0.503	55%	0.547	S	S	.	.	B	Isolated β-bridge	trans	-101.6	136.1	-177.9	-69.9	176.6	0	0	0	110.7	C1028 G1034	C1028-I1030 PolarHBondContact O-N 2.72Å; I1030-G1034 WeakPolarHBondContact CG2-O 3.42Å
1031	C	84.9	Confident	64.9	Low	5 Å²	5	89.9 Å²	89.9	3%	0.034	53%	0.529	C	S	.	.			trans	-85.8	168.6	177.4	79.4	0	0	0	0	112.4	C1033 G1034 E1035 A1037 C1056 F1073	C1031-C1033 PolarHBondContact O-N 3.45Å; C1031-G1034 PolarHBondContact O-N 2.94Å; C1031-E1035 PolarHBondContact N-O 3.21Å; C1031-E1035 PolarHBondContact SG-O 2.87Å; C1031-A1037 HydrophobicContact CB-CB 4.26Å; C1031-C1056 HydrophobicContact CB-CB 3.81Å; C1031-C1056 VanDerWaalsContact SG-SG 3.64Å; C1031-F1073 HydrophobicContact CB-CB 3.58Å; C1031-F1073 HydrophobicContact CB-CD1 3.85Å; C1031-F1073 HydrophobicContact CB-CD2 4.18Å; C1031-F1073 HydrophobicContact CB-CG 3.61Å
1032	R	79.1	Confident	67.2	Low	218 Å²	218	85.5 Å²	85.5	82%	0.823	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	0	-179.8	-59.3	178.5	179	-175.4	-0.8	115	C1071	R1032-C1071 HydrophobicContact CB-CB 3.79Å; R1032-C1071 PolarHBondContact N-SG 2.83Å; R1032-C1071 VanDerWaalsContact N-SG 3.4Å
1033	C	75.7	Confident	68.9	Low	57 Å²	57	87 Å²	87	39%	0.385	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.2	167.4	-64.8	0	0	0	0	113.3	C1031 E1035 C1071	C1031-C1033 PolarHBondContact O-N 3.45Å; C1033-E1035 HydrophobicContact CB-CB 4.43Å; C1033-E1035 HydrophobicContact CB-CG 4.27Å; C1033-E1035 PolarHBondContact O-N 3.15Å; C1033-C1071 PolarHBondContact N-SG 3.01Å; C1033-C1071 WeakPolarHBondContact SG-CB 3.39Å; C1033-C1071 PolarHBondContact SG-SG 3.47Å
1034	G	79.5	Confident	70.5	Confident	51 Å²	51	87.5 Å²	87.5	53%	0.526	49%	0.492	S	S	.	.	S	Bend	trans	85.3	-18.4	-166.6	0	0	0	0	0	113.8	I1030 C1031	I1030-G1034 WeakPolarHBondContact CG2-O 3.42Å; C1031-G1034 PolarHBondContact O-N 2.94Å
1035	E	79.2	Confident	71.5	Confident	100 Å²	100	89 Å²	89	47%	0.467	49%	0.488	S	S	.	.	S	Bend	trans	-72.3	147.5	178.4	-66.3	-59.5	147.6	0	0	113.5	C1031 C1033 A1037 P1057	C1031-E1035 PolarHBondContact N-O 3.21Å; C1031-E1035 PolarHBondContact SG-O 2.87Å; C1033-E1035 HydrophobicContact CB-CB 4.43Å; C1033-E1035 HydrophobicContact CB-CG 4.27Å; C1033-E1035 PolarHBondContact O-N 3.15Å; E1035-A1037 PolarHBondContact O-N 3.4Å; E1035-P1057 HydrophobicContact CB-CG 4.23Å
1036	P	83.4	Confident	73.2	Confident	71 Å²	71	84.1 Å²	84.1	46%	0.461	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-53.8	131.1	167.4	-25.9	35.7	0	0	0	112.4	P1057	P1036-P1057 WeakPolarHBondContact O-CD 3.28Å
1037	A	82.2	Confident	74.3	Confident	13 Å²	13	84.1 Å²	84.1	11%	0.107	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-77.5	135	176.6	0	0	0	0	0	110.6	V1029 C1031 E1035 Y1054 A1055 F1073	V1029-A1037 HydrophobicContact CB-CB 4.42Å; V1029-A1037 HydrophobicContact CG1-CB 4.03Å; V1029-A1037 VanDerWaalsContact O-CB 3.28Å; V1029-A1037 WeakPolarHBondContact O-CB 3.41Å; V1029-A1037 PolarHBondContact O-N 3.24Å; C1031-A1037 HydrophobicContact CB-CB 4.26Å; E1035-A1037 PolarHBondContact O-N 3.4Å; A1037-Y1054 HydrophobicContact CB-CD1 4.25Å; A1037-A1055 CarbonylContact C-O 3.54Å; A1037-A1055 WeakPolarHBondContact CA-O 3.36Å; A1037-F1073 HydrophobicContact CB-CD1 3.8Å; A1037-F1073 HydrophobicContact CB-CE1 3.56Å
1038	K	85.5	Confident	75.2	Confident	130 Å²	130	82.5 Å²	82.5	57%	0.565	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.3	-177.9	-176.7	171.4	-177.3	172.6	0	111	L1040 Y1054 A1055	K1038-L1040 HydrophobicContact CD-CD2 4.28Å; K1038-L1040 HydrophobicContact CG-CD2 4.24Å; K1038-L1040 HydrophobicContact CG-CG 4.49Å; K1038-Y1054 CarbonylContact O-C 3.43Å; K1038-Y1054 WeakPolarHBondContact O-CA 3.36Å; K1038-A1055 PolarHBondContact N-O 3.43Å; K1038-A1055 PolarHBondContact O-N 2.85Å
1039	L	87.6	Confident	76	Confident	81 Å²	81	82.6 Å²	82.6	42%	0.424	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.3	171.4	-169.7	64.1	0	0	0	111	H1052 F1053 Y1054 A1077	L1039-H1052 HydrophobicContact CD1-CB 4.09Å; L1039-F1053 CarbonylContact C-O 3.55Å; L1039-F1053 WeakPolarHBondContact CA-O 3.34Å; L1039-Y1054 HydrophobicContact CB-CD1 4.35Å; L1039-Y1054 HydrophobicContact CB-CE1 4.18Å; L1039-Y1054 HydrophobicContact CD1-CD1 4.32Å; L1039-Y1054 HydrophobicContact CD1-CD2 4.18Å; L1039-Y1054 HydrophobicContact CD1-CE1 4.12Å; L1039-Y1054 HydrophobicContact CD1-CE2 3.95Å; L1039-Y1054 HydrophobicContact CD1-CG 4.35Å; L1039-A1077 HydrophobicContact CD1-CB 3.66Å
1040	L	84.1	Confident	75.9	Confident	67 Å²	67	83.7 Å²	83.7	35%	0.351	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	164.4	-175	-64.1	175.9	0	0	0	110.7	K1038 H1052 F1053 A1055	K1038-L1040 HydrophobicContact CD-CD2 4.28Å; K1038-L1040 HydrophobicContact CG-CD2 4.24Å; K1038-L1040 HydrophobicContact CG-CG 4.49Å; L1040-H1052 CarbonylContact O-C 3.49Å; L1040-H1052 VanDerWaalsContact O-CA 3.31Å; L1040-H1052 WeakPolarHBondContact O-CA 3.21Å; L1040-F1053 HydrophobicContact CB-CD1 4.14Å; L1040-F1053 HydrophobicContact CB-CD2 4.33Å; L1040-F1053 HydrophobicContact CB-CE1 3.68Å; L1040-F1053 HydrophobicContact CB-CE2 3.91Å; L1040-F1053 HydrophobicContact CB-CG 4.45Å; L1040-F1053 HydrophobicContact CB-CZ 3.56Å; L1040-F1053 HydrophobicContact CD1-CE2 3.74Å; L1040-F1053 HydrophobicContact CD1-CZ 3.82Å; L1040-F1053 HydrophobicContact CG-CE2 4.43Å; L1040-F1053 HydrophobicContact CG-CZ 4.36Å; L1040-F1053 PolarHBondContact N-O 3.05Å; L1040-F1053 PolarHBondContact O-N 3.11Å; L1040-A1055 HydrophobicContact CD1-CB 3.9Å
1041	V	80.9	Confident	75.9	Confident	55 Å²	55	81.7 Å²	81.7	33%	0.333	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.7	177.9	172.1	0	0	0	0	110.7	N1043 H1052	V1041-N1043 PolarHBondContact O-N 2.79Å; V1041-H1052 WeakPolarHBondContact CG2-CD2 3.14Å; V1041-H1052 WeakPolarHBondContact CG2-NE2 3.42Å
1042	V	77.5	Confident	76	Confident	24 Å²	24	86 Å²	86	15%	0.145	46%	0.458	C	S	.	.			trans	-72.9	97.2	173.4	179.6	0	0	0	0	110.4	N1048 K1049 G1050 R1051 F1053 W1076	V1042-N1048 WeakPolarHBondContact CB-O 3.45Å; V1042-N1048 HydrophobicContact CG1-CB 4.25Å; V1042-N1048 HydrophobicContact CG2-CB 4.45Å; V1042-K1049 CarbonylContact O-C 3.5Å; V1042-K1049 WeakPolarHBondContact O-CA 3.39Å; V1042-G1050 PolarHBondContact O-N 2.87Å; V1042-R1051 PolarHBondContact N-O 3.18Å; V1042-F1053 HydrophobicContact CG2-CD1 3.81Å; V1042-F1053 HydrophobicContact CG2-CE1 3.85Å; V1042-W1076 HydrophobicContact CG2-CH2 3.94Å; V1042-W1076 HydrophobicContact CG2-CZ3 3.84Å
1043	N	65.9	Low	76.6	Confident	132 Å²	132	77.2 Å²	77.2	71%	0.706	43%	0.426	S	S	*	.			trans	-81.3	-18.3	176.6	-69.3	-16.4	0	0	0	113.6	V1041 Q1045	V1041-N1043 PolarHBondContact O-N 2.79Å; N1043-Q1045 PolarHBondContact O-N 2.88Å
1044	K	65	Low	77.3	Confident	168 Å²	168	76.3 Å²	76.3	73%	0.73	42%	0.415	S	S	*	.	S	Bend	trans	-70.4	124.2	-178.3	-170.9	170.9	-175.5	172.5	0	110.9	S1046	K1044-S1046 WeakPolarHBondContact O-CB 3.48Å; K1044-S1046 PolarHBondContact O-N 3.31Å; K1044-S1046 PolarHBondContact O-OG 2.89Å
1045	Q	50.7	Low	77.6	Confident	129 Å²	129	74.6 Å²	74.6	60%	0.603	40%	0.396	S	S	*	.	S	Bend	trans	-57.1	103.5	179.5	-155.5	84.7	-6.9	0	0	110	N1043 K1049	N1043-Q1045 PolarHBondContact O-N 2.88Å; Q1045-K1049 VanDerWaalsContact OE1-CD 3.3Å
1046	S	65	Low	77.8	Confident	58 Å²	58	70 Å²	70	41%	0.406	38%	0.375	S	S	.	.	S	Bend	trans	-165.5	173.1	-168.5	65	0	0	0	0	109.8	K1044 N1048 K1049	K1044-S1046 WeakPolarHBondContact O-CB 3.48Å; K1044-S1046 PolarHBondContact O-N 3.31Å; K1044-S1046 PolarHBondContact O-OG 2.89Å; S1046-N1048 PolarHBondContact O-N 3.27Å; S1046-N1048 VanDerWaalsContact O-N 3.1Å; S1046-N1048 PolarHBondContact OG-N 3.41Å; S1046-K1049 PolarHBondContact O-N 2.85Å; S1046-K1049 VanDerWaalsContact O-N 3.11Å
1047	S	59.6	Low	77.5	Confident	125 Å²	125	69.4 Å²	69.4	87%	0.874	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-6.7	174.4	52.2	0	0	0	0	115
1048	N	70	Confident	77	Confident	45 Å²	45	72.3 Å²	72.3	24%	0.241	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	7	174.7	-66.3	-58.4	0	0	0	112.9	V1042 S1046 G1050 R1051 W1076	V1042-N1048 WeakPolarHBondContact CB-O 3.45Å; V1042-N1048 HydrophobicContact CG1-CB 4.25Å; V1042-N1048 HydrophobicContact CG2-CB 4.45Å; S1046-N1048 PolarHBondContact O-N 3.27Å; S1046-N1048 VanDerWaalsContact O-N 3.1Å; S1046-N1048 PolarHBondContact OG-N 3.41Å; N1048-G1050 PolarHBondContact O-N 2.88Å; N1048-R1051 WeakPolarHBondContact O-CB 3.47Å; N1048-R1051 PolarHBondContact O-N 2.86Å; N1048-R1051 PolarHBondContact OD1-NH1 3.18Å; N1048-W1076 HydrophobicContact CB-CH2 3.86Å
1049	K	78.3	Confident	75.8	Confident	87 Å²	87	68.2 Å²	68.2	38%	0.378	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	131.9	-175.7	-171.8	-166.3	178.1	-177.1	0	110.9	E274 V1042 Q1045 S1046 R1051	E274-K1049 IonicContact OE2-NZ 3.54Å; V1042-K1049 CarbonylContact O-C 3.5Å; V1042-K1049 WeakPolarHBondContact O-CA 3.39Å; Q1045-K1049 VanDerWaalsContact OE1-CD 3.3Å; S1046-K1049 PolarHBondContact O-N 2.85Å; S1046-K1049 VanDerWaalsContact O-N 3.11Å; K1049-R1051 VanDerWaalsContact C-N 3.31Å
1050	G	75.6	Confident	74.1	Confident	44 Å²	44	74.6 Å²	74.6	45%	0.454	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-10	-178.8	0	0	0	0	0	114.8	V1042 N1048	V1042-G1050 PolarHBondContact O-N 2.87Å; N1048-G1050 PolarHBondContact O-N 2.88Å
1051	R	84.4	Confident	72.2	Confident	56 Å²	56	77.2 Å²	77.2	21%	0.211	41%	0.412	C	S	.	.			trans	-76.2	141.1	179.5	-164	170.6	172	-132.9	-4.7	111.3	V1042 N1048 K1049 W1076 D1078	V1042-R1051 PolarHBondContact N-O 3.18Å; N1048-R1051 WeakPolarHBondContact O-CB 3.47Å; N1048-R1051 PolarHBondContact O-N 2.86Å; N1048-R1051 PolarHBondContact OD1-NH1 3.18Å; K1049-R1051 VanDerWaalsContact C-N 3.31Å; R1051-W1076 HydrophobicContact CB-CE3 4.44Å; R1051-W1076 HydrophobicContact CB-CZ3 3.92Å; R1051-W1076 HydrophobicContact CG-CE3 3.79Å; R1051-W1076 HydrophobicContact CG-CZ3 3.76Å; R1051-W1076 VanDerWaalsContact CZ-CD2 3.45Å; R1051-D1078 IonicContact CZ-OD1 2.92Å; R1051-D1078 IonicContact CZ-OD2 3.21Å; R1051-D1078 IonicContact NE-OD1 3.87Å; R1051-D1078 PolarHBondContact NE-OD1 2.66Å; R1051-D1078 IonicContact NE-OD2 3.6Å; R1051-D1078 PolarHBondContact NE-OD2 2.87Å; R1051-D1078 IonicContact NH2-OD1 3.88Å; R1051-D1078 PolarHBondContact NH2-OD1 2.74Å; R1051-D1078 IonicContact NH2-OD2 2.65Å; R1051-D1078 PolarHBondContact NH2-OD2 3.28Å
1052	H	87.9	Confident	70.4	Confident	94 Å²	94	78.5 Å²	78.5	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	142.7	-176.4	-74.4	108.1	0	0	0	112.6	L1039 L1040 V1041 A1077	L1039-H1052 HydrophobicContact CD1-CB 4.09Å; L1040-H1052 CarbonylContact O-C 3.49Å; L1040-H1052 VanDerWaalsContact O-CA 3.31Å; L1040-H1052 WeakPolarHBondContact O-CA 3.21Å; V1041-H1052 WeakPolarHBondContact CG2-CD2 3.14Å; V1041-H1052 WeakPolarHBondContact CG2-NE2 3.42Å; H1052-A1077 HydrophobicContact CB-CB 3.57Å; H1052-A1077 PolarHBondContact O-N 2.79Å
1053	F	90.9	Very high	68.9	Low	34 Å²	34	83.5 Å²	83.5	15%	0.149	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147.3	175.6	69.5	-81.7	0	0	0	112.4	L1039 L1040 V1042 A1055 F1074 Q1075 W1076	L1039-F1053 CarbonylContact C-O 3.55Å; L1039-F1053 WeakPolarHBondContact CA-O 3.34Å; L1040-F1053 HydrophobicContact CB-CD1 4.14Å; L1040-F1053 HydrophobicContact CB-CD2 4.33Å; L1040-F1053 HydrophobicContact CB-CE1 3.68Å; L1040-F1053 HydrophobicContact CB-CE2 3.91Å; L1040-F1053 HydrophobicContact CB-CG 4.45Å; L1040-F1053 HydrophobicContact CB-CZ 3.56Å; L1040-F1053 HydrophobicContact CD1-CE2 3.74Å; L1040-F1053 HydrophobicContact CD1-CZ 3.82Å; L1040-F1053 HydrophobicContact CG-CE2 4.43Å; L1040-F1053 HydrophobicContact CG-CZ 4.36Å; L1040-F1053 PolarHBondContact N-O 3.05Å; L1040-F1053 PolarHBondContact O-N 3.11Å; V1042-F1053 HydrophobicContact CG2-CD1 3.81Å; V1042-F1053 HydrophobicContact CG2-CE1 3.85Å; F1053-A1055 HydrophobicContact CD2-CB 4.27Å; F1053-A1055 HydrophobicContact CE2-CB 4.04Å; F1053-F1074 HydrophobicContact CB-CD2 4.48Å; F1053-F1074 HydrophobicContact CB-CE2 3.76Å; F1053-F1074 HydrophobicContact CB-CZ 4Å; F1053-F1074 HydrophobicContact CD1-CE2 4.45Å; F1053-F1074 AromaticContact CD2-CD2 3.56Å; F1053-F1074 HydrophobicContact CD2-CD2 3.56Å; F1053-F1074 AromaticContact CD2-CE2 3.32Å; F1053-F1074 HydrophobicContact CD2-CE2 3.32Å; F1053-F1074 HydrophobicContact CD2-CZ 4.36Å; F1053-F1074 HydrophobicContact CE2-CD2 4.09Å; F1053-F1074 AromaticContact CE2-CE2 3.95Å; F1053-F1074 HydrophobicContact CE2-CE2 3.95Å; F1053-F1074 HydrophobicContact CG-CD2 4.27Å; F1053-F1074 AromaticContact CG-CE2 3.6Å; F1053-F1074 HydrophobicContact CG-CE2 3.6Å; F1053-F1074 HydrophobicContact CG-CZ 4.28Å; F1053-Q1075 CarbonylContact C-O 3.58Å; F1053-Q1075 VanDerWaalsContact CA-O 3.26Å; F1053-Q1075 WeakPolarHBondContact CA-O 3.45Å; F1053-Q1075 WeakPolarHBondContact CB-O 3.33Å; F1053-W1076 HydrophobicContact CB-CE3 4.02Å; F1053-W1076 HydrophobicContact CB-CZ3 4.31Å
1054	Y	90	Very high	67.4	Low	39 Å²	39	83.9 Å²	83.9	15%	0.153	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.2	170	-67	-88.3	0	0	0	110.7	V1029 A1037 K1038 L1039 F1074 Q1075 A1077 I1080	V1029-Y1054 HydrophobicContact CB-CD1 3.87Å; V1029-Y1054 HydrophobicContact CB-CD2 4.47Å; V1029-Y1054 HydrophobicContact CB-CE1 4.03Å; V1029-Y1054 HydrophobicContact CB-CG 4.11Å; V1029-Y1054 HydrophobicContact CG1-CD1 4.22Å; V1029-Y1054 HydrophobicContact CG1-CD2 4.39Å; V1029-Y1054 HydrophobicContact CG1-CG 4Å; V1029-Y1054 HydrophobicContact CG2-CD1 4.15Å; V1029-Y1054 HydrophobicContact CG2-CD2 4.11Å; V1029-Y1054 HydrophobicContact CG2-CE1 3.93Å; V1029-Y1054 HydrophobicContact CG2-CE2 3.9Å; V1029-Y1054 HydrophobicContact CG2-CG 4.24Å; A1037-Y1054 HydrophobicContact CB-CD1 4.25Å; K1038-Y1054 CarbonylContact O-C 3.43Å; K1038-Y1054 WeakPolarHBondContact O-CA 3.36Å; L1039-Y1054 HydrophobicContact CB-CD1 4.35Å; L1039-Y1054 HydrophobicContact CB-CE1 4.18Å; L1039-Y1054 HydrophobicContact CD1-CD1 4.32Å; L1039-Y1054 HydrophobicContact CD1-CD2 4.18Å; L1039-Y1054 HydrophobicContact CD1-CE1 4.12Å; L1039-Y1054 HydrophobicContact CD1-CE2 3.95Å; L1039-Y1054 HydrophobicContact CD1-CG 4.35Å; Y1054-F1074 WeakPolarHBondContact O-CA 3.17Å; Y1054-Q1075 PolarHBondContact N-O 3.29Å; Y1054-Q1075 PolarHBondContact O-N 2.88Å; Y1054-A1077 HydrophobicContact CD2-CB 4.1Å; Y1054-A1077 HydrophobicContact CE2-CB 3.72Å; Y1054-I1080 HydrophobicContact CE2-CD1 3.92Å
1055	A	85.1	Confident	66	Low	15 Å²	15	79.7 Å²	79.7	12%	0.124	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.2	174	0	0	0	0	0	112.8	A1037 K1038 L1040 F1053 F1073	A1037-A1055 CarbonylContact C-O 3.54Å; A1037-A1055 WeakPolarHBondContact CA-O 3.36Å; K1038-A1055 PolarHBondContact N-O 3.43Å; K1038-A1055 PolarHBondContact O-N 2.85Å; L1040-A1055 HydrophobicContact CD1-CB 3.9Å; F1053-A1055 HydrophobicContact CD2-CB 4.27Å; F1053-A1055 HydrophobicContact CE2-CB 4.04Å; A1055-F1073 VanDerWaalsContact CA-O 3.28Å; A1055-F1073 WeakPolarHBondContact CA-O 3.25Å
1056	C	85.3	Confident	65.5	Low	4 Å²	4	75.2 Å²	75.2	3%	0.027	44%	0.442	C	S	.	.			trans	-64.8	126.7	173.8	167.5	0	0	0	0	110.7	C1031 N1058 S1059 C1071 F1073	C1031-C1056 HydrophobicContact CB-CB 3.81Å; C1031-C1056 VanDerWaalsContact SG-SG 3.64Å; C1056-N1058 PolarHBondContact O-N 2.97Å; C1056-N1058 VanDerWaalsContact O-N 3.14Å; C1056-S1059 VanDerWaalsContact CB-OG 3.31Å; C1056-S1059 WeakPolarHBondContact CB-OG 3.38Å; C1056-S1059 VanDerWaalsContact O-CB 3.29Å; C1056-S1059 WeakPolarHBondContact O-CB 3.11Å; C1056-S1059 PolarHBondContact O-N 2.86Å; C1056-S1059 PolarHBondContact O-OG 2.89Å; C1056-C1071 VanDerWaalsContact CB-SG 3.54Å; C1056-F1073 HydrophobicContact CB-CB 3.87Å; C1056-F1073 PolarHBondContact N-O 3.43Å
1057	P	75.8	Confident	64.4	Low	58 Å²	58	78.7 Å²	78.7	38%	0.377	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.3	-174.3	24.5	-34.7	0	0	0	114.2	E1035 P1036 S1059	E1035-P1057 HydrophobicContact CB-CG 4.23Å; P1036-P1057 WeakPolarHBondContact O-CD 3.28Å; P1057-S1059 VanDerWaalsContact C-N 3.29Å; P1057-S1059 PolarHBondContact O-N 3.44Å
1058	N	72.1	Confident	64	Low	73 Å²	73	76.2 Å²	76.2	39%	0.39	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.5	179.2	-60.5	-14.3	0	0	0	113.4	C1056 R1060 S1069	C1056-N1058 PolarHBondContact O-N 2.97Å; C1056-N1058 VanDerWaalsContact O-N 3.14Å; N1058-R1060 VanDerWaalsContact C-N 3.26Å; N1058-R1060 PolarHBondContact O-N 3.27Å; N1058-S1069 WeakPolarHBondContact CB-O 3.47Å
1059	S	60.3	Low	63.4	Low	45 Å²	45	78.8 Å²	78.8	32%	0.315	47%	0.472	S	S	.	.			trans	-79.2	67.3	-178.4	-42.8	0	0	0	0	111.9	C1056 P1057	C1056-S1059 VanDerWaalsContact CB-OG 3.31Å; C1056-S1059 WeakPolarHBondContact CB-OG 3.38Å; C1056-S1059 VanDerWaalsContact O-CB 3.29Å; C1056-S1059 WeakPolarHBondContact O-CB 3.11Å; C1056-S1059 PolarHBondContact O-N 2.86Å; C1056-S1059 PolarHBondContact O-OG 2.89Å; P1057-S1059 VanDerWaalsContact C-N 3.29Å; P1057-S1059 PolarHBondContact O-N 3.44Å
1060	R	52.8	Low	62.9	Low	215 Å²	215	75.3 Å²	75.3	81%	0.811	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-84.1	138.7	169.8	-69	-171	179	-164.9	1.2	110.5	N1058 N1062	N1058-R1060 VanDerWaalsContact C-N 3.26Å; N1058-R1060 PolarHBondContact O-N 3.27Å; R1060-N1062 PolarHBondContact O-N 2.86Å
1061	P	44.2	Very low	63.1	Low	122 Å²	122	74.8 Å²	74.8	79%	0.792	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-60.5	125.9	160.9	-14.4	28.7	0	0	0	108.1
1062	N	43	Very low	62.6	Low	82 Å²	82	78.3 Å²	78.3	44%	0.439	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-83.4	124.7	178.9	-156.9	-3.5	0	0	0	109.8	R1060 D1064 G1066	R1060-N1062 PolarHBondContact O-N 2.86Å; N1062-D1064 PolarHBondContact OD1-N 2.68Å; N1062-G1066 WeakPolarHBondContact ND2-CA 3.37Å; N1062-G1066 PolarHBondContact ND2-N 3.38Å; N1062-G1066 PolarHBondContact ND2-O 2.93Å
1063	V	44.6	Very low	62.3	Low	128 Å²	128	75.4 Å²	75.4	78%	0.776	46%	0.459	S	S	*	.	S	Bend	trans	-85.1	-26	-178.6	-173.2	0	0	0	0	110.8
1064	D	34.2	Very low	62.2	Low	141 Å²	141	78.9 Å²	78.9	75%	0.754	47%	0.474	S	S	*	.	S	Bend	trans	-116.1	22.6	-162.4	-46.4	-56.5	0	0	0	113.4	N1062 G1066	N1062-D1064 PolarHBondContact OD1-N 2.68Å; D1064-G1066 VanDerWaalsContact C-N 3.3Å; D1064-G1066 PolarHBondContact O-N 2.78Å; D1064-G1066 VanDerWaalsContact O-N 3.13Å
1065	G	35.5	Very low	61.9	Low	79 Å²	79	80.1 Å²	80.1	81%	0.814	48%	0.482	S	S	*	.	S	Bend	trans	74.5	-2.5	168	0	0	0	0	0	118
1066	G	41.4	Very low	62	Low	36 Å²	36	82.1 Å²	82.1	37%	0.371	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-71.9	169.8	176.6	0	0	0	0	0	115	N1062 D1064	N1062-G1066 WeakPolarHBondContact ND2-CA 3.37Å; N1062-G1066 PolarHBondContact ND2-N 3.38Å; N1062-G1066 PolarHBondContact ND2-O 2.93Å; D1064-G1066 VanDerWaalsContact C-N 3.3Å; D1064-G1066 PolarHBondContact O-N 2.78Å; D1064-G1066 VanDerWaalsContact O-N 3.13Å
1067	P	42.2	Very low	61.5	Low	130 Å²	130	82.9 Å²	82.9	84%	0.844	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-63.6	136.3	176.5	27.5	-34.7	0	0	0	111.8
1068	A	49.7	Very low	61.4	Low	73 Å²	73	84.6 Å²	84.6	60%	0.603	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-74.8	126.2	-177.2	0	0	0	0	0	112.1	G1070	A1068-G1070 PolarHBondContact O-N 2.91Å
1069	S	58.6	Low	60.6	Low	100 Å²	100	87.2 Å²	87.2	70%	0.699	51%	0.508	S	S	*	.			trans	-92.3	20	-172.1	53.2	0	0	0	0	115.3	N1058	N1058-S1069 WeakPolarHBondContact CB-O 3.47Å
1070	G	66.5	Low	59.8	Low	13 Å²	13	88.9 Å²	88.9	13%	0.134	51%	0.513	C	S	.	.	S	Bend	trans	-129.8	144.4	-178	0	0	0	0	0	113.1	A1068 N1072	A1068-G1070 PolarHBondContact O-N 2.91Å; G1070-N1072 PolarHBondContact O-N 2.99Å
1071	C	81.2	Confident	58.9	Low	34 Å²	34	85.9 Å²	85.9	23%	0.23	51%	0.513	C	S	.	.			trans	-80.2	9.1	-173.5	66.8	0	0	0	0	116	R1032 C1033 C1056 F1073	R1032-C1071 HydrophobicContact CB-CB 3.79Å; R1032-C1071 PolarHBondContact N-SG 2.83Å; R1032-C1071 VanDerWaalsContact N-SG 3.4Å; C1033-C1071 PolarHBondContact N-SG 3.01Å; C1033-C1071 WeakPolarHBondContact SG-CB 3.39Å; C1033-C1071 PolarHBondContact SG-SG 3.47Å; C1056-C1071 VanDerWaalsContact CB-SG 3.54Å; C1071-F1073 PolarHBondContact O-N 3.46Å; C1071-F1073 VanDerWaalsContact O-N 3.08Å
1072	N	73.6	Confident	58.4	Low	129 Å²	129	86 Å²	86	69%	0.69	51%	0.514	S	S	*	.			trans	52.2	28.6	-179.3	-63.2	-31.6	0	0	0	115	G1070	G1070-N1072 PolarHBondContact O-N 2.99Å
1073	F	81.7	Confident	58	Low	34 Å²	34	87 Å²	87	15%	0.149	53%	0.534	C	S	.	.			trans	-61.7	136.6	173.6	178.8	-92	0	0	0	111.1	V1029 C1031 A1037 A1055 C1056 C1071 Q1075	V1029-F1073 HydrophobicContact CG1-CE1 3.78Å; V1029-F1073 HydrophobicContact CG1-CZ 3.61Å; C1031-F1073 HydrophobicContact CB-CB 3.58Å; C1031-F1073 HydrophobicContact CB-CD1 3.85Å; C1031-F1073 HydrophobicContact CB-CD2 4.18Å; C1031-F1073 HydrophobicContact CB-CG 3.61Å; A1037-F1073 HydrophobicContact CB-CD1 3.8Å; A1037-F1073 HydrophobicContact CB-CE1 3.56Å; A1055-F1073 VanDerWaalsContact CA-O 3.28Å; A1055-F1073 WeakPolarHBondContact CA-O 3.25Å; C1056-F1073 HydrophobicContact CB-CB 3.87Å; C1056-F1073 PolarHBondContact N-O 3.43Å; C1071-F1073 PolarHBondContact O-N 3.46Å; C1071-F1073 VanDerWaalsContact O-N 3.08Å; F1073-Q1075 HydrophobicContact CE1-CB 4.08Å; F1073-Q1075 HydrophobicContact CZ-CB 3.95Å
1074	F	87.4	Confident	57.3	Low	107 Å²	107	86.4 Å²	86.4	47%	0.469	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	131.7	176.5	175.5	-85.7	0	0	0	109.6	F1053 Y1054 W1076	F1053-F1074 HydrophobicContact CB-CD2 4.48Å; F1053-F1074 HydrophobicContact CB-CE2 3.76Å; F1053-F1074 HydrophobicContact CB-CZ 4Å; F1053-F1074 HydrophobicContact CD1-CE2 4.45Å; F1053-F1074 AromaticContact CD2-CD2 3.56Å; F1053-F1074 HydrophobicContact CD2-CD2 3.56Å; F1053-F1074 AromaticContact CD2-CE2 3.32Å; F1053-F1074 HydrophobicContact CD2-CE2 3.32Å; F1053-F1074 HydrophobicContact CD2-CZ 4.36Å; F1053-F1074 HydrophobicContact CE2-CD2 4.09Å; F1053-F1074 AromaticContact CE2-CE2 3.95Å; F1053-F1074 HydrophobicContact CE2-CE2 3.95Å; F1053-F1074 HydrophobicContact CG-CD2 4.27Å; F1053-F1074 AromaticContact CG-CE2 3.6Å; F1053-F1074 HydrophobicContact CG-CE2 3.6Å; F1053-F1074 HydrophobicContact CG-CZ 4.28Å; Y1054-F1074 WeakPolarHBondContact O-CA 3.17Å; F1074-W1076 AromaticContact CE1-CD1 3.98Å; F1074-W1076 HydrophobicContact CE1-CD2 4.15Å; F1074-W1076 AromaticContact CE1-CE2 3.79Å; F1074-W1076 HydrophobicContact CE1-CG 4.26Å; F1074-W1076 HydrophobicContact CE1-CZ2 4.27Å; F1074-W1076 AromaticContact CE1-NE1 3.68Å; F1074-W1076 AromaticContact CZ-CD2 3.89Å; F1074-W1076 HydrophobicContact CZ-CD2 3.89Å; F1074-W1076 AromaticContact CZ-CE2 3.59Å; F1074-W1076 HydrophobicContact CZ-CE3 4.25Å; F1074-W1076 HydrophobicContact CZ-CG 4.43Å; F1074-W1076 HydrophobicContact CZ-CH2 4.08Å; F1074-W1076 AromaticContact CZ-CZ2 3.72Å; F1074-W1076 HydrophobicContact CZ-CZ2 3.72Å; F1074-W1076 HydrophobicContact CZ-CZ3 4.33Å; F1074-W1076 AromaticContact CZ-NE1 3.99Å
1075	Q	84.3	Confident	57.2	Low	65 Å²	65	83.4 Å²	83.4	30%	0.304	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	136.1	172.5	177.9	174.2	-8.4	0	0	109.5	F1053 Y1054 F1073 H1079	F1053-Q1075 CarbonylContact C-O 3.58Å; F1053-Q1075 VanDerWaalsContact CA-O 3.26Å; F1053-Q1075 WeakPolarHBondContact CA-O 3.45Å; F1053-Q1075 WeakPolarHBondContact CB-O 3.33Å; Y1054-Q1075 PolarHBondContact N-O 3.29Å; Y1054-Q1075 PolarHBondContact O-N 2.88Å; F1073-Q1075 HydrophobicContact CE1-CB 4.08Å; F1073-Q1075 HydrophobicContact CZ-CB 3.95Å; Q1075-H1079 PolarHBondContact NE2-O 3.11Å
1076	W	86.7	Confident	57	Low	56 Å²	56	88.9 Å²	88.9	21%	0.212	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.5	172	-70.3	111.4	0	0	0	110.2	V1042 N1048 R1051 F1053 F1074 D1078 H1079	V1042-W1076 HydrophobicContact CG2-CH2 3.94Å; V1042-W1076 HydrophobicContact CG2-CZ3 3.84Å; N1048-W1076 HydrophobicContact CB-CH2 3.86Å; R1051-W1076 HydrophobicContact CB-CE3 4.44Å; R1051-W1076 HydrophobicContact CB-CZ3 3.92Å; R1051-W1076 HydrophobicContact CG-CE3 3.79Å; R1051-W1076 HydrophobicContact CG-CZ3 3.76Å; R1051-W1076 VanDerWaalsContact CZ-CD2 3.45Å; F1053-W1076 HydrophobicContact CB-CE3 4.02Å; F1053-W1076 HydrophobicContact CB-CZ3 4.31Å; F1074-W1076 AromaticContact CE1-CD1 3.98Å; F1074-W1076 HydrophobicContact CE1-CD2 4.15Å; F1074-W1076 AromaticContact CE1-CE2 3.79Å; F1074-W1076 HydrophobicContact CE1-CG 4.26Å; F1074-W1076 HydrophobicContact CE1-CZ2 4.27Å; F1074-W1076 AromaticContact CE1-NE1 3.68Å; F1074-W1076 AromaticContact CZ-CD2 3.89Å; F1074-W1076 HydrophobicContact CZ-CD2 3.89Å; F1074-W1076 AromaticContact CZ-CE2 3.59Å; F1074-W1076 HydrophobicContact CZ-CE3 4.25Å; F1074-W1076 HydrophobicContact CZ-CG 4.43Å; F1074-W1076 HydrophobicContact CZ-CH2 4.08Å; F1074-W1076 AromaticContact CZ-CZ2 3.72Å; F1074-W1076 HydrophobicContact CZ-CZ2 3.72Å; F1074-W1076 HydrophobicContact CZ-CZ3 4.33Å; F1074-W1076 AromaticContact CZ-NE1 3.99Å; W1076-D1078 VanDerWaalsContact C-N 3.27Å; W1076-D1078 PolarHBondContact O-N 3.21Å; W1076-H1079 PolarHBondContact O-N 3Å
1077	A	76.7	Confident	56.8	Low	21 Å²	21	92.7 Å²	92.7	17%	0.174	56%	0.563	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-24.6	-176.3	0	0	0	0	0	112.7	L1039 H1052 Y1054 H1079	L1039-A1077 HydrophobicContact CD1-CB 3.66Å; H1052-A1077 HydrophobicContact CB-CB 3.57Å; H1052-A1077 PolarHBondContact O-N 2.79Å; Y1054-A1077 HydrophobicContact CD2-CB 4.1Å; Y1054-A1077 HydrophobicContact CE2-CB 3.72Å; A1077-H1079 PolarHBondContact O-N 2.66Å; A1077-H1079 VanDerWaalsContact O-N 3.08Å
1078	D	72.1	Confident	56.4	Low	94 Å²	94	94.1 Å²	94.1	50%	0.503	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	27	168.7	50.9	-49.1	0	0	0	113.5	R1051 W1076	R1051-D1078 IonicContact CZ-OD1 2.92Å; R1051-D1078 IonicContact CZ-OD2 3.21Å; R1051-D1078 IonicContact NE-OD1 3.87Å; R1051-D1078 PolarHBondContact NE-OD1 2.66Å; R1051-D1078 IonicContact NE-OD2 3.6Å; R1051-D1078 PolarHBondContact NE-OD2 2.87Å; R1051-D1078 IonicContact NH2-OD1 3.88Å; R1051-D1078 PolarHBondContact NH2-OD1 2.74Å; R1051-D1078 IonicContact NH2-OD2 2.65Å; R1051-D1078 PolarHBondContact NH2-OD2 3.28Å; W1076-D1078 VanDerWaalsContact C-N 3.27Å; W1076-D1078 PolarHBondContact O-N 3.21Å
1079	H	55.4	Low	55.6	Low	128 Å²	128	95.7 Å²	95.7	59%	0.593	57%	0.57	S	S	*	*			trans	-130.2	52.5	168.7	-91.2	-81.9	0	0	0	110.1	Q1075 W1076 A1077	Q1075-H1079 PolarHBondContact NE2-O 3.11Å; W1076-H1079 PolarHBondContact O-N 3Å; A1077-H1079 PolarHBondContact O-N 2.66Å; A1077-H1079 VanDerWaalsContact O-N 3.08Å
1080	I	43.1	Very low	54.3	Low	80 Å²	80	96.3 Å²	96.3	41%	0.41	57%	0.574	S	S	.	*			trans	-116.9	110.3	167.2	-61.2	170.9	0	0	0	107.2	Y1054	Y1054-I1080 HydrophobicContact CE2-CD1 3.92Å
1081	D	34.1	Very low	52.5	Low	152 Å²	152	100 Å²	100	81%	0.813	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-74.3	125.8	169.9	-63	-56.2	0	0	0	109.4
1082	P	34.1	Very low	50.2	Low	125 Å²	125	109.1 Å²	109.1	81%	0.812	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-68.8	132.4	175	28	-33	0	0	0	110.4
1083	A	34.7	Very low	48	Very low	103 Å²	103	106.4 Å²	106.4	85%	0.851	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-72.3	142.2	-164.9	0	0	0	0	0	114.6	G1085	A1083-G1085 PolarHBondContact O-N 3.18Å
1084	S	29.6	Very low	45.6	Very low	115 Å²	115	112.9 Å²	112.9	80%	0.804	67%	0.667	S	S	*	*			trans	-80.1	106.2	171.9	55.9	0	0	0	0	112
1085	G	33.4	Very low	42.8	Very low	78 Å²	78	112.9 Å²	112.9	80%	0.804	68%	0.68	S	S	*	*			trans	-78.2	141.2	161.6	0	0	0	0	0	111.1	A1083	A1083-G1085 PolarHBondContact O-N 3.18Å
1086	Q	31.6	Very low	40.2	Very low	193 Å²	193	117.6 Å²	117.6	90%	0.902	71%	0.708	S	S	*	*			trans	-114.1	138.4	-179.6	-66	-174.6	-49.3	0	0	111.8
1087	S	37.1	Very low	37.5	Very low	117 Å²	117	126 Å²	126	82%	0.818	74%	0.739	S	S	*	*			trans	-148.2	146.1	150.6	50.5	0	0	0	0	109.2
1088	D	32.1	Very low	35.3	Very low	160 Å²	160	136.3 Å²	136.3	86%	0.856	77%	0.773	S	S	*	*			trans	-67.6	151.8	-163.9	-50	-86.8	0	0	0	113.1
1089	S	33.4	Very low	33.2	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	80%	0.795	S	S	*	*				-179.2	173	54.4	48.8	0	0	0	0	113.4
1090	S	31.5	Very low	32.1	Very low	113 Å²	113	142 Å²	142	79%	0.79	81%	0.805	S	S	*	*			trans	80.3	92	163.5	73.5	0	0	0	0	120.7
1091	S	29	Very low	31.4	Very low	90 Å²	90	144.5 Å²	144.5	63%	0.629	83%	0.83	S	S	*	*			trans	86.6	145	134.2	-149.5	0	0	0	0	122.1
1092	Y	32.6	Very low	31.2	Very low	226 Å²	226	140.5 Å²	140.5	89%	0.886	83%	0.825	S	S	*	*			trans	68	110.1	166.8	-53.9	-66.9	0	0	0	120.3
1093	G	27	Very low	31	Very low	73 Å²	73	140 Å²	140	75%	0.753	82%	0.824	S	S	*	*			trans	122.7	114.8	130.9	0	0	0	0	0	119.4
1094	L	31.1	Very low	30.7	Very low	169 Å²	169	139.8 Å²	139.8	89%	0.885	82%	0.817	S	S	*	*			trans	57.4	69.4	140.3	-63.9	167.3	0	0	0	119.7
1095	S	29	Very low	30.7	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	81%	0.814	S	S	*	*				29.9	111.9	122.9	60.6	0	0	0	0	120.1
1096	N	29	Very low	30.4	Very low	165 Å²	165	145.5 Å²	145.5	88%	0.882	81%	0.813	S	S	*	*			trans	-148.1	129.3	137.4	-140	-19.9	0	0	0	110.9
1097	R	31.3	Very low	30.4	Very low	233 Å²	233	145.4 Å²	145.4	88%	0.879	81%	0.812	S	S	*	*			trans	-114.9	113.1	-178.9	-83.5	-170.7	179.1	-175.6	1.4	111.7
1098	R	29.4	Very low	29.9	Very low	236 Å²	236	143.4 Å²	143.4	89%	0.891	81%	0.811	S	S	*	*				29.8	115.2	121.7	-57.8	-176.6	-173.8	-177.9	1.7	117
1099	Y	27.7	Very low	29.9	Very low	244 Å²	244	144.3 Å²	144.3	96%	0.957	81%	0.814	S	S	*	*			trans	-71.1	142.7	148	-87.3	-94.5	0	0	0	110.1
1100	A	33	Very low	29.6	Very low	97 Å²	97	144 Å²	144	80%	0.802	81%	0.812	S	S	*	*			trans	-139.5	136.1	167.3	0	0	0	0	0	109
1101	S	29.6	Very low	29.5	Very low	133 Å²	133	149.6 Å²	149.6	93%	0.93	82%	0.818	S	S	*	*			trans	-84	119.8	173.8	50.7	0	0	0	0	110.2
1102	G	30.1	Very low	29.5	Very low	69 Å²	69	153.5 Å²	153.5	71%	0.711	83%	0.826	S	S	*	*			trans	-156.1	102.6	-179.3	0	0	0	0	0	112.5
1103	S	28.5	Very low	29.2	Very low	114 Å²	114	154.6 Å²	154.6	80%	0.797	83%	0.828	S	S	*	*			trans	-6.7	156.1	162.4	50	0	0	0	0	122.3
1104	S	27.9	Very low	29.4	Very low	99 Å²	99	157.1 Å²	157.1	69%	0.692	83%	0.829	S	S	*	*			trans	112.3	118.2	143.1	-32.7	0	0	0	0	118.3
1105	I	30.2	Very low	29.2	Very low	146 Å²	146	153.7 Å²	153.7	75%	0.749	83%	0.825	S	S	*	*			trans	73.6	94.1	139.7	-57.3	165.7	0	0	0	118.9
1106	E	26.7	Very low	29.1	Very low	167 Å²	167	153.2 Å²	153.2	78%	0.78	83%	0.828	S	S	*	*				54.7	163.3	126	-56.7	-167.6	135	0	0	123.4
1107	Q	32.1	Very low	29.2	Very low	190 Å²	190	151.9 Å²	151.9	89%	0.888	82%	0.82	S	S	*	*			trans	63.7	101.6	173.8	-50.8	-177.2	26.8	0	0	114.8
1108	G	27.1	Very low	29	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	82%	0.818	S	S	*	*			cis	114.6	108.8	3.3	0	0	0	0	0	112.3
1109	L	32.1	Very low	28.9	Very low	178 Å²	178	140.7 Å²	140.7	93%	0.932	81%	0.805	S	S	*	*			trans	-167.2	146.5	156.7	-107.3	166.4	0	0	0	108.9
1110	S	25.8	Very low	29	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	79%	0.794	S	S	*	*			trans	-98.1	144	-171.5	48.6	0	0	0	0	112.9
1111	Y	30	Very low	28.6	Very low	230 Å²	230	136.9 Å²	136.9	90%	0.902	79%	0.793	S	S	*	*			trans	-142.8	150.3	155.3	-97.6	-74.3	0	0	0	111.7
1112	H	28.9	Very low	28.6	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.796	78%	0.775	S	S	*	*			trans	-70.3	142.3	-165.1	-73.4	-107.6	0	0	0	114.2
1113	R	26.8	Very low	28.3	Very low	249 Å²	249	137.4 Å²	137.4	94%	0.94	78%	0.776	S	S	*	*			trans	-91.7	138.6	149.4	-84.1	-171.1	176.9	-173.5	0.1	109.9
1114	T	30	Very low	28.4	Very low	127 Å²	127	136.3 Å²	136.3	78%	0.779	76%	0.764	S	S	*	*			trans	-138.7	157.8	167.5	44.2	0	0	0	0	110
1115	A	28.3	Very low	28.3	Very low	96 Å²	96	133 Å²	133	79%	0.793	75%	0.745	S	S	*	*	S	Bend	trans	67.8	100.1	170.6	0	0	0	0	0	119.4
1116	A	27	Very low	28.3	Very low	97 Å²	97	134.3 Å²	134.3	80%	0.802	75%	0.747	S	S	*	*				67.4	70.5	125.7	0	0	0	0	0	121
1117	N	29.8	Very low	28.6	Very low	137 Å²	137	128.9 Å²	128.9	73%	0.733	73%	0.726	S	S	*	*			trans	-94.9	116.3	140.6	-96.8	18.5	0	0	0	109	E1119	N1117-E1119 VanDerWaalsContact C-N 3.3Å; N1117-E1119 PolarHBondContact ND2-OE1 3.08Å; N1117-E1119 HydrophobicContact CB-CG 4.33Å; N1117-E1119 PolarHBondContact O-N 3.4Å
1118	A	27.3	Very low	28.8	Very low	100 Å²	100	121.4 Å²	121.4	83%	0.826	69%	0.694	S	S	*	*			trans	-90.3	65.4	170.8	0	0	0	0	0	110.2	T1120	A1118-T1120 PolarHBondContact O-N 3.05Å
1119	E	28.7	Very low	29.2	Very low	134 Å²	134	123.2 Å²	123.2	63%	0.626	69%	0.694	S	S	*	*			trans	-70.4	96.4	176.1	-78.6	166.2	-144.7	0	0	110.1	N1117 N1121	N1117-E1119 VanDerWaalsContact C-N 3.3Å; N1117-E1119 PolarHBondContact ND2-OE1 3.08Å; N1117-E1119 HydrophobicContact CB-CG 4.33Å; N1117-E1119 PolarHBondContact O-N 3.4Å; E1119-N1121 PolarHBondContact O-N 2.81Å
1120	T	28.8	Very low	29.5	Very low	118 Å²	118	118.1 Å²	118.1	72%	0.724	66%	0.663	S	S	*	*			trans	-72.1	76.8	169.9	55.5	0	0	0	0	109.8	A1118 I1122	A1118-T1120 PolarHBondContact O-N 3.05Å; T1120-I1122 PolarHBondContact O-N 3.39Å
1121	N	25.8	Very low	29.6	Very low	144 Å²	144	118.5 Å²	118.5	77%	0.77	66%	0.663	S	S	*	*			trans	-65.2	75.1	159.6	-82.5	-53	0	0	0	108.7	E1119 S1123	E1119-N1121 PolarHBondContact O-N 2.81Å; N1121-S1123 PolarHBondContact O-N 2.72Å; N1121-S1123 VanDerWaalsContact O-N 3.1Å
1122	I	28	Very low	29.3	Very low	110 Å²	110	113 Å²	113	56%	0.564	66%	0.655	S	S	*	*			trans	-66.1	107.1	165.7	-60.8	177	0	0	0	105.4	T1120 V1124	T1120-I1122 PolarHBondContact O-N 3.39Å; I1122-V1124 PolarHBondContact O-N 3.49Å; I1122-V1124 VanDerWaalsContact O-N 3.14Å
1123	S	24.9	Very low	29.2	Very low	103 Å²	103	109.2 Å²	109.2	72%	0.72	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.6	166.2	46.5	0	0	0	0	107.6	N1121 G1125	N1121-S1123 PolarHBondContact O-N 2.72Å; N1121-S1123 VanDerWaalsContact O-N 3.1Å; S1123-G1125 PolarHBondContact O-N 2.99Å
1124	V	29.2	Very low	29.2	Very low	91 Å²	91	101.5 Å²	101.5	55%	0.552	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-56.1	116	177.4	-175.6	0	0	0	0	106.7	I1122 H1126	I1122-V1124 PolarHBondContact O-N 3.49Å; I1122-V1124 VanDerWaalsContact O-N 3.14Å; V1124-H1126 PolarHBondContact O-N 3.13Å
1125	G	27.5	Very low	29.2	Very low	28 Å²	28	100.6 Å²	100.6	29%	0.289	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-52.1	133.7	-176.5	0	0	0	0	0	109.6	S1123 V1127	S1123-G1125 PolarHBondContact O-N 2.99Å; G1125-V1127 PolarHBondContact O-N 3.13Å
1126	H	29.8	Very low	29.2	Very low	174 Å²	174	103.6 Å²	103.6	81%	0.806	64%	0.637	S	S	*	*			trans	-50.1	107.1	-169.6	-169.4	75.2	0	0	0	109.9	V1124 P1128	V1124-H1126 PolarHBondContact O-N 3.13Å; H1126-P1128 VanDerWaalsContact O-CD 3.27Å; H1126-P1128 VanDerWaalsContact O-N 3.14Å; H1126-P1128 WeakPolarHBondContact O-CD 2.89Å
1127	V	32.1	Very low	29.2	Very low	53 Å²	53	105 Å²	105	32%	0.321	63%	0.631	S	S	.	*			trans	-61.9	118.6	177	178.7	0	0	0	0	105.5	G1125 S1129	G1125-V1127 PolarHBondContact O-N 3.13Å; V1127-S1129 PolarHBondContact O-N 3.37Å
1128	P	37.2	Very low	29.1	Very low	33 Å²	33	103.7 Å²	103.7	21%	0.214	63%	0.633	C	S	.	*			trans	-53.4	135.3	177.4	-24.8	34.3	0	0	0	108.5	Q576 H1126 W1130	Q576-P1128 HydrophobicContact CG-CG 4.18Å; H1126-P1128 VanDerWaalsContact O-CD 3.27Å; H1126-P1128 VanDerWaalsContact O-N 3.14Å; H1126-P1128 WeakPolarHBondContact O-CD 2.89Å; P1128-W1130 VanDerWaalsContact O-CD1 3.32Å; P1128-W1130 PolarHBondContact O-N 3.18Å
1129	S	35.9	Very low	29.3	Very low	114 Å²	114	111.1 Å²	111.1	80%	0.797	64%	0.64	S	S	*	*			trans	-72.5	70.1	176.3	58.3	0	0	0	0	109.7	V1127	V1127-S1129 PolarHBondContact O-N 3.37Å
1130	W	37.1	Very low	29.3	Very low	71 Å²	71	108.5 Å²	108.5	27%	0.269	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-50.2	126.8	168.8	-66.1	108.1	0	0	0	107.6	F248 Q576 P1128	F248-W1130 AromaticContact CZ-CD2 3.98Å; F248-W1130 HydrophobicContact CZ-CD2 3.98Å; F248-W1130 HydrophobicContact CZ-CE3 4.43Å; F248-W1130 HydrophobicContact CZ-CG 4.1Å; Q576-W1130 HydrophobicContact CG-CH2 4.35Å; Q576-W1130 HydrophobicContact CG-CZ2 4.32Å; P1128-W1130 VanDerWaalsContact O-CD1 3.32Å; P1128-W1130 PolarHBondContact O-N 3.18Å
1131	P	27.7	Very low	29.4	Very low	108 Å²	108	107.8 Å²	107.8	70%	0.701	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-58.9	136.3	177.1	24.9	-33.2	0	0	0	108.6
1132	P	25.3	Very low	29.8	Very low	113 Å²	113	109.2 Å²	109.2	73%	0.734	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-58.3	137.8	176.9	25.1	-33.7	0	0	0	109.2	A1134	P1132-A1134 PolarHBondContact O-N 2.79Å; P1132-A1134 VanDerWaalsContact O-N 3.11Å
1133	P	26.8	Very low	29.9	Very low	94 Å²	94	108.9 Å²	108.9	61%	0.61	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.9	-174.3	20.8	-32.6	0	0	0	110.1	S1135	P1133-S1135 PolarHBondContact O-N 3.45Å
1134	A	26.3	Very low	30.3	Very low	87 Å²	87	114.9 Å²	114.9	72%	0.719	68%	0.675	S	S	*	*			trans	-62.4	109.3	-158.2	0	0	0	0	0	112.6	P1132 N1136	P1132-A1134 PolarHBondContact O-N 2.79Å; P1132-A1134 VanDerWaalsContact O-N 3.11Å; A1134-N1136 PolarHBondContact O-N 3.19Å
1135	S	28.8	Very low	30.7	Very low	108 Å²	108	117.2 Å²	117.2	76%	0.755	68%	0.684	S	S	*	*			trans	-72.9	89.1	174.4	60	0	0	0	0	110.3	P1133 N1137	P1133-S1135 PolarHBondContact O-N 3.45Å; S1135-N1137 VanDerWaalsContact C-N 3.33Å; S1135-N1137 PolarHBondContact O-N 2.84Å
1136	N	28.7	Very low	31	Very low	158 Å²	158	124.3 Å²	124.3	85%	0.845	71%	0.707	S	S	*	*			trans	-60	88	173.9	-85.8	-33.1	0	0	0	111.2	A1134	A1134-N1136 PolarHBondContact O-N 3.19Å
1137	N	27.5	Very low	31.2	Very low	126 Å²	126	122 Å²	122	67%	0.674	70%	0.7	S	S	*	*			trans	-150.6	34.5	-175.4	-118.8	-7.5	0	0	0	113.8	S1135	S1135-N1137 VanDerWaalsContact C-N 3.33Å; S1135-N1137 PolarHBondContact O-N 2.84Å
1138	S	28.1	Very low	31.4	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	72%	0.722	S	S	*	*			trans	-155.5	97.5	175.2	55.9	0	0	0	0	113.9
1139	R	30.7	Very low	31.2	Very low	256 Å²	256	133.6 Å²	133.6	97%	0.966	74%	0.744	S	S	*	*			trans	-134.1	89.8	154.7	-82.1	-167.9	172.5	-179.2	-1.7	109.4
1140	G	30.1	Very low	31.2	Very low	78 Å²	78	138.2 Å²	138.2	80%	0.804	75%	0.75	S	S	*	*			trans	-71.5	151	170.9	0	0	0	0	0	111.5
1141	A	29.2	Very low	31.1	Very low	104 Å²	104	143.6 Å²	143.6	86%	0.86	78%	0.775	S	S	*	*			trans	-83.7	141.6	-177	0	0	0	0	0	112.7
1142	I	34.6	Very low	31.4	Very low	174 Å²	174	144.2 Å²	144.2	89%	0.892	77%	0.772	S	S	*	*			trans	-126	146.4	159.4	-61.8	-178.6	0	0	0	107.1
1143	S	30.3	Very low	31.8	Very low	103 Å²	103	148.5 Å²	148.5	72%	0.72	77%	0.774	S	S	*	*			trans	-134	163.3	-167.1	-178.1	0	0	0	0	111.8
1144	R	34.6	Very low	32	Very low	228 Å²	228	149 Å²	149	86%	0.86	78%	0.779	S	S	*	*			trans	79	146.1	-178.9	-48.2	169.3	-179.9	175.1	-0.8	113
1145	N	35.6	Very low	32.4	Very low	141 Å²	141	153.2 Å²	153.2	75%	0.754	79%	0.789	S	S	*	*			cis	-147.5	174.9	2.7	-142.6	-13.6	0	0	0	113.7
1146	K	34.7	Very low	32.5	Very low	177 Å²	177	153.9 Å²	153.9	77%	0.77	79%	0.794	S	S	*	*			trans	-51.7	164.8	173.6	-57.8	167.1	-180	176.6	0	112.7
1147	N	34.9	Very low	32.8	Very low	124 Å²	124	151.4 Å²	151.4	66%	0.663	80%	0.795	S	S	*	*			cis	-171.5	151.1	32.5	-142.4	9.7	0	0	0	111.7
1148	R	35.1	Very low	33	Very low	205 Å²	205	151 Å²	151	77%	0.774	80%	0.802	S	S	*	*			trans	54.2	153.4	150.5	-67.2	-173.5	162.6	166.1	-2.4	120.5
1149	D	34.4	Very low	33.2	Very low	126 Å²	126	151.4 Å²	151.4	67%	0.674	81%	0.805	S	S	*	*			cis	-161.4	137.6	-17	-97.1	-29	0	0	0	106.8
1150	F	35	Very low	33.5	Very low	210 Å²	210	144 Å²	144	92%	0.921	79%	0.792	S	S	*	*			trans	-175.2	162.2	135.2	-122.4	-98.3	0	0	0	112
1151	K	34	Very low	34.1	Very low	185 Å²	185	147.1 Å²	147.1	80%	0.804	80%	0.796	S	S	*	*			trans	-90.1	158.6	176	-59.6	174.7	-175.8	174	0	108.9
1152	D	35.3	Very low	35	Very low	120 Å²	120	146.8 Å²	146.8	64%	0.642	78%	0.783	S	S	*	*				-166.4	165.8	50.2	-144.6	2.6	0	0	0	114.7
1153	R	33.8	Very low	36.2	Very low	203 Å²	203	145.8 Å²	145.8	77%	0.766	77%	0.768	S	S	*	*			trans	54.4	96.3	153.2	-70.7	165.4	-165	-124	-4.4	122.5
1154	S	31.4	Very low	38.4	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	76%	0.758	S	S	*	*				83.7	137.4	113.1	70.8	0	0	0	0	123.5
1155	L	34.5	Very low	40.4	Very low	177 Å²	177	133.6 Å²	133.6	93%	0.927	72%	0.717	S	S	*	*			trans	79.1	134.7	159.1	-68.8	163.4	0	0	0	118.9
1156	S	30.8	Very low	42.1	Very low	121 Å²	121	129.4 Å²	129.4	85%	0.846	71%	0.707	S	S	*	*			trans	-136.6	142.3	-165.7	51.4	0	0	0	0	112
1157	A	35.1	Very low	44.1	Very low	106 Å²	106	124.6 Å²	124.6	88%	0.876	69%	0.689	S	S	*	*			trans	-153.4	139.2	160	0	0	0	0	0	109.2
1158	S	30.6	Very low	46.5	Very low	118 Å²	118	120.2 Å²	120.2	83%	0.825	67%	0.668	S	S	*	*			trans	-92.4	135.9	-179	44.5	0	0	0	0	111.9	S1160	S1158-S1160 PolarHBondContact O-N 2.84Å
1159	S	31.9	Very low	48.7	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	67%	0.669	S	S	*	*			trans	-88.3	93.7	174.6	41.7	0	0	0	0	111.3
1160	S	36.8	Very low	50.9	Low	99 Å²	99	120 Å²	120	69%	0.692	66%	0.663	S	S	*	*			trans	-75.4	132.5	167.6	49.2	0	0	0	0	110.8	S1158 T1162	S1158-S1160 PolarHBondContact O-N 2.84Å; S1160-T1162 PolarHBondContact O-N 2.83Å; S1160-T1162 VanDerWaalsContact O-N 3.13Å
1161	V	42.5	Very low	53.1	Low	145 Å²	145	113.1 Å²	113.1	88%	0.879	64%	0.639	S	S	*	*			trans	-82.6	92.3	-179.5	-178.1	0	0	0	0	109.8	R1163	V1161-R1163 PolarHBondContact O-N 2.97Å
1162	T	50	Low	55.1	Low	96 Å²	96	108 Å²	108	59%	0.589	64%	0.639	S	S	*	*			trans	-67.5	124.1	179.6	-36.8	0	0	0	0	111.2	S1160 P1171	S1160-T1162 PolarHBondContact O-N 2.83Å; S1160-T1162 VanDerWaalsContact O-N 3.13Å; T1162-P1171 HydrophobicContact CG2-CB 3.83Å
1163	R	58.3	Low	57.2	Low	153 Å²	153	104.5 Å²	104.5	58%	0.577	62%	0.618	S	S	*	*			trans	-69.3	135.1	176.3	-78.4	-177.1	170.3	178.6	-4.6	111.7	E257 V1161 P1171	E257-R1163 IonicContact OE1-CZ 2.84Å; E257-R1163 IonicContact OE1-NH1 3.8Å; E257-R1163 PolarHBondContact OE1-NH1 3.06Å; E257-R1163 IonicContact OE1-NH2 3.74Å; E257-R1163 PolarHBondContact OE1-NH2 3.2Å; E257-R1163 IonicContact OE2-NH1 3.64Å; V1161-R1163 PolarHBondContact O-N 2.97Å; R1163-P1171 WeakPolarHBondContact O-CA 3.43Å
1164	C	76.3	Confident	59.4	Low	75 Å²	75	98.6 Å²	98.6	51%	0.507	61%	0.605	S	S	.	*	B	Isolated β-bridge	trans	-104.1	154	176.2	-72.5	0	0	0	0	113	G1166 R1169 Q1170	C1164-G1166 PolarHBondContact O-N 3.2Å; C1164-R1169 VanDerWaalsContact CB-O 3.26Å; C1164-R1169 WeakPolarHBondContact CB-O 3.34Å; C1164-R1169 PolarHBondContact SG-O 3.31Å; C1164-Q1170 WeakPolarHBondContact CA-O 3.36Å
1165	C	77.7	Confident	61.7	Low	1 Å²	1	99.6 Å²	99.6	1%	0.007	59%	0.593	C	S	.	*			trans	-66.9	126.1	179.7	178.4	0	0	0	0	112.5	L1167 R1169 Q1170 H1173 C1178	C1165-L1167 PolarHBondContact O-N 3.13Å; C1165-R1169 WeakPolarHBondContact O-CA 3.34Å; C1165-R1169 PolarHBondContact O-N 2.98Å; C1165-Q1170 PolarHBondContact N-O 3.32Å; C1165-Q1170 WeakPolarHBondContact CB-O 3.22Å; C1165-H1173 WeakPolarHBondContact CA-O 3.36Å; C1165-H1173 PolarHBondContact SG-NE2 2.79Å; C1165-H1173 PolarHBondContact SG-CD2 3.39Å; C1165-H1173 WeakPolarHBondContact CB-NE2 3.36Å; C1165-H1173 WeakPolarHBondContact CB-O 3.25Å; C1165-C1178 VanDerWaalsContact SG-SG 3.69Å
1166	G	70.7	Confident	63.7	Low	52 Å²	52	98.1 Å²	98.1	54%	0.536	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	29.1	173.8	0	0	0	0	0	115.6	C1164 R1175	C1164-G1166 PolarHBondContact O-N 3.2Å; G1166-R1175 PolarHBondContact O-NH1 3.44Å
1167	L	76.6	Confident	65.9	Low	76 Å²	76	98.2 Å²	98.2	40%	0.398	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.7	-57.2	172.7	-135.1	172	0	0	0	110.4	C1165 R1175 C1178	C1165-L1167 PolarHBondContact O-N 3.13Å; L1167-R1175 HydrophobicContact CB-CG 4.09Å; L1167-R1175 HydrophobicContact CD1-CG 3.99Å; L1167-R1175 HydrophobicContact CG-CG 4.14Å; L1167-C1178 HydrophobicContact CD1-CB 4.08Å; L1167-C1178 HydrophobicContact CB-CB 4.1Å
1168	C	85.5	Confident	68	Low	32 Å²	32	93.5 Å²	93.5	22%	0.216	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	0.4	-178.9	70.4	0	0	0	0	115.5	Q1170 H1173 C1178 H1180	C1168-Q1170 PolarHBondContact O-N 3.05Å; C1168-H1173 VanDerWaalsContact SG-CE1 3.58Å; C1168-H1173 PolarHBondContact SG-NE2 3.25Å; C1168-C1178 PolarHBondContact SG-SG 3.42Å; C1168-H1180 HydrophobicContact CB-CB 4.44Å; C1168-H1180 VanDerWaalsContact CB-CD2 3.49Å; C1168-H1180 WeakPolarHBondContact CB-CD2 3.39Å
1169	R	81.4	Confident	70.2	Confident	213 Å²	213	92.9 Å²	92.9	80%	0.804	52%	0.521	S	S	*	.			trans	57.6	11.3	-177.4	-57.2	-168.8	-178.6	-141	1.8	117	C1164 C1165	C1164-R1169 VanDerWaalsContact CB-O 3.26Å; C1164-R1169 WeakPolarHBondContact CB-O 3.34Å; C1164-R1169 PolarHBondContact SG-O 3.31Å; C1165-R1169 WeakPolarHBondContact O-CA 3.34Å; C1165-R1169 PolarHBondContact O-N 2.98Å
1170	Q	79.5	Confident	72.2	Confident	115 Å²	115	92.8 Å²	92.8	54%	0.537	51%	0.507	S	S	.	.			trans	-77.7	146.8	170.2	-64.2	-63.7	-20.5	0	0	111.6	C1164 C1165 C1168	C1164-Q1170 WeakPolarHBondContact CA-O 3.36Å; C1165-Q1170 PolarHBondContact N-O 3.32Å; C1165-Q1170 WeakPolarHBondContact CB-O 3.22Å; C1168-Q1170 PolarHBondContact O-N 3.05Å
1171	P	81.7	Confident	73.6	Confident	64 Å²	64	90.7 Å²	90.7	42%	0.416	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-70.3	170.9	175.2	29.9	-34.9	0	0	0	113	T1162 R1163 H1173	T1162-P1171 HydrophobicContact CG2-CB 3.83Å; R1163-P1171 WeakPolarHBondContact O-CA 3.43Å; P1171-H1173 PolarHBondContact O-N 3.47Å; P1171-H1173 PolarHBondContact O-ND1 2.73Å
1172	G	76.6	Confident	74.3	Confident	79 Å²	79	90.5 Å²	90.5	81%	0.814	49%	0.492	S	S	*	.	S	Bend	trans	84.3	-2.7	167.8	0	0	0	0	0	116.6
1173	H	80	Confident	73.8	Confident	45 Å²	45	95.8 Å²	95.8	21%	0.208	53%	0.525	C	S	.	.			trans	-152.4	162.5	175.4	66	-85.5	0	0	0	113	C1165 C1168 P1171 R1177 C1178 P1179	C1165-H1173 WeakPolarHBondContact CA-O 3.36Å; C1165-H1173 PolarHBondContact SG-NE2 2.79Å; C1165-H1173 PolarHBondContact SG-CD2 3.39Å; C1165-H1173 WeakPolarHBondContact CB-NE2 3.36Å; C1165-H1173 WeakPolarHBondContact CB-O 3.25Å; C1168-H1173 VanDerWaalsContact SG-CE1 3.58Å; C1168-H1173 PolarHBondContact SG-NE2 3.25Å; P1171-H1173 PolarHBondContact O-N 3.47Å; P1171-H1173 PolarHBondContact O-ND1 2.73Å; H1173-R1177 HydrophobicContact CB-CB 4.43Å; H1173-R1177 PolarHBondContact CD2-O 2.68Å; H1173-C1178 VanDerWaalsContact CD2-CA 3.48Å; H1173-C1178 WeakPolarHBondContact CD2-CA 3.41Å; H1173-P1179 WeakPolarHBondContact NE2-CD 3.43Å
1174	T	80.4	Confident	74.6	Confident	80 Å²	80	93 Å²	93	49%	0.491	52%	0.522	S	S	.	.			trans	-96.3	166.9	178.2	59.5	0	0	0	0	111.8	N1176 R1177 C1178	T1174-N1176 PolarHBondContact O-N 3.06Å; T1174-N1176 VanDerWaalsContact O-N 3.1Å; T1174-R1177 CarbonylContact O-C 3.59Å; T1174-R1177 PolarHBondContact O-N 3.18Å; T1174-C1178 PolarHBondContact O-N 3.04Å
1175	R	78.4	Confident	74.5	Confident	124 Å²	124	93.9 Å²	93.9	47%	0.468	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-49	-38.9	175.6	-174.9	176.8	176.2	104.7	-8.3	112.1	G1166 L1167 R1177 C1178	G1166-R1175 PolarHBondContact O-NH1 3.44Å; L1167-R1175 HydrophobicContact CB-CG 4.09Å; L1167-R1175 HydrophobicContact CD1-CG 3.99Å; L1167-R1175 HydrophobicContact CG-CG 4.14Å; R1175-R1177 VanDerWaalsContact C-N 3.28Å; R1175-R1177 PolarHBondContact O-N 2.96Å; R1175-C1178 WeakPolarHBondContact O-CB 3.34Å; R1175-C1178 PolarHBondContact O-N 3.16Å
1176	N	76.9	Confident	74.3	Confident	146 Å²	146	99.1 Å²	99.1	78%	0.781	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-71.6	-15.8	-178.8	-42.3	29.8	0	0	0	114.1	T1174	T1174-N1176 PolarHBondContact O-N 3.06Å; T1174-N1176 VanDerWaalsContact O-N 3.1Å
1177	R	76.7	Confident	74.5	Confident	124 Å²	124	101.8 Å²	101.8	47%	0.468	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-123.8	29.1	179.7	-65.5	-172.3	176.2	-141.8	-2.6	110.8	S963 D965 H1173 T1174 R1175	S963-R1177 PolarHBondContact O-NH1 3.38Å; S963-R1177 PolarHBondContact O-NH2 3Å; D965-R1177 IonicContact OD1-NH2 3.32Å; D965-R1177 PolarHBondContact OD1-NH2 2.94Å; H1173-R1177 HydrophobicContact CB-CB 4.43Å; H1173-R1177 PolarHBondContact CD2-O 2.68Å; T1174-R1177 CarbonylContact O-C 3.59Å; T1174-R1177 PolarHBondContact O-N 3.18Å; R1175-R1177 VanDerWaalsContact C-N 3.28Å; R1175-R1177 PolarHBondContact O-N 2.96Å
1178	C	79.2	Confident	74.4	Confident	6 Å²	6	103.4 Å²	103.4	4%	0.041	56%	0.562	C	S	.	*			trans	-81.7	127.3	-177.2	-169	0	0	0	0	112	C1165 L1167 C1168 H1173 T1174 R1175 H1180 S1181	C1165-C1178 VanDerWaalsContact SG-SG 3.69Å; L1167-C1178 HydrophobicContact CD1-CB 4.08Å; L1167-C1178 HydrophobicContact CB-CB 4.1Å; C1168-C1178 PolarHBondContact SG-SG 3.42Å; H1173-C1178 VanDerWaalsContact CD2-CA 3.48Å; H1173-C1178 WeakPolarHBondContact CD2-CA 3.41Å; T1174-C1178 PolarHBondContact O-N 3.04Å; R1175-C1178 WeakPolarHBondContact O-CB 3.34Å; R1175-C1178 PolarHBondContact O-N 3.16Å; C1178-H1180 PolarHBondContact O-N 2.88Å; C1178-H1180 PolarHBondContact SG-N 3.05Å; C1178-S1181 PolarHBondContact O-N 3.24Å; C1178-S1181 PolarHBondContact O-OG 3.06Å
1179	P	77.9	Confident	73.6	Confident	105 Å²	105	108.2 Å²	108.2	68%	0.682	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-7.6	174.9	29.1	-34.6	0	0	0	113.3	H1173	H1173-P1179 WeakPolarHBondContact NE2-CD 3.43Å
1180	H	74.1	Confident	73.1	Confident	118 Å²	118	100.7 Å²	100.7	55%	0.546	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.4	5.5	174.1	-54.7	-80.7	0	0	0	113.6	C1168 C1178 T1182	C1168-H1180 HydrophobicContact CB-CB 4.44Å; C1168-H1180 VanDerWaalsContact CB-CD2 3.49Å; C1168-H1180 WeakPolarHBondContact CB-CD2 3.39Å; C1178-H1180 PolarHBondContact O-N 2.88Å; C1178-H1180 PolarHBondContact SG-N 3.05Å; H1180-T1182 PolarHBondContact O-N 3.33Å
1181	S	65.3	Low	72.6	Confident	55 Å²	55	99.6 Å²	99.6	39%	0.385	57%	0.572	S	S	.	*			trans	-78.3	98.7	171	65.1	0	0	0	0	110.3	C1178	C1178-S1181 PolarHBondContact O-N 3.24Å; C1178-S1181 PolarHBondContact O-OG 3.06Å
1182	T	57.6	Low	71.8	Confident	141 Å²	141	102.6 Å²	102.6	87%	0.865	59%	0.585	S	S	*	*			trans	-62.3	132.1	158.3	46.4	0	0	0	0	109.2	H1180	H1180-T1182 PolarHBondContact O-N 3.33Å
1183	T	38.8	Very low	71.4	Confident	208 Å²	208	104.7 Å²	104.7	100%	1.276	57%	0.565	S	S	*	*			trans	-76	0	-166.8	56	0	0	0	0	115.5

Retrieved 1,183 of 1,183 residues in 1173.1 ms (Link to these results)

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