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Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1

Subunit of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). All subunits are required for a maximal enzyme activity.

AlphaFold DB , UniProt , Accession A0A060W2P7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110527949, Length 602 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	35	Very low	250 Å²	250	152.9 Å²	152.9	100%	1.232	83%	0.834	S	S	*	*				0	123.9	0	-113	171.6	-176.4	0	0	107.8
2	A	34.7	Very low	35.2	Very low	100 Å²	100	153.7 Å²	153.7	83%	0.826	83%	0.834	S	S	*	*			trans	31.1	110.1	166.1	0	0	0	0	0	119.5
3	R	35.3	Very low	35	Very low	232 Å²	232	158.5 Å²	158.5	88%	0.875	84%	0.835	S	S	*	*				66.6	120.7	74.8	-95	-170.1	174.2	175.5	-1.3	116.9
4	N	30.6	Very low	34.9	Very low	143 Å²	143	157.2 Å²	157.2	77%	0.765	83%	0.828	S	S	*	*			trans	100.6	122.2	137.3	-67.2	-1.9	0	0	0	122.5
5	I	33.5	Very low	34.9	Very low	156 Å²	156	157.1 Å²	157.1	80%	0.8	83%	0.827	S	S	*	*			trans	-56.8	171.9	157.6	-62	159	0	0	0	111.3
6	P	45.4	Very low	34.8	Very low	107 Å²	107	155.5 Å²	155.5	70%	0.695	82%	0.818	S	S	*	*			cis	-140.4	177.4	7.7	15.8	13.2	0	0	0	119.6
7	F	35.7	Very low	34.8	Very low	192 Å²	192	154.5 Å²	154.5	84%	0.842	81%	0.812	S	S	*	*			trans	5	136.9	139.6	-83.1	-101.2	0	0	0	120.3
8	F	30.5	Very low	34.7	Very low	213 Å²	213	151.7 Å²	151.7	93%	0.934	80%	0.802	S	S	*	*			trans	-150.7	145.1	137.6	-110.1	-80.6	0	0	0	112.8
9	A	31.9	Very low	34.7	Very low	90 Å²	90	149.9 Å²	149.9	74%	0.744	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.5	151.1	-168.6	0	0	0	0	0	115.2
10	A	32.3	Very low	34.5	Very low	97 Å²	97	149.1 Å²	149.1	80%	0.802	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-89.7	128.3	164.6	0	0	0	0	0	110
11	P	37	Very low	34.3	Very low	102 Å²	102	147.1 Å²	147.1	66%	0.662	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-90.2	127.6	167.2	32.6	-26.2	0	0	0	110.3	Y13	P11-Y13 HydrophobicContact CG-CE2 4.28Å; P11-Y13 PolarHBondContact O-N 2.74Å
12	I	37.7	Very low	34	Very low	162 Å²	162	145.1 Å²	145.1	83%	0.831	77%	0.77	S	S	*	*			trans	-64.2	111.1	163.6	-67.8	163.1	0	0	0	107.2	L14	I12-L14 PolarHBondContact O-N 2.63Å
13	Y	32.3	Very low	34	Very low	216 Å²	216	151.7 Å²	151.7	85%	0.847	77%	0.773	S	S	*	*			trans	-84	103.6	166.6	-92.4	-84.5	0	0	0	109.1	P11 L15	P11-Y13 HydrophobicContact CG-CE2 4.28Å; P11-Y13 PolarHBondContact O-N 2.74Å; Y13-L15 PolarHBondContact O-N 3.29Å
14	L	33.7	Very low	34.3	Very low	141 Å²	141	143.3 Å²	143.3	74%	0.738	75%	0.748	S	S	*	*			trans	-61.1	107.3	165.7	-166.5	82.6	0	0	0	108.3	I12 L16	I12-L14 PolarHBondContact O-N 2.63Å; L14-L16 HydrophobicContact CD2-CD1 4.31Å; L14-L16 PolarHBondContact O-N 2.65Å
15	L	34.3	Very low	34.9	Very low	155 Å²	155	140.2 Å²	140.2	81%	0.812	74%	0.742	S	S	*	*			trans	-74.4	91.8	173	-155.9	103.5	0	0	0	108.2	Y13 I17	Y13-L15 PolarHBondContact O-N 3.29Å; L15-I17 HydrophobicContact CD2-CG1 4.2Å; L15-I17 PolarHBondContact O-N 2.87Å; L15-I17 VanDerWaalsContact O-N 3.11Å
16	L	33.3	Very low	35.9	Very low	132 Å²	132	134.7 Å²	134.7	69%	0.691	72%	0.719	S	S	*	*			trans	-68.5	101	170.2	-126.1	135.8	0	0	0	107.4	L14 T18	L14-L16 HydrophobicContact CD2-CD1 4.31Å; L14-L16 PolarHBondContact O-N 2.65Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 HydrophobicContact CD2-CG2 4.43Å; L16-T18 PolarHBondContact O-N 3.17Å
17	I	35.5	Very low	36.7	Very low	139 Å²	139	133.8 Å²	133.8	71%	0.713	71%	0.709	S	S	*	*			trans	-70.4	92.8	168.4	-63.8	173.3	0	0	0	106.3	L15 V19	L15-I17 HydrophobicContact CD2-CG1 4.2Å; L15-I17 PolarHBondContact O-N 2.87Å; L15-I17 VanDerWaalsContact O-N 3.11Å; I17-V19 PolarHBondContact O-N 3.23Å
18	T	32.4	Very low	39	Very low	103 Å²	103	125.8 Å²	125.8	63%	0.632	68%	0.68	S	S	*	*			trans	-70	105.8	164.3	36.9	0	0	0	0	107.8	L16 L20	L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 HydrophobicContact CD2-CG2 4.43Å; L16-T18 PolarHBondContact O-N 3.17Å; T18-L20 PolarHBondContact O-N 3.42Å
19	V	34.1	Very low	42	Very low	119 Å²	119	115.7 Å²	115.7	72%	0.721	64%	0.636	S	S	*	*			trans	-61	101.7	163.5	175.1	0	0	0	0	106.7	I17 C21	I17-V19 PolarHBondContact O-N 3.23Å; V19-C21 VanDerWaalsContact C-N 3.31Å; V19-C21 PolarHBondContact O-N 2.86Å
20	L	30.9	Very low	45	Very low	133 Å²	133	112.5 Å²	112.5	70%	0.696	61%	0.607	S	S	*	*			trans	-68.5	93.7	167.4	-117.6	92	0	0	0	107	T18 Y22	T18-L20 PolarHBondContact O-N 3.42Å; L20-Y22 PolarHBondContact O-N 2.85Å; L20-Y22 VanDerWaalsContact O-N 3.08Å
21	C	30.2	Very low	48.1	Very low	107 Å²	107	108 Å²	108	72%	0.723	57%	0.57	S	S	*	*			trans	-62.4	107.9	158.7	-74.3	0	0	0	0	106.9	V19 R23	V19-C21 VanDerWaalsContact C-N 3.31Å; V19-C21 PolarHBondContact O-N 2.86Å; C21-R23 PolarHBondContact O-N 3.35Å
22	Y	32.1	Very low	50.9	Low	209 Å²	209	104.5 Å²	104.5	82%	0.82	55%	0.545	S	S	*	.			trans	-58.1	106.3	168.2	-98.4	-96.9	0	0	0	108.2	L20 V24	L20-Y22 PolarHBondContact O-N 2.85Å; L20-Y22 VanDerWaalsContact O-N 3.08Å; Y22-V24 VanDerWaalsContact C-N 3.32Å; Y22-V24 PolarHBondContact O-N 3.41Å
23	R	34.5	Very low	53.7	Low	238 Å²	238	99.5 Å²	99.5	90%	0.898	52%	0.518	S	S	*	.			trans	-67.2	96.7	162.1	-77.1	-168.1	176.8	-167.2	-0.4	106.7	C21 A25	C21-R23 PolarHBondContact O-N 3.35Å; R23-A25 PolarHBondContact O-N 2.91Å
24	V	42.3	Very low	56.8	Low	55 Å²	55	89.2 Å²	89.2	33%	0.333	48%	0.477	S	S	.	.			trans	-54.1	126.1	146.6	176.7	0	0	0	0	104.6	Y22 A26 I100 F204	Y22-V24 VanDerWaalsContact C-N 3.32Å; Y22-V24 PolarHBondContact O-N 3.41Å; V24-A26 PolarHBondContact O-N 2.77Å; V24-I100 HydrophobicContact CG1-CG2 4.11Å; V24-F204 HydrophobicContact CG1-CE2 4.33Å; V24-F204 HydrophobicContact CG2-CE2 4.27Å
25	A	42.5	Very low	59.9	Low	79 Å²	79	86.9 Å²	86.9	65%	0.653	46%	0.461	S	S	*	.			trans	-62.8	82	-177.3	0	0	0	0	0	110	R23 D27	R23-A25 PolarHBondContact O-N 2.91Å; A25-D27 PolarHBondContact O-N 2.82Å
26	A	54.3	Low	62.9	Low	39 Å²	39	80 Å²	80	32%	0.322	43%	0.425	S	S	.	.			trans	-71.4	110.6	152.5	0	0	0	0	0	104.1	V24 G28 Y161	V24-A26 PolarHBondContact O-N 2.77Å; A26-G28 PolarHBondContact O-N 3.22Å; A26-Y161 HydrophobicContact CB-CD1 4.01Å; A26-Y161 HydrophobicContact CB-CE1 4.36Å
27	D	63.5	Low	66	Low	88 Å²	88	76.5 Å²	76.5	47%	0.471	41%	0.409	S	S	.	.			trans	-64.1	44.4	173.7	-73.9	-28.3	0	0	0	111.4	A25 L29 V61	A25-D27 PolarHBondContact O-N 2.82Å; D27-L29 PolarHBondContact O-N 2.93Å; D27-V61 HydrophobicContact CB-CG2 3.98Å
28	G	82.9	Confident	69	Low	24 Å²	24	70 Å²	70	25%	0.247	38%	0.376	C	S	.	.	S	Bend	trans	64.4	10.6	-169.7	0	0	0	0	0	114.9	A26 Q56	A26-G28 PolarHBondContact O-N 3.22Å; G28-Q56 CarbonylContact O-C 3.59Å; G28-Q56 VanDerWaalsContact O-CA 3.32Å; G28-Q56 WeakPolarHBondContact O-CA 3.36Å; G28-Q56 VanDerWaalsContact O-CB 3.3Å; G28-Q56 WeakPolarHBondContact O-CB 3.31Å; G28-Q56 PolarHBondContact O-N 2.87Å
29	L	93.6	Very high	72.2	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.3	176	-69.4	-178.9	0	0	0	111.6	D27 L53 S54 N55 V61 F64 L116 Y161	D27-L29 PolarHBondContact O-N 2.93Å; L29-L53 HydrophobicContact CB-CD1 4.22Å; L29-L53 HydrophobicContact CD1-CD1 4.47Å; L29-L53 HydrophobicContact CD1-CD2 4.37Å; L29-L53 HydrophobicContact CD2-CD1 4.35Å; L29-L53 HydrophobicContact CD2-CD2 4.25Å; L29-L53 HydrophobicContact CD2-CG 4.19Å; L29-S54 WeakPolarHBondContact CA-O 3.1Å; L29-N55 HydrophobicContact CD2-CB 4.05Å; L29-V61 HydrophobicContact CD1-CG1 4.09Å; L29-V61 HydrophobicContact CD2-CB 4.46Å; L29-V61 HydrophobicContact CD2-CG2 4.39Å; L29-F64 HydrophobicContact CD1-CB 3.81Å; L29-L116 HydrophobicContact CD2-CD2 4.2Å; L29-Y161 HydrophobicContact CB-CD1 3.68Å; L29-Y161 HydrophobicContact CB-CE1 3.67Å; L29-Y161 HydrophobicContact CB-CG 4.26Å; L29-Y161 HydrophobicContact CD1-CE1 3.92Å; L29-Y161 HydrophobicContact CD1-CE2 4.42Å; L29-Y161 HydrophobicContact CG-CE1 4.37Å
30	V	95.4	Very high	75.2	Confident	22 Å²	22	60.9 Å²	60.9	13%	0.133	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137	179.9	180	0	0	0	0	109.3	E32 S54 Q56 P162 R164	V30-E32 PolarHBondContact O-N 3.12Å; V30-S54 PolarHBondContact N-O 3.48Å; V30-S54 PolarHBondContact O-N 3.07Å; V30-Q56 HydrophobicContact CB-CG 4.49Å; V30-Q56 HydrophobicContact CG2-CB 4.33Å; V30-Q56 HydrophobicContact CG2-CG 4.1Å; V30-P162 HydrophobicContact CG1-CG 4.41Å; V30-P162 HydrophobicContact CG2-CG 4.16Å; V30-R164 HydrophobicContact CG1-CG 4.2Å
31	N	96.6	Very high	78.4	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	103.7	169.6	-55	-29.4	0	0	0	108.2	V34 I51 S159 P162 T163 R164	N31-V34 HydrophobicContact CB-CG2 3.82Å; N31-I51 HydrophobicContact CB-CG2 4.14Å; N31-I51 WeakPolarHBondContact OD1-CG2 3.46Å; N31-S159 PolarHBondContact ND2-OG 3.04Å; N31-S159 VanDerWaalsContact ND2-OG 3.15Å; N31-P162 PolarHBondContact N-O 2.98Å; N31-T163 HydrophobicContact CB-CG2 4.06Å; N31-T163 WeakPolarHBondContact CB-OG1 3.42Å; N31-T163 PolarHBondContact ND2-OG1 2.83Å; N31-T163 CarbonylContact O-C 3.53Å; N31-T163 WeakPolarHBondContact O-CA 2.98Å; N31-R164 PolarHBondContact O-N 2.78Å
32	E	96.1	Very high	81.5	Confident	28 Å²	28	51.5 Å²	51.5	13%	0.131	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-42.6	-179.6	-74	-86.5	-151.8	0	0	111.5	V30 L52 K121 R164 S165	V30-E32 PolarHBondContact O-N 3.12Å; E32-L52 HydrophobicContact CB-CB 4.43Å; E32-L52 HydrophobicContact CB-CD2 4.03Å; E32-L52 HydrophobicContact CB-CG 4.18Å; E32-L52 PolarHBondContact N-O 2.94Å; E32-K121 IonicContact OE1-NZ 3.67Å; E32-K121 PolarHBondContact OE1-NZ 2.8Å; E32-K121 VanDerWaalsContact OE1-NZ 3.15Å; E32-R164 VanDerWaalsContact CD-NH1 3.33Å; E32-R164 IonicContact OE1-NH1 3.69Å; E32-R164 PolarHBondContact OE1-NH1 2.74Å; E32-R164 WeakPolarHBondContact OE2-CD 3.35Å; E32-R164 IonicContact OE2-CZ 3.47Å; E32-R164 IonicContact OE2-NE 3.72Å; E32-R164 IonicContact OE2-NH1 2.64Å; E32-R164 PolarHBondContact OE2-NH1 3.1Å; E32-S165 PolarHBondContact O-N 3.23Å
33	E	97.4	Very high	84.6	Confident	57 Å²	57	42 Å²	42	27%	0.266	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	131	-179.4	-174.6	-172.2	-154.5	0	0	108.9	K35 L52 R123 S165	E33-K35 HydrophobicContact CG-CG 4.49Å; E33-K35 WeakPolarHBondContact OE1-CE 3.4Å; E33-K35 IonicContact OE1-NZ 3.73Å; E33-L52 HydrophobicContact CB-CB 4Å; E33-L52 HydrophobicContact CB-CD2 4.34Å; E33-L52 PolarHBondContact O-N 3.36Å; E33-R123 IonicContact OE2-CZ 3.53Å; E33-R123 IonicContact OE2-NH1 3.5Å; E33-R123 IonicContact OE2-NH2 3.31Å; E33-R123 PolarHBondContact OE2-NH2 3.42Å; E33-S165 CarbonylContact C-O 3.6Å; E33-S165 WeakPolarHBondContact CA-O 3.4Å
34	V	97.9	Very high	87.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.9	172.8	176.3	0	0	0	0	108.8	N31 R36 E50 I51 L157 T163 S165 Q166 T167	N31-V34 HydrophobicContact CB-CG2 3.82Å; V34-R36 HydrophobicContact CG1-CB 4.43Å; V34-E50 WeakPolarHBondContact CA-O 3.26Å; V34-I51 HydrophobicContact CG2-CG1 4.38Å; V34-I51 HydrophobicContact CG2-CG2 4.31Å; V34-L157 HydrophobicContact CB-CD2 4.48Å; V34-L157 HydrophobicContact CG1-CB 4.2Å; V34-L157 HydrophobicContact CG1-CD2 3.8Å; V34-L157 HydrophobicContact CG1-CG 4.49Å; V34-L157 HydrophobicContact CG2-CD2 3.85Å; V34-T163 HydrophobicContact CB-CG2 4.13Å; V34-T163 HydrophobicContact CG2-CG2 3.58Å; V34-S165 PolarHBondContact N-O 3.11Å; V34-Q166 HydrophobicContact CB-CB 4.3Å; V34-Q166 HydrophobicContact CB-CG 4.1Å; V34-Q166 HydrophobicContact CG1-CG 4.09Å; V34-Q166 WeakPolarHBondContact O-CA 3.28Å; V34-T167 PolarHBondContact O-N 2.83Å
35	K	98	Very high	90.3	Very high	92 Å²	92	28.2 Å²	28.2	40%	0.4	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.3	168.6	-61.8	-178	-174.1	176.4	0	108.2	E33 A49 E50	E33-K35 HydrophobicContact CG-CG 4.49Å; E33-K35 WeakPolarHBondContact OE1-CE 3.4Å; E33-K35 IonicContact OE1-NZ 3.73Å; K35-A49 WeakPolarHBondContact O-CA 3.2Å; K35-E50 HydrophobicContact CB-CB 4.35Å; K35-E50 PolarHBondContact N-O 3.02Å; K35-E50 PolarHBondContact O-N 3.25Å
36	R	97.9	Very high	92.9	Very high	11 Å²	11	26.8 Å²	26.8	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.6	-178.4	-172.4	175.6	64.2	161.1	5.6	110.5	V34 V38 I47 T48 A49 N154 H155 Y156 T167 T168 R169	V34-R36 HydrophobicContact CG1-CB 4.43Å; R36-V38 HydrophobicContact CG-CG2 4.37Å; R36-I47 HydrophobicContact CG-CG2 3.92Å; R36-T48 CarbonylContact C-O 3.49Å; R36-T48 WeakPolarHBondContact CA-O 3.31Å; R36-A49 HydrophobicContact CG-CB 4.42Å; R36-N154 PolarHBondContact NH1-O 3.22Å; R36-N154 VanDerWaalsContact NH1-O 3.1Å; R36-N154 PolarHBondContact NH2-O 3.27Å; R36-H155 PolarHBondContact NH2-O 3.41Å; R36-Y156 PolarHBondContact NH1-O 2.68Å; R36-T167 PolarHBondContact N-O 2.93Å; R36-T168 PolarHBondContact NE-OG1 3.35Å; R36-T168 VanDerWaalsContact NE-OG1 3.11Å; R36-T168 PolarHBondContact NH2-OG1 3.04Å; R36-T168 CarbonylContact O-C 3.57Å; R36-T168 VanDerWaalsContact O-CA 3.24Å; R36-T168 WeakPolarHBondContact O-CA 3.31Å; R36-R169 PolarHBondContact O-N 3.33Å
37	T	98.3	Very high	95	Very high	59 Å²	59	25.9 Å²	25.9	36%	0.362	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.6	171.7	-58.2	0	0	0	0	108.5	I47 T48 R169	T37-I47 CarbonylContact O-C 3.59Å; T37-I47 WeakPolarHBondContact O-CA 3.44Å; T37-T48 PolarHBondContact N-O 3.04Å; T37-T48 PolarHBondContact O-N 3.21Å; T37-R169 CarbonylContact C-O 3.58Å; T37-R169 VanDerWaalsContact CA-O 3.28Å; T37-R169 WeakPolarHBondContact CA-O 3.39Å
38	V	98.3	Very high	96.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	102	174.2	-178.1	0	0	0	0	106.8	R36 L40 I47 F151 T168 R169 V170 R171	R36-V38 HydrophobicContact CG-CG2 4.37Å; V38-L40 HydrophobicContact CG1-CD1 4.34Å; V38-L40 HydrophobicContact CG1-CD2 3.61Å; V38-L40 HydrophobicContact CG1-CG 3.88Å; V38-I47 HydrophobicContact CG1-CG1 4.22Å; V38-I47 HydrophobicContact CG2-CG1 4.29Å; V38-I47 HydrophobicContact CG2-CG2 4.33Å; V38-F151 HydrophobicContact CG1-CE1 4.01Å; V38-F151 HydrophobicContact CG1-CZ 4.18Å; V38-T168 HydrophobicContact CG2-CG2 4.21Å; V38-R169 PolarHBondContact N-O 2.97Å; V38-V170 HydrophobicContact CB-CG1 4.49Å; V38-V170 HydrophobicContact CB-CG2 4.34Å; V38-V170 CarbonylContact O-C 3.57Å; V38-V170 VanDerWaalsContact O-CA 3.32Å; V38-V170 WeakPolarHBondContact O-CA 3.32Å; V38-R171 PolarHBondContact O-N 2.78Å
39	D	98.4	Very high	97.3	Very high	30 Å²	30	22.7 Å²	22.7	16%	0.16	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.9	177.5	-162.2	-23.4	0	0	0	110.1	S41 K46 R171	D39-S41 WeakPolarHBondContact OD1-CB 3.46Å; D39-S41 PolarHBondContact OD1-N 3.37Å; D39-S41 PolarHBondContact OD1-OG 3.2Å; D39-K46 HydrophobicContact CB-CB 4.35Å; D39-K46 PolarHBondContact N-O 2.65Å; D39-K46 PolarHBondContact O-N 2.86Å; D39-R171 WeakPolarHBondContact OD2-CD 3.42Å; D39-R171 IonicContact OD2-CZ 2.87Å; D39-R171 IonicContact OD2-NE 3.99Å; D39-R171 IonicContact OD2-NH1 3.42Å; D39-R171 PolarHBondContact OD2-NH1 3.01Å
40	L	98.2	Very high	97.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	24.1	179.2	-48.9	178	0	0	0	110.9	V38 T42 A45 L134 F151 V170 R171 L172 Y213	V38-L40 HydrophobicContact CG1-CD1 4.34Å; V38-L40 HydrophobicContact CG1-CD2 3.61Å; V38-L40 HydrophobicContact CG1-CG 3.88Å; L40-T42 VanDerWaalsContact C-N 3.3Å; L40-A45 HydrophobicContact CD2-CB 3.47Å; L40-A45 VanDerWaalsContact CD2-CB 3.47Å; L40-L134 HydrophobicContact CD2-CD2 4.32Å; L40-F151 HydrophobicContact CD1-CB 3.68Å; L40-F151 HydrophobicContact CD1-CD1 3.64Å; L40-F151 HydrophobicContact CD1-CD2 4.42Å; L40-F151 HydrophobicContact CD1-CE1 4.39Å; L40-F151 HydrophobicContact CD1-CG 3.65Å; L40-F151 HydrophobicContact CD2-CD1 4.2Å; L40-F151 HydrophobicContact CD2-CD2 3.85Å; L40-F151 HydrophobicContact CD2-CE1 4.39Å; L40-F151 HydrophobicContact CD2-CE2 4.06Å; L40-F151 HydrophobicContact CD2-CG 3.93Å; L40-F151 HydrophobicContact CD2-CZ 4.32Å; L40-F151 HydrophobicContact CG-CG 4.47Å; L40-V170 HydrophobicContact CD1-CG1 3.62Å; L40-V170 HydrophobicContact CG-CG1 4.13Å; L40-R171 WeakPolarHBondContact CA-O 3.46Å; L40-R171 WeakPolarHBondContact CB-O 3.49Å; L40-R171 PolarHBondContact N-O 3.48Å; L40-L172 HydrophobicContact CD1-CD2 4.29Å; L40-Y213 HydrophobicContact CB-CE1 4.36Å; L40-Y213 VanDerWaalsContact CB-OH 3.3Å; L40-Y213 WeakPolarHBondContact CB-OH 3.3Å; L40-Y213 HydrophobicContact CD1-CE1 4.29Å; L40-Y213 WeakPolarHBondContact O-CE2 3.37Å; L40-Y213 PolarHBondContact O-OH 2.88Å
41	S	96.9	Very high	97.6	Very high	24 Å²	24	25.9 Å²	25.9	17%	0.168	13%	0.132	C	C	.	.	S	Bend	trans	-71.7	-23.7	-179.7	57.8	0	0	0	0	113.4	D39 A173 T217	D39-S41 WeakPolarHBondContact OD1-CB 3.46Å; D39-S41 PolarHBondContact OD1-N 3.37Å; D39-S41 PolarHBondContact OD1-OG 3.2Å; S41-A173 VanDerWaalsContact O-CB 3.31Å; S41-A173 WeakPolarHBondContact O-CB 3.42Å; S41-T217 VanDerWaalsContact O-CG2 3.25Å; S41-T217 WeakPolarHBondContact O-CG2 3.5Å
42	T	97	Very high	97.6	Very high	19 Å²	19	27.3 Å²	27.3	12%	0.117	14%	0.139	C	C	.	.	S	Bend	trans	-108.3	-166.1	-179	75.6	0	0	0	0	110.4	L40 L44 L134 N215 D357	L40-T42 VanDerWaalsContact C-N 3.3Å; T42-L44 VanDerWaalsContact C-N 3.27Å; T42-L44 PolarHBondContact OG1-N 3.29Å; T42-L134 WeakPolarHBondContact O-CD1 3.5Å; T42-N215 PolarHBondContact O-ND2 2.77Å; T42-D357 VanDerWaalsContact CG2-OD2 3.25Å; T42-D357 WeakPolarHBondContact CG2-OD2 3.36Å
43	H	96.4	Very high	97.6	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.051	13%	0.134	C	C	.	.	S	Bend	trans	-81.1	-8.9	172.9	71.6	95.2	0	0	0	113.2	F219 L220 D357 V359	H43-F219 HydrophobicContact CB-CB 4.29Å; H43-F219 HydrophobicContact CB-CD1 3.75Å; H43-F219 HydrophobicContact CB-CD2 3.66Å; H43-F219 HydrophobicContact CB-CE1 3.88Å; H43-F219 HydrophobicContact CB-CE2 3.81Å; H43-F219 HydrophobicContact CB-CG 3.63Å; H43-F219 HydrophobicContact CB-CZ 3.91Å; H43-L220 PolarHBondContact CE1-O 2.77Å; H43-D357 PolarHBondContact CE1-O 3.36Å; H43-D357 PolarHBondContact NE2-O 2.92Å; H43-V359 VanDerWaalsContact CE1-CG1 3.42Å; H43-V359 WeakPolarHBondContact CE1-CG1 3.49Å
44	L	97.9	Very high	97.4	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.121	C	C	.	.	S	Bend	trans	-96.2	156.7	173.2	-59.6	175.3	0	0	0	110.5	T42 V129 D357 V359 V412	T42-L44 VanDerWaalsContact C-N 3.27Å; T42-L44 PolarHBondContact OG1-N 3.29Å; L44-V129 HydrophobicContact CB-CG1 4.38Å; L44-V129 HydrophobicContact CD1-CG1 4.05Å; L44-D357 HydrophobicContact CD1-CB 4.32Å; L44-V359 HydrophobicContact CD2-CB 4.22Å; L44-V359 HydrophobicContact CD2-CG2 4.49Å; L44-V412 HydrophobicContact CD1-CG1 4.27Å
45	A	98	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.4	163.8	0	0	0	0	0	109.4	L40 L130 I133 F151	L40-A45 HydrophobicContact CD2-CB 3.47Å; L40-A45 VanDerWaalsContact CD2-CB 3.47Å; A45-L130 HydrophobicContact CB-CB 4.24Å; A45-L130 HydrophobicContact CB-CD1 4.44Å; A45-L130 PolarHBondContact N-O 3.46Å; A45-L130 PolarHBondContact O-N 3.37Å; A45-I133 HydrophobicContact CB-CG2 3.57Å; A45-F151 HydrophobicContact CB-CD2 4.29Å; A45-F151 HydrophobicContact CB-CE2 3.78Å; A45-F151 HydrophobicContact CB-CZ 4.49Å
46	K	98.4	Very high	97	Very high	48 Å²	48	23.6 Å²	23.6	21%	0.209	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.8	178.2	-55.6	-178.9	-173.8	-176	0	108.9	D39 T128 V129 D357	D39-K46 HydrophobicContact CB-CB 4.35Å; D39-K46 PolarHBondContact N-O 2.65Å; D39-K46 PolarHBondContact O-N 2.86Å; K46-T128 CarbonylContact C-O 3.53Å; K46-V129 HydrophobicContact CG-CG1 4.42Å; K46-V129 HydrophobicContact CG-CG2 4.42Å; K46-D357 WeakPolarHBondContact CE-OD1 3.4Å; K46-D357 IonicContact NZ-OD1 3.58Å; K46-D357 PolarHBondContact NZ-OD1 2.82Å
47	I	98.1	Very high	96.5	Very high	21 Å²	21	23.6 Å²	23.6	11%	0.108	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.9	-178.4	-54.4	177.5	0	0	0	108.3	R36 T37 V38 L72 E127 T128 L130	R36-I47 HydrophobicContact CG-CG2 3.92Å; T37-I47 CarbonylContact O-C 3.59Å; T37-I47 WeakPolarHBondContact O-CA 3.44Å; V38-I47 HydrophobicContact CG1-CG1 4.22Å; V38-I47 HydrophobicContact CG2-CG1 4.29Å; V38-I47 HydrophobicContact CG2-CG2 4.33Å; I47-L72 HydrophobicContact CD1-CD1 4.46Å; I47-E127 CarbonylContact O-C 3.59Å; I47-E127 WeakPolarHBondContact O-CA 3.48Å; I47-T128 PolarHBondContact N-O 3.05Å; I47-T128 PolarHBondContact O-N 2.79Å; I47-L130 HydrophobicContact CD1-CD1 3.87Å
48	T	97.8	Very high	96.1	Very high	41 Å²	41	29 Å²	29	25%	0.252	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.1	172.2	-48.1	0	0	0	0	109	R36 T37 K125 V126	R36-T48 CarbonylContact C-O 3.49Å; R36-T48 WeakPolarHBondContact CA-O 3.31Å; T37-T48 PolarHBondContact N-O 3.04Å; T37-T48 PolarHBondContact O-N 3.21Å; T48-K125 HydrophobicContact CG2-CG 4Å; T48-V126 CarbonylContact C-O 3.56Å; T48-V126 VanDerWaalsContact CA-O 3.26Å; T48-V126 WeakPolarHBondContact CA-O 3.42Å
49	A	97.6	Very high	95.7	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.1	174.6	0	0	0	0	0	110.5	K35 R36 I51 V126 L157	K35-A49 WeakPolarHBondContact O-CA 3.2Å; R36-A49 HydrophobicContact CG-CB 4.42Å; A49-I51 HydrophobicContact CB-CD1 4.46Å; A49-I51 HydrophobicContact CB-CG1 4.23Å; A49-V126 HydrophobicContact CB-CB 4.39Å; A49-V126 PolarHBondContact N-O 2.79Å; A49-V126 PolarHBondContact O-N 2.65Å; A49-L157 HydrophobicContact CB-CD1 4.34Å
50	E	97.3	Very high	95.4	Very high	76 Å²	76	33.1 Å²	33.1	36%	0.355	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.7	166.1	-66.3	-178.6	-165.1	0	0	109.2	V34 K35 R123	V34-E50 WeakPolarHBondContact CA-O 3.26Å; K35-E50 HydrophobicContact CB-CB 4.35Å; K35-E50 PolarHBondContact N-O 3.02Å; K35-E50 PolarHBondContact O-N 3.25Å; E50-R123 IonicContact OE2-NH1 2.87Å; E50-R123 PolarHBondContact OE2-NH1 2.85Å
51	I	97.1	Very high	95.1	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.082	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.5	-175.5	-54.7	173	0	0	0	108.4	N31 V34 A49 L53 R123 V124 V126 L157	N31-I51 HydrophobicContact CB-CG2 4.14Å; N31-I51 WeakPolarHBondContact OD1-CG2 3.46Å; V34-I51 HydrophobicContact CG2-CG1 4.38Å; V34-I51 HydrophobicContact CG2-CG2 4.31Å; A49-I51 HydrophobicContact CB-CD1 4.46Å; A49-I51 HydrophobicContact CB-CG1 4.23Å; I51-L53 PolarHBondContact O-N 2.75Å; I51-R123 WeakPolarHBondContact O-CA 3.4Å; I51-V124 PolarHBondContact N-O 3.02Å; I51-V124 PolarHBondContact O-N 2.66Å; I51-V126 HydrophobicContact CD1-CG2 4.06Å; I51-L157 HydrophobicContact CD1-CD2 3.85Å; I51-L157 HydrophobicContact CG1-CD2 4.2Å
52	L	96.8	Very high	94.9	Very high	33 Å²	33	37.8 Å²	37.8	17%	0.173	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	91.5	166.2	-175.8	63.6	0	0	0	108.7	E32 E33 K121 R123	E32-L52 HydrophobicContact CB-CB 4.43Å; E32-L52 HydrophobicContact CB-CD2 4.03Å; E32-L52 HydrophobicContact CB-CG 4.18Å; E32-L52 PolarHBondContact N-O 2.94Å; E33-L52 HydrophobicContact CB-CB 4Å; E33-L52 HydrophobicContact CB-CD2 4.34Å; E33-L52 PolarHBondContact O-N 3.36Å; L52-K121 HydrophobicContact CD1-CB 4.1Å; L52-K121 HydrophobicContact CD2-CD 4.45Å; L52-R123 HydrophobicContact CD1-CB 4.46Å
53	L	95.2	Very high	94.7	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132	179.3	-170.1	67.4	0	0	0	109.9	L29 I51 F64 L116 K121 L122	L29-L53 HydrophobicContact CB-CD1 4.22Å; L29-L53 HydrophobicContact CD1-CD1 4.47Å; L29-L53 HydrophobicContact CD1-CD2 4.37Å; L29-L53 HydrophobicContact CD2-CD1 4.35Å; L29-L53 HydrophobicContact CD2-CD2 4.25Å; L29-L53 HydrophobicContact CD2-CG 4.19Å; I51-L53 PolarHBondContact O-N 2.75Å; L53-F64 HydrophobicContact CD2-CB 3.96Å; L53-F64 HydrophobicContact CD2-CD1 4.19Å; L53-F64 HydrophobicContact CD2-CG 4.04Å; L53-L116 HydrophobicContact CD2-CD2 4.19Å; L53-L116 HydrophobicContact CG-CD2 4.28Å; L53-K121 CarbonylContact O-C 3.6Å; L53-K121 VanDerWaalsContact O-CA 3.24Å; L53-K121 WeakPolarHBondContact O-CA 3.38Å; L53-L122 PolarHBondContact N-O 3.11Å; L53-L122 PolarHBondContact O-N 3.48Å
54	S	94.9	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.2	174.4	-175	0	0	0	0	110.7	L29 V30 Q56 A120	L29-S54 WeakPolarHBondContact CA-O 3.1Å; V30-S54 PolarHBondContact N-O 3.48Å; V30-S54 PolarHBondContact O-N 3.07Å; S54-Q56 PolarHBondContact OG-NE2 2.9Å; S54-A120 WeakPolarHBondContact CA-O 3.35Å
55	N	94.9	Very high	94.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.6	172.2	-177	1.3	0	0	0	110.2	L29 G57 S59 L116 G117 G119 A120	L29-N55 HydrophobicContact CD2-CB 4.05Å; N55-G57 PolarHBondContact OD1-N 3.28Å; N55-S59 PolarHBondContact ND2-O 3.38Å; N55-L116 HydrophobicContact CB-CD2 3.95Å; N55-L116 HydrophobicContact CB-CG 3.97Å; N55-L116 PolarHBondContact ND2-O 2.78Å; N55-G117 WeakPolarHBondContact CB-O 3.26Å; N55-G117 PolarHBondContact ND2-O 3.23Å; N55-G119 VanDerWaalsContact O-CA 3.29Å; N55-G119 WeakPolarHBondContact O-CA 3.38Å; N55-G119 PolarHBondContact O-N 3.1Å; N55-A120 PolarHBondContact N-O 3.41Å; N55-A120 VanDerWaalsContact N-O 3.1Å
56	Q	91.1	Very high	94.4	Very high	96 Å²	96	41.4 Å²	41.4	45%	0.449	23%	0.225	S	C	.	.			trans	-108.5	16.5	174.5	-57.7	-68.8	-30.8	0	0	111.7	G28 V30 S54	G28-Q56 CarbonylContact O-C 3.59Å; G28-Q56 VanDerWaalsContact O-CA 3.32Å; G28-Q56 WeakPolarHBondContact O-CA 3.36Å; G28-Q56 VanDerWaalsContact O-CB 3.3Å; G28-Q56 WeakPolarHBondContact O-CB 3.31Å; G28-Q56 PolarHBondContact O-N 2.87Å; V30-Q56 HydrophobicContact CB-CG 4.49Å; V30-Q56 HydrophobicContact CG2-CB 4.33Å; V30-Q56 HydrophobicContact CG2-CG 4.1Å; S54-Q56 PolarHBondContact OG-NE2 2.9Å
57	G	88.6	Confident	94.2	Very high	11 Å²	11	39.7 Å²	39.7	11%	0.113	22%	0.22	C	C	.	.	S	Bend	trans	-87.9	-175	177.7	0	0	0	0	0	113.1	N55 V118	N55-G57 PolarHBondContact OD1-N 3.28Å; G57-V118 WeakPolarHBondContact O-CG1 3.22Å; G57-V118 WeakPolarHBondContact O-CG2 3.35Å
58	D	88.9	Confident	94.1	Very high	173 Å²	173	38.9 Å²	38.9	93%	0.925	22%	0.216	S	C	*	.	S	Bend	trans	-90.2	-8.5	-176.8	-59	-44.2	0	0	0	113.3
59	S	90.6	Very high	93.9	Very high	72 Å²	72	38 Å²	38	50%	0.503	21%	0.209	S	C	.	.	S	Bend	trans	-139.8	158	-175.5	59.4	0	0	0	0	112.8	N55	N55-S59 PolarHBondContact ND2-O 3.38Å
60	A	91.3	Very high	93.7	Very high	47 Å²	47	39.9 Å²	39.9	39%	0.388	22%	0.221	S	C	.	.			trans	-66.9	143.6	173.2	0	0	0	0	0	111.3	L116	A60-L116 WeakPolarHBondContact CA-O 3.36Å
61	V	92	Very high	93.4	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.9	-174.9	179.5	0	0	0	0	110.5	D27 L29 N63 S115 L116	D27-V61 HydrophobicContact CB-CG2 3.98Å; L29-V61 HydrophobicContact CD1-CG1 4.09Å; L29-V61 HydrophobicContact CD2-CB 4.46Å; L29-V61 HydrophobicContact CD2-CG2 4.39Å; V61-N63 WeakPolarHBondContact CG1-O 3.37Å; V61-S115 CarbonylContact O-C 3.6Å; V61-S115 WeakPolarHBondContact O-CA 3.48Å; V61-L116 PolarHBondContact N-O 2.82Å; V61-L116 PolarHBondContact O-N 3.06Å
62	H	93.1	Very high	93.3	Very high	114 Å²	114	42.1 Å²	42.1	53%	0.528	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-9.7	-178.4	-69.6	-86.6	0	0	0	114.1	L112 S115	H62-L112 WeakPolarHBondContact O-CB 3.39Å; H62-L112 PolarHBondContact O-N 2.91Å; H62-S115 VanDerWaalsContact CE1-CB 3.45Å; H62-S115 WeakPolarHBondContact CE1-CB 3.39Å
63	N	93.7	Very high	93.2	Very high	46 Å²	46	41.1 Å²	41.1	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.8	-173.4	52.9	87.9	0	0	0	110.6	V61 K109 V110	V61-N63 WeakPolarHBondContact CG1-O 3.37Å; N63-K109 HydrophobicContact CB-CG 4.01Å; N63-K109 WeakPolarHBondContact ND2-CE 3.21Å; N63-K109 WeakPolarHBondContact OD1-CE 3.43Å; N63-V110 CarbonylContact C-O 3.53Å; N63-V110 WeakPolarHBondContact CA-O 3.48Å; N63-V110 VanDerWaalsContact CB-O 3.26Å; N63-V110 WeakPolarHBondContact CB-O 3.46Å
64	F	94.1	Very high	93.2	Very high	10 Å²	10	46 Å²	46	4%	0.044	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	165.9	170.6	74.3	-82.5	0	0	0	109.6	L29 L53 L66 L93 V110 L112 V124 Y161	L29-F64 HydrophobicContact CD1-CB 3.81Å; L53-F64 HydrophobicContact CD2-CB 3.96Å; L53-F64 HydrophobicContact CD2-CD1 4.19Å; L53-F64 HydrophobicContact CD2-CG 4.04Å; F64-L66 HydrophobicContact CE2-CB 4.44Å; F64-L93 HydrophobicContact CE1-CD1 4.31Å; F64-V110 HydrophobicContact CD1-CB 3.89Å; F64-V110 HydrophobicContact CD1-CG1 4.32Å; F64-V110 HydrophobicContact CE1-CB 3.43Å; F64-V110 VanDerWaalsContact CE1-CB 3.43Å; F64-V110 HydrophobicContact CE1-CG1 3.49Å; F64-V110 VanDerWaalsContact CE1-CG1 3.49Å; F64-V110 HydrophobicContact CE1-CG2 4.06Å; F64-V110 HydrophobicContact CE2-CB 4.21Å; F64-V110 HydrophobicContact CE2-CG2 3.95Å; F64-V110 HydrophobicContact CG-CB 4.46Å; F64-V110 HydrophobicContact CZ-CB 3.59Å; F64-V110 HydrophobicContact CZ-CG1 3.74Å; F64-V110 HydrophobicContact CZ-CG2 3.65Å; F64-V110 PolarHBondContact N-O 3.1Å; F64-V110 VanDerWaalsContact N-O 3.08Å; F64-V110 PolarHBondContact O-N 2.97Å; F64-L112 HydrophobicContact CD1-CD2 3.64Å; F64-L112 HydrophobicContact CD1-CG 4.29Å; F64-L112 HydrophobicContact CE1-CD2 3.8Å; F64-V124 HydrophobicContact CE1-CG1 4.07Å; F64-V124 HydrophobicContact CE1-CG2 4.21Å; F64-V124 HydrophobicContact CZ-CB 4.43Å; F64-V124 HydrophobicContact CZ-CG1 3.74Å; F64-V124 HydrophobicContact CZ-CG2 4.47Å; F64-Y161 HydrophobicContact CB-CE2 4.21Å; F64-Y161 HydrophobicContact CD2-CE2 4.5Å
65	I	95.2	Very high	93.3	Very high	41 Å²	41	47.8 Å²	47.8	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.2	-178.6	-56.5	171.3	0	0	0	109.6	T98 I100 F107 Y108 P160 Y161	I65-T98 HydrophobicContact CG2-CG2 4.44Å; I65-I100 HydrophobicContact CD1-CD1 4.24Å; I65-I100 HydrophobicContact CD1-CG1 4.5Å; I65-I100 HydrophobicContact CG2-CD1 4.09Å; I65-F107 HydrophobicContact CG2-CB 4.05Å; I65-F107 HydrophobicContact CG2-CD1 4.42Å; I65-Y108 WeakPolarHBondContact CA-O 3.44Å; I65-P160 HydrophobicContact CB-CG 4.07Å; I65-P160 HydrophobicContact CG2-CG 4.35Å; I65-Y161 PolarHBondContact N-OH 3.25Å; I65-Y161 WeakPolarHBondContact O-CE2 3.32Å
66	L	95.6	Very high	93.4	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.068	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.1	167.8	-171.6	164.5	0	0	0	108.1	F64 V68 V79 L95 F107 Y108 V110 V126	F64-L66 HydrophobicContact CE2-CB 4.44Å; L66-V68 HydrophobicContact CD2-CG2 4.04Å; L66-V79 HydrophobicContact CD1-CG2 3.91Å; L66-V79 HydrophobicContact CD2-CG2 3.85Å; L66-L95 HydrophobicContact CD1-CD2 4.44Å; L66-F107 CarbonylContact O-C 3.59Å; L66-F107 WeakPolarHBondContact O-CA 3.45Å; L66-Y108 HydrophobicContact CD2-CD2 4.32Å; L66-Y108 PolarHBondContact N-O 3.1Å; L66-Y108 PolarHBondContact O-N 3.02Å; L66-V110 HydrophobicContact CB-CG2 4.06Å; L66-V110 HydrophobicContact CD1-CG2 4.45Å; L66-V126 HydrophobicContact CD1-CB 4.23Å; L66-V126 HydrophobicContact CD1-CG1 3.38Å; L66-V126 HydrophobicContact CD1-CG2 3.8Å; L66-V126 HydrophobicContact CG-CG1 4.14Å
67	A	95.4	Very high	93.7	Very high	11 Å²	11	45 Å²	45	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.4	178.1	0	0	0	0	0	110.4	E106 F107 Y158	A67-E106 CarbonylContact C-O 3.55Å; A67-E106 WeakPolarHBondContact CA-O 3.12Å; A67-F107 HydrophobicContact CB-CD1 3.6Å; A67-F107 HydrophobicContact CB-CE1 3.66Å; A67-Y158 HydrophobicContact CB-CD1 3.67Å; A67-Y158 HydrophobicContact CB-CE1 3.96Å
68	V	95.3	Very high	94.1	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.1	169.5	-179.3	0	0	0	0	107.1	L66 L72 A73 L76 G105 E106 Y108	L66-V68 HydrophobicContact CD2-CG2 4.04Å; V68-L72 HydrophobicContact CG1-CB 4.32Å; V68-A73 HydrophobicContact CG1-CB 4.39Å; V68-L76 HydrophobicContact CG2-CD2 4.18Å; V68-G105 WeakPolarHBondContact O-CA 3.13Å; V68-E106 HydrophobicContact CB-CB 4.37Å; V68-E106 PolarHBondContact N-O 2.93Å; V68-E106 PolarHBondContact O-N 3.17Å; V68-Y108 HydrophobicContact CG2-CE2 4.29Å
69	E	93.4	Very high	94.5	Very high	23 Å²	23	39.4 Å²	39.4	11%	0.107	23%	0.227	C	C	.	.			trans	-62.2	151.5	-176.3	57.5	-99.3	-130.6	0	0	112.8	D71 L72 A73 N154 Y158	E69-D71 VanDerWaalsContact C-N 3.25Å; E69-D71 PolarHBondContact O-N 2.92Å; E69-L72 HydrophobicContact CG-CB 3.88Å; E69-L72 HydrophobicContact CG-CD1 3.83Å; E69-L72 HydrophobicContact CG-CG 3.55Å; E69-L72 PolarHBondContact O-N 3.35Å; E69-L72 VanDerWaalsContact O-N 3.11Å; E69-L72 WeakPolarHBondContact OE1-CD1 3.47Å; E69-A73 PolarHBondContact O-N 2.86Å; E69-N154 WeakPolarHBondContact OE1-CB 3.29Å; E69-Y158 HydrophobicContact CB-CD1 3.92Å; E69-Y158 HydrophobicContact CB-CD2 4.36Å; E69-Y158 HydrophobicContact CB-CE1 4.35Å; E69-Y158 HydrophobicContact CB-CG 3.9Å
70	P	92.8	Very high	94.7	Very high	41 Å²	41	36.2 Å²	36.2	27%	0.266	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-36.8	-176.4	-22.5	30.2	0	0	0	114.3	L72 P74 S104	P70-L72 VanDerWaalsContact C-N 3.32Å; P70-L72 PolarHBondContact O-N 3.27Å; P70-P74 WeakPolarHBondContact O-CD 3.38Å; P70-S104 VanDerWaalsContact CG-OG 3.29Å; P70-S104 WeakPolarHBondContact CG-OG 3.17Å
71	D	92.4	Very high	94.9	Very high	136 Å²	136	34 Å²	34	73%	0.727	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.2	-177.3	-72.5	-13.3	0	0	0	112.6	E69	E69-D71 VanDerWaalsContact C-N 3.25Å; E69-D71 PolarHBondContact O-N 2.92Å
72	L	94.5	Very high	95.1	Very high	4 Å²	4	34 Å²	34	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-22.9	-179.7	-57.4	-170.7	0	0	0	113	I47 V68 E69 P70 P74 H75 L76 L130 I133	I47-L72 HydrophobicContact CD1-CD1 4.46Å; V68-L72 HydrophobicContact CG1-CB 4.32Å; E69-L72 HydrophobicContact CG-CB 3.88Å; E69-L72 HydrophobicContact CG-CD1 3.83Å; E69-L72 HydrophobicContact CG-CG 3.55Å; E69-L72 PolarHBondContact O-N 3.35Å; E69-L72 VanDerWaalsContact O-N 3.11Å; E69-L72 WeakPolarHBondContact OE1-CD1 3.47Å; P70-L72 VanDerWaalsContact C-N 3.32Å; P70-L72 PolarHBondContact O-N 3.27Å; L72-P74 VanDerWaalsContact C-CD 3.49Å; L72-H75 CarbonylContact O-C 3.45Å; L72-H75 WeakPolarHBondContact O-CA 3.34Å; L72-H75 WeakPolarHBondContact O-CB 3.3Å; L72-H75 PolarHBondContact O-N 3Å; L72-L76 PolarHBondContact O-N 3.02Å; L72-L130 HydrophobicContact CB-CD1 4.1Å; L72-L130 HydrophobicContact CB-CD2 4.3Å; L72-L130 HydrophobicContact CD1-CD1 3.66Å; L72-L130 HydrophobicContact CD2-CD1 4.19Å; L72-L130 HydrophobicContact CG-CD1 4.2Å; L72-I133 HydrophobicContact CD2-CD1 3.71Å; L72-I133 HydrophobicContact CD2-CG1 4.09Å
73	A	94.4	Very high	95.1	Very high	12 Å²	12	29.1 Å²	29.1	10%	0.099	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-52	-43.7	-179.3	0	0	0	0	0	114.3	V68 E69 H75 L76 E106	V68-A73 HydrophobicContact CG1-CB 4.39Å; E69-A73 PolarHBondContact O-N 2.86Å; A73-H75 PolarHBondContact O-N 3.05Å; A73-H75 VanDerWaalsContact O-N 3.08Å; A73-L76 VanDerWaalsContact O-CB 3.28Å; A73-L76 WeakPolarHBondContact O-CB 3.35Å; A73-L76 PolarHBondContact O-N 3.35Å; A73-E106 HydrophobicContact CB-CB 4.39Å; A73-E106 HydrophobicContact CB-CG 3.85Å
74	P	95.6	Very high	94.7	Very high	103 Å²	103	35.8 Å²	35.8	67%	0.669	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-62.7	-18.7	177.2	-23.6	34.5	0	0	0	114.7	P70 L72	P70-P74 WeakPolarHBondContact O-CD 3.38Å; L72-P74 VanDerWaalsContact C-CD 3.49Å
75	H	96.9	Very high	93.6	Very high	39 Å²	39	36.4 Å²	36.4	18%	0.181	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-100.9	0.1	-178.7	-70.4	-73.3	0	0	0	112.4	L72 A73 A77 L130 S131 H132 I133	L72-H75 CarbonylContact O-C 3.45Å; L72-H75 WeakPolarHBondContact O-CA 3.34Å; L72-H75 WeakPolarHBondContact O-CB 3.3Å; L72-H75 PolarHBondContact O-N 3Å; A73-H75 PolarHBondContact O-N 3.05Å; A73-H75 VanDerWaalsContact O-N 3.08Å; H75-A77 PolarHBondContact O-N 2.81Å; H75-L130 HydrophobicContact CB-CB 4.48Å; H75-L130 CarbonylContact O-C 3.59Å; H75-L130 VanDerWaalsContact O-CA 3.25Å; H75-L130 WeakPolarHBondContact O-CA 3.49Å; H75-S131 VanDerWaalsContact CB-O 3.29Å; H75-S131 WeakPolarHBondContact CB-O 3.33Å; H75-S131 PolarHBondContact ND1-O 2.75Å; H75-S131 PolarHBondContact O-N 2.64Å; H75-S131 PolarHBondContact O-OG 2.8Å; H75-H132 PolarHBondContact CE1-O 2.69Å; H75-H132 VanDerWaalsContact CE1-O 3.22Å; H75-H132 PolarHBondContact ND1-O 2.8Å; H75-I133 HydrophobicContact CB-CB 4.41Å; H75-I133 HydrophobicContact CB-CD1 4.38Å
76	L	97.2	Very high	92.2	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.115	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	115.2	-177.8	-176.4	65.6	0	0	0	111.1	V68 L72 A73 Y78 V79 E106 Y108 T128 L130 N410	V68-L76 HydrophobicContact CG2-CD2 4.18Å; L72-L76 PolarHBondContact O-N 3.02Å; A73-L76 VanDerWaalsContact O-CB 3.28Å; A73-L76 WeakPolarHBondContact O-CB 3.35Å; A73-L76 PolarHBondContact O-N 3.35Å; L76-Y78 WeakPolarHBondContact CD1-O 3.41Å; L76-V79 HydrophobicContact CD1-CB 4.36Å; L76-V79 HydrophobicContact CD2-CB 4.44Å; L76-V79 HydrophobicContact CD2-CG1 4.35Å; L76-E106 WeakPolarHBondContact CD2-OE2 3.23Å; L76-Y108 HydrophobicContact CD2-CE2 4.04Å; L76-Y108 WeakPolarHBondContact CD2-OH 3.4Å; L76-T128 HydrophobicContact CD1-CG2 3.37Å; L76-L130 HydrophobicContact CB-CD2 4.35Å; L76-L130 HydrophobicContact CD1-CD2 3.99Å; L76-N410 VanDerWaalsContact C-ND2 3.32Å; L76-N410 PolarHBondContact O-ND2 3.15Å
77	A	97.1	Very high	90.4	Very high	14 Å²	14	50.1 Å²	50.1	12%	0.116	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-44.9	172.8	0	0	0	0	0	111.4	H75 V129 N410 V412 H415	H75-A77 PolarHBondContact O-N 2.81Å; A77-V129 PolarHBondContact N-O 3.33Å; A77-N410 VanDerWaalsContact CA-ND2 3.31Å; A77-N410 WeakPolarHBondContact CA-ND2 3.48Å; A77-N410 PolarHBondContact N-ND2 3.23Å; A77-V412 HydrophobicContact CB-CG1 3.65Å; A77-V412 HydrophobicContact CB-CG2 4.1Å; A77-H415 PolarHBondContact O-CE1 3.4Å
78	Y	97.1	Very high	88.7	Confident	42 Å²	42	59.5 Å²	59.5	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.5	-177.1	175.4	-100.2	0	0	0	111.4	L76 E127 T128 V129 Q414	L76-Y78 WeakPolarHBondContact CD1-O 3.41Å; Y78-E127 HydrophobicContact CE1-CB 4.42Å; Y78-E127 HydrophobicContact CE1-CG 4.37Å; Y78-T128 CarbonylContact O-C 3.5Å; Y78-T128 WeakPolarHBondContact O-CA 3.49Å; Y78-V129 HydrophobicContact CD1-CG2 4.2Å; Y78-V129 PolarHBondContact N-O 2.86Å; Y78-V129 PolarHBondContact O-N 2.87Å; Y78-Q414 HydrophobicContact CD1-CB 4Å; Y78-Q414 HydrophobicContact CD1-CG 3.87Å; Y78-Q414 HydrophobicContact CD2-CB 3.76Å; Y78-Q414 HydrophobicContact CE1-CB 4.09Å; Y78-Q414 HydrophobicContact CE1-CG 3.89Å; Y78-Q414 HydrophobicContact CE2-CB 3.87Å; Y78-Q414 HydrophobicContact CG-CB 3.82Å; Y78-Q414 HydrophobicContact CG-CG 4.19Å
79	V	96.8	Very high	87.5	Confident	25 Å²	25	66.8 Å²	66.8	15%	0.152	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.9	168.3	60.3	0	0	0	0	109.2	L66 L76 L95 Y108 E127	L66-V79 HydrophobicContact CD1-CG2 3.91Å; L66-V79 HydrophobicContact CD2-CG2 3.85Å; L76-V79 HydrophobicContact CD1-CB 4.36Å; L76-V79 HydrophobicContact CD2-CB 4.44Å; L76-V79 HydrophobicContact CD2-CG1 4.35Å; V79-L95 HydrophobicContact CG1-CD2 4.32Å; V79-L95 HydrophobicContact CG2-CD2 4.03Å; V79-Y108 HydrophobicContact CG1-CD1 4.1Å; V79-Y108 HydrophobicContact CG1-CD2 4.26Å; V79-Y108 HydrophobicContact CG1-CE1 3.84Å; V79-Y108 HydrophobicContact CG1-CE2 4.02Å; V79-Y108 HydrophobicContact CG1-CG 4.31Å; V79-E127 WeakPolarHBondContact CA-O 3.3Å
80	G	95.7	Very high	87	Confident	5 Å²	5	68.6 Å²	68.6	5%	0.052	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.9	178.4	0	0	0	0	0	111.1	V126 E127	G80-V126 WeakPolarHBondContact O-CA 3.42Å; G80-E127 PolarHBondContact N-O 2.85Å; G80-E127 PolarHBondContact O-N 2.87Å
81	A	95.9	Very high	86.8	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.008	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.2	172.6	0	0	0	0	0	109.2	L93 L95 V110 V124 K125 V126	A81-L93 HydrophobicContact CB-CB 4.34Å; A81-L93 HydrophobicContact CB-CD1 4.24Å; A81-L93 WeakPolarHBondContact O-CB 3.38Å; A81-L93 PolarHBondContact O-N 3.22Å; A81-L95 HydrophobicContact CB-CD1 4.3Å; A81-V110 HydrophobicContact CB-CG1 3.82Å; A81-V110 HydrophobicContact CB-CG2 4.37Å; A81-V124 HydrophobicContact CB-CG1 4.39Å; A81-K125 CarbonylContact C-O 3.59Å; A81-K125 WeakPolarHBondContact CA-O 3.27Å; A81-V126 HydrophobicContact CB-CG2 4.41Å
82	S	95	Very high	86.7	Confident	7 Å²	7	68.3 Å²	68.3	5%	0.049	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159.9	179.5	69.4	0	0	0	0	111.6	A91 V124 K125	S82-A91 CarbonylContact C-O 3.53Å; S82-A91 WeakPolarHBondContact CA-O 3.41Å; S82-A91 WeakPolarHBondContact CB-O 3.43Å; S82-V124 WeakPolarHBondContact O-CG1 3.32Å; S82-K125 PolarHBondContact N-O 3.35Å; S82-K125 PolarHBondContact O-N 3.13Å
83	V	93.4	Very high	86.6	Confident	12 Å²	12	69 Å²	69	7%	0.073	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.3	170.1	-66.8	0	0	0	0	109	G85 D90 A91 L93 P113 L122 V124	V83-G85 PolarHBondContact O-N 3.42Å; V83-G85 VanDerWaalsContact O-N 3.11Å; V83-D90 CarbonylContact O-C 3.52Å; V83-D90 WeakPolarHBondContact O-CA 3.07Å; V83-A91 HydrophobicContact CG2-CB 4.16Å; V83-A91 PolarHBondContact N-O 3.29Å; V83-A91 PolarHBondContact O-N 3.25Å; V83-L93 HydrophobicContact CG1-CD1 4.1Å; V83-L93 HydrophobicContact CG1-CD2 4.35Å; V83-L93 HydrophobicContact CG2-CD2 4.13Å; V83-P113 HydrophobicContact CG2-CG 3.88Å; V83-L122 HydrophobicContact CG1-CD1 4.26Å; V83-L122 HydrophobicContact CG1-CD2 4.21Å; V83-L122 HydrophobicContact CG1-CG 4.35Å; V83-V124 HydrophobicContact CG1-CG2 4.12Å
84	K	85	Confident	86.5	Confident	186 Å²	186	74 Å²	74	81%	0.809	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	119.3	174.7	-170.8	172.2	-177.8	176.3	0	109.5
85	G	72.2	Confident	86.4	Confident	22 Å²	22	71.5 Å²	71.5	23%	0.227	36%	0.362	C	S	.	.			trans	-78.4	178.9	177.2	0	0	0	0	0	112.9	V83 E87	V83-G85 PolarHBondContact O-N 3.42Å; V83-G85 VanDerWaalsContact O-N 3.11Å; G85-E87 VanDerWaalsContact C-N 3.33Å
86	D	64.7	Low	86.2	Confident	184 Å²	184	75.5 Å²	75.5	98%	0.984	38%	0.379	S	S	*	.	S	Bend	trans	-77.7	-20.4	171.9	-69.3	-33.6	0	0	0	112.1
87	E	59	Low	86	Confident	158 Å²	158	81 Å²	81	74%	0.738	40%	0.404	S	S	*	.	S	Bend	trans	-96.6	178.3	173.9	-63.6	-175.6	171.1	0	0	111.2	G85 E89	G85-E87 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 2.76Å
88	E	59.2	Low	85.8	Confident	209 Å²	209	82.7 Å²	82.7	98%	0.977	41%	0.413	S	S	*	.	S	Bend	trans	-65.8	-10.1	174.5	-71.8	-169.8	163.1	0	0	113.2
89	E	70.6	Confident	85.5	Confident	157 Å²	157	86.6 Å²	86.6	73%	0.734	44%	0.441	S	S	*	.	S	Bend	trans	-97.3	140.7	177.9	-66.6	-172.3	174.5	0	0	113.3	E87	E87-E89 PolarHBondContact O-N 2.76Å
90	D	82.8	Confident	85.1	Confident	62 Å²	62	86.5 Å²	86.5	33%	0.332	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.9	176.3	-70.8	-31.4	0	0	0	110.5	V83 M92 K125	V83-D90 CarbonylContact O-C 3.52Å; V83-D90 WeakPolarHBondContact O-CA 3.07Å; D90-M92 PolarHBondContact O-N 3.38Å; D90-K125 WeakPolarHBondContact OD2-CD 3.35Å; D90-K125 IonicContact OD2-NZ 3.7Å; D90-K125 PolarHBondContact OD2-NZ 2.97Å
91	A	86.9	Confident	84.6	Confident	44 Å²	44	95.1 Å²	95.1	36%	0.364	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.1	175.7	0	0	0	0	0	110.8	S82 V83	S82-A91 CarbonylContact C-O 3.53Å; S82-A91 WeakPolarHBondContact CA-O 3.41Å; S82-A91 WeakPolarHBondContact CB-O 3.43Å; V83-A91 HydrophobicContact CG2-CB 4.16Å; V83-A91 PolarHBondContact N-O 3.29Å; V83-A91 PolarHBondContact O-N 3.25Å
92	M	90.9	Very high	84.1	Confident	127 Å²	127	99 Å²	99	63%	0.626	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.3	177.6	-66.1	-66.6	165.1	0	0	111.6	D90	D90-M92 PolarHBondContact O-N 3.38Å
93	L	92.1	Very high	83.8	Confident	17 Å²	17	102.1 Å²	102.1	9%	0.089	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-97.1	152.6	178.2	-57.3	-176.4	0	0	0	110.7	F64 A81 V83 L95 V110 L112 P113 V124	F64-L93 HydrophobicContact CE1-CD1 4.31Å; A81-L93 HydrophobicContact CB-CB 4.34Å; A81-L93 HydrophobicContact CB-CD1 4.24Å; A81-L93 WeakPolarHBondContact O-CB 3.38Å; A81-L93 PolarHBondContact O-N 3.22Å; V83-L93 HydrophobicContact CG1-CD1 4.1Å; V83-L93 HydrophobicContact CG1-CD2 4.35Å; V83-L93 HydrophobicContact CG2-CD2 4.13Å; L93-L95 VanDerWaalsContact O-CD1 3.23Å; L93-L95 WeakPolarHBondContact O-CD1 3.31Å; L93-V110 HydrophobicContact CB-CG1 3.58Å; L93-V110 HydrophobicContact CD1-CG1 3.49Å; L93-V110 VanDerWaalsContact CD1-CG1 3.49Å; L93-V110 HydrophobicContact CG-CG1 4.19Å; L93-L112 HydrophobicContact CD1-CD2 4.44Å; L93-P113 HydrophobicContact CD2-CG 3.56Å; L93-V124 HydrophobicContact CD1-CG1 4.15Å
94	E	92.1	Very high	83.6	Confident	119 Å²	119	105 Å²	105	56%	0.556	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-77.2	131.6	172.1	-69.4	-174.3	-172.2	0	0	111	K96 V110 Q111	E94-K96 IonicContact OE2-NZ 2.97Å; E94-V110 WeakPolarHBondContact O-CA 3.24Å; E94-Q111 HydrophobicContact CB-CB 4.37Å; E94-Q111 PolarHBondContact O-N 3.18Å
95	L	93.9	Very high	83.9	Confident	50 Å²	50	97.6 Å²	97.6	26%	0.262	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.5	175.6	-67.8	89.7	0	0	0	110.3	L66 V79 A81 L93 Y108 V110	L66-L95 HydrophobicContact CD1-CD2 4.44Å; V79-L95 HydrophobicContact CG1-CD2 4.32Å; V79-L95 HydrophobicContact CG2-CD2 4.03Å; A81-L95 HydrophobicContact CB-CD1 4.3Å; L93-L95 VanDerWaalsContact O-CD1 3.23Å; L93-L95 WeakPolarHBondContact O-CD1 3.31Å; L95-Y108 HydrophobicContact CD2-CG 4.45Å; L95-V110 HydrophobicContact CD2-CG2 4.17Å; L95-V110 HydrophobicContact CG-CG2 4.09Å
96	K	93.3	Very high	85	Confident	123 Å²	123	99.1 Å²	99.1	54%	0.535	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.8	172.3	-69.4	176.7	-177.5	161.5	0	109.8	E94 T98 Y108 K109	E94-K96 IonicContact OE2-NZ 2.97Å; K96-T98 PolarHBondContact O-N 3.01Å; K96-Y108 CarbonylContact O-C 3.53Å; K96-K109 PolarHBondContact N-O 3.11Å; K96-K109 PolarHBondContact O-N 2.97Å
97	Q	92.4	Very high	86.4	Confident	138 Å²	138	90.5 Å²	90.5	65%	0.645	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	139.2	177.9	-163.3	177.1	10.2	0	0	110.4	F107 Y108	Q97-F107 CarbonylContact C-O 3.57Å; Q97-F107 WeakPolarHBondContact CA-O 3.47Å; Q97-Y108 HydrophobicContact CB-CD1 4.39Å; Q97-Y108 HydrophobicContact CB-CE1 4.29Å; Q97-Y108 HydrophobicContact CG-CE1 4.26Å
98	T	93.3	Very high	88.2	Confident	49 Å²	49	84.4 Å²	84.4	30%	0.301	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	172.7	-178.8	-166.7	0	0	0	0	110.3	I65 K96 F107 K109	I65-T98 HydrophobicContact CG2-CG2 4.44Å; K96-T98 PolarHBondContact O-N 3.01Å; T98-F107 HydrophobicContact CG2-CB 3.73Å; T98-F107 PolarHBondContact N-O 3.22Å; T98-F107 WeakPolarHBondContact O-CB 3.48Å; T98-K109 HydrophobicContact CG2-CB 4.29Å
99	T	91.6	Very high	89.9	Confident	124 Å²	124	79 Å²	79	76%	0.761	43%	0.428	S	S	*	.			trans	-125.6	147.8	174	56.1	0	0	0	0	110.3
100	I	88.3	Confident	91.1	Very high	22 Å²	22	71.5 Å²	71.5	11%	0.113	39%	0.393	C	S	.	.			trans	-114.7	123.7	172.9	-58.9	180	0	0	0	107.3	V24 I65 G102 Q103 F107 P160 F204	V24-I100 HydrophobicContact CG1-CG2 4.11Å; I65-I100 HydrophobicContact CD1-CD1 4.24Å; I65-I100 HydrophobicContact CD1-CG1 4.5Å; I65-I100 HydrophobicContact CG2-CD1 4.09Å; I100-G102 PolarHBondContact O-N 3.49Å; I100-Q103 HydrophobicContact CB-CB 4.22Å; I100-Q103 HydrophobicContact CG2-CB 4.16Å; I100-Q103 HydrophobicContact CG2-CG 3.93Å; I100-Q103 PolarHBondContact O-N 3.09Å; I100-F107 HydrophobicContact CB-CD2 4.32Å; I100-F107 HydrophobicContact CB-CE2 4.24Å; I100-F107 HydrophobicContact CB-CZ 4.44Å; I100-F107 HydrophobicContact CD1-CD1 3.6Å; I100-F107 HydrophobicContact CD1-CE1 3.86Å; I100-F107 HydrophobicContact CD1-CG 3.95Å; I100-F107 HydrophobicContact CD1-CZ 4.4Å; I100-F107 HydrophobicContact CG1-CB 4.42Å; I100-F107 HydrophobicContact CG1-CD1 4.09Å; I100-F107 HydrophobicContact CG1-CD2 4.12Å; I100-F107 HydrophobicContact CG1-CE1 4.44Å; I100-F107 HydrophobicContact CG1-CE2 4.44Å; I100-F107 HydrophobicContact CG1-CG 3.92Å; I100-P160 HydrophobicContact CD1-CB 4.36Å; I100-F204 HydrophobicContact CD1-CE1 4.48Å; I100-F204 HydrophobicContact CD1-CZ 3.95Å
101	Q	85.3	Confident	91.6	Very high	186 Å²	186	73.3 Å²	73.3	87%	0.869	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	129.9	-178.9	-68.8	-173.3	-4.8	0	0	111.2	Q103	Q101-Q103 VanDerWaalsContact C-N 3.3Å; Q101-Q103 PolarHBondContact O-N 3.29Å
102	G	84.9	Confident	91.9	Very high	83 Å²	83	71.6 Å²	71.6	86%	0.856	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	6.8	177.5	0	0	0	0	0	115.2	I100	I100-G102 PolarHBondContact O-N 3.49Å
103	Q	89.1	Confident	91.8	Very high	72 Å²	72	69.9 Å²	69.9	34%	0.336	38%	0.383	S	S	.	.			trans	-119.9	140.7	176.1	-63.8	-63.9	-12.7	0	0	111.1	I100 Q101 F107 F204	I100-Q103 HydrophobicContact CB-CB 4.22Å; I100-Q103 HydrophobicContact CG2-CB 4.16Å; I100-Q103 HydrophobicContact CG2-CG 3.93Å; I100-Q103 PolarHBondContact O-N 3.09Å; Q101-Q103 VanDerWaalsContact C-N 3.3Å; Q101-Q103 PolarHBondContact O-N 3.29Å; Q103-F107 HydrophobicContact CB-CE2 4.31Å; Q103-F107 HydrophobicContact CB-CZ 3.77Å; Q103-F204 HydrophobicContact CB-CZ 4.44Å; Q103-F204 HydrophobicContact CG-CD2 4.39Å; Q103-F204 HydrophobicContact CG-CE1 4.23Å; Q103-F204 HydrophobicContact CG-CE2 3.92Å; Q103-F204 HydrophobicContact CG-CZ 3.8Å
104	S	88.8	Confident	91.7	Very high	73 Å²	73	73.3 Å²	73.3	51%	0.51	41%	0.408	S	S	.	.			trans	-96.8	154.7	174.6	47.2	0	0	0	0	111.2	P70 F107 Y158	P70-S104 VanDerWaalsContact CG-OG 3.29Å; P70-S104 WeakPolarHBondContact CG-OG 3.17Å; S104-F107 WeakPolarHBondContact O-CZ 3.49Å; S104-Y158 PolarHBondContact O-OH 2.87Å
105	G	90.9	Very high	91.7	Very high	30 Å²	30	70.4 Å²	70.4	31%	0.309	40%	0.401	S	S	.	.	S	Bend	trans	118.1	-175.3	-177.4	0	0	0	0	0	111.4	V68 F107	V68-G105 WeakPolarHBondContact O-CA 3.13Å; G105-F107 WeakPolarHBondContact O-CE2 3.31Å
106	E	94.3	Very high	91.6	Very high	54 Å²	54	68.6 Å²	68.6	25%	0.252	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.4	174.3	-73	-172.7	-177.3	0	0	110.6	A67 V68 A73 L76 Y108	A67-E106 CarbonylContact C-O 3.55Å; A67-E106 WeakPolarHBondContact CA-O 3.12Å; V68-E106 HydrophobicContact CB-CB 4.37Å; V68-E106 PolarHBondContact N-O 2.93Å; V68-E106 PolarHBondContact O-N 3.17Å; A73-E106 HydrophobicContact CB-CB 4.39Å; A73-E106 HydrophobicContact CB-CG 3.85Å; L76-E106 WeakPolarHBondContact CD2-OE2 3.23Å; E106-Y108 HydrophobicContact CB-CE2 3.79Å; E106-Y108 PolarHBondContact OE2-OH 3.45Å
107	F	95.8	Very high	91.6	Very high	4 Å²	4	64 Å²	64	2%	0.018	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.1	-176.6	-51.7	-76.9	0	0	0	110.4	I65 L66 A67 Q97 T98 I100 Q103 S104 G105 Y158 F204	I65-F107 HydrophobicContact CG2-CB 4.05Å; I65-F107 HydrophobicContact CG2-CD1 4.42Å; L66-F107 CarbonylContact O-C 3.59Å; L66-F107 WeakPolarHBondContact O-CA 3.45Å; A67-F107 HydrophobicContact CB-CD1 3.6Å; A67-F107 HydrophobicContact CB-CE1 3.66Å; Q97-F107 CarbonylContact C-O 3.57Å; Q97-F107 WeakPolarHBondContact CA-O 3.47Å; T98-F107 HydrophobicContact CG2-CB 3.73Å; T98-F107 PolarHBondContact N-O 3.22Å; T98-F107 WeakPolarHBondContact O-CB 3.48Å; I100-F107 HydrophobicContact CB-CD2 4.32Å; I100-F107 HydrophobicContact CB-CE2 4.24Å; I100-F107 HydrophobicContact CB-CZ 4.44Å; I100-F107 HydrophobicContact CD1-CD1 3.6Å; I100-F107 HydrophobicContact CD1-CE1 3.86Å; I100-F107 HydrophobicContact CD1-CG 3.95Å; I100-F107 HydrophobicContact CD1-CZ 4.4Å; I100-F107 HydrophobicContact CG1-CB 4.42Å; I100-F107 HydrophobicContact CG1-CD1 4.09Å; I100-F107 HydrophobicContact CG1-CD2 4.12Å; I100-F107 HydrophobicContact CG1-CE1 4.44Å; I100-F107 HydrophobicContact CG1-CE2 4.44Å; I100-F107 HydrophobicContact CG1-CG 3.92Å; Q103-F107 HydrophobicContact CB-CE2 4.31Å; Q103-F107 HydrophobicContact CB-CZ 3.77Å; S104-F107 WeakPolarHBondContact O-CZ 3.49Å; G105-F107 WeakPolarHBondContact O-CE2 3.31Å; F107-Y158 HydrophobicContact CE1-CE1 4.28Å; F107-F204 AromaticContact CE1-CE1 3.89Å; F107-F204 HydrophobicContact CE1-CE1 3.89Å; F107-F204 HydrophobicContact CZ-CE1 4.48Å
108	Y	95.8	Very high	91.6	Very high	30 Å²	30	61.6 Å²	61.6	12%	0.118	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.7	-177.5	-61.5	-91.3	0	0	0	109.1	I65 L66 V68 L76 V79 L95 K96 Q97 E106 V110	I65-Y108 WeakPolarHBondContact CA-O 3.44Å; L66-Y108 HydrophobicContact CD2-CD2 4.32Å; L66-Y108 PolarHBondContact N-O 3.1Å; L66-Y108 PolarHBondContact O-N 3.02Å; V68-Y108 HydrophobicContact CG2-CE2 4.29Å; L76-Y108 HydrophobicContact CD2-CE2 4.04Å; L76-Y108 WeakPolarHBondContact CD2-OH 3.4Å; V79-Y108 HydrophobicContact CG1-CD1 4.1Å; V79-Y108 HydrophobicContact CG1-CD2 4.26Å; V79-Y108 HydrophobicContact CG1-CE1 3.84Å; V79-Y108 HydrophobicContact CG1-CE2 4.02Å; V79-Y108 HydrophobicContact CG1-CG 4.31Å; L95-Y108 HydrophobicContact CD2-CG 4.45Å; K96-Y108 CarbonylContact O-C 3.53Å; Q97-Y108 HydrophobicContact CB-CD1 4.39Å; Q97-Y108 HydrophobicContact CB-CE1 4.29Å; Q97-Y108 HydrophobicContact CG-CE1 4.26Å; E106-Y108 HydrophobicContact CB-CE2 3.79Å; E106-Y108 PolarHBondContact OE2-OH 3.45Å; Y108-V110 PolarHBondContact O-N 2.91Å
109	K	95.3	Very high	91.5	Very high	94 Å²	94	61.4 Å²	61.4	41%	0.409	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.3	171.1	-172.3	178.2	-171.4	175	0	108.3	N63 K96 T98	N63-K109 HydrophobicContact CB-CG 4.01Å; N63-K109 WeakPolarHBondContact ND2-CE 3.21Å; N63-K109 WeakPolarHBondContact OD1-CE 3.43Å; K96-K109 PolarHBondContact N-O 3.11Å; K96-K109 PolarHBondContact O-N 2.97Å; T98-K109 HydrophobicContact CG2-CB 4.29Å
110	V	95.3	Very high	91.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.1	-179.2	-171.3	0	0	0	0	108.9	N63 F64 L66 A81 L93 E94 L95 Y108	N63-V110 CarbonylContact C-O 3.53Å; N63-V110 WeakPolarHBondContact CA-O 3.48Å; N63-V110 VanDerWaalsContact CB-O 3.26Å; N63-V110 WeakPolarHBondContact CB-O 3.46Å; F64-V110 HydrophobicContact CD1-CB 3.89Å; F64-V110 HydrophobicContact CD1-CG1 4.32Å; F64-V110 HydrophobicContact CE1-CB 3.43Å; F64-V110 VanDerWaalsContact CE1-CB 3.43Å; F64-V110 HydrophobicContact CE1-CG1 3.49Å; F64-V110 VanDerWaalsContact CE1-CG1 3.49Å; F64-V110 HydrophobicContact CE1-CG2 4.06Å; F64-V110 HydrophobicContact CE2-CB 4.21Å; F64-V110 HydrophobicContact CE2-CG2 3.95Å; F64-V110 HydrophobicContact CG-CB 4.46Å; F64-V110 HydrophobicContact CZ-CB 3.59Å; F64-V110 HydrophobicContact CZ-CG1 3.74Å; F64-V110 HydrophobicContact CZ-CG2 3.65Å; F64-V110 PolarHBondContact N-O 3.1Å; F64-V110 VanDerWaalsContact N-O 3.08Å; F64-V110 PolarHBondContact O-N 2.97Å; L66-V110 HydrophobicContact CB-CG2 4.06Å; L66-V110 HydrophobicContact CD1-CG2 4.45Å; A81-V110 HydrophobicContact CB-CG1 3.82Å; A81-V110 HydrophobicContact CB-CG2 4.37Å; L93-V110 HydrophobicContact CB-CG1 3.58Å; L93-V110 HydrophobicContact CD1-CG1 3.49Å; L93-V110 VanDerWaalsContact CD1-CG1 3.49Å; L93-V110 HydrophobicContact CG-CG1 4.19Å; E94-V110 WeakPolarHBondContact O-CA 3.24Å; L95-V110 HydrophobicContact CD2-CG2 4.17Å; L95-V110 HydrophobicContact CG-CG2 4.09Å; Y108-V110 PolarHBondContact O-N 2.91Å
111	Q	94.4	Very high	91.9	Very high	100 Å²	100	61.7 Å²	61.7	47%	0.467	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.9	178.6	-174.3	164.4	-26.6	0	0	110.6	E94	E94-Q111 HydrophobicContact CB-CB 4.37Å; E94-Q111 PolarHBondContact O-N 3.18Å
112	L	92	Very high	92.4	Very high	8 Å²	8	55 Å²	55	4%	0.042	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	147.9	177.9	-62.5	178.7	0	0	0	110.6	H62 F64 L93 S114 L116 L122	H62-L112 WeakPolarHBondContact O-CB 3.39Å; H62-L112 PolarHBondContact O-N 2.91Å; F64-L112 HydrophobicContact CD1-CD2 3.64Å; F64-L112 HydrophobicContact CD1-CG 4.29Å; F64-L112 HydrophobicContact CE1-CD2 3.8Å; L93-L112 HydrophobicContact CD1-CD2 4.44Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 WeakPolarHBondContact CB-O 3.4Å; L112-S114 PolarHBondContact O-N 3.39Å; L112-L116 HydrophobicContact CD1-CB 3.93Å; L112-L122 HydrophobicContact CD1-CD2 4.42Å; L112-L122 HydrophobicContact CD2-CD2 3.67Å
113	P	89.3	Confident	92.9	Very high	92 Å²	92	55.7 Å²	55.7	60%	0.597	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	-35.9	179.3	-19.7	32.1	0	0	0	112.5	V83 L93	V83-P113 HydrophobicContact CG2-CG 3.88Å; L93-P113 HydrophobicContact CD2-CG 3.56Å
114	S	90.7	Very high	93.2	Very high	89 Å²	89	52.3 Å²	52.3	62%	0.622	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.4	174.9	62.1	0	0	0	0	110.2	L112 L116	L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 WeakPolarHBondContact CB-O 3.4Å; L112-S114 PolarHBondContact O-N 3.39Å; S114-L116 PolarHBondContact O-N 2.83Å
115	S	91.2	Very high	93.6	Very high	57 Å²	57	52.6 Å²	52.6	40%	0.399	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	125.9	179.2	59.7	0	0	0	0	110.9	V61 H62 G117	V61-S115 CarbonylContact O-C 3.6Å; V61-S115 WeakPolarHBondContact O-CA 3.48Å; H62-S115 VanDerWaalsContact CE1-CB 3.45Å; H62-S115 WeakPolarHBondContact CE1-CB 3.39Å; S115-G117 PolarHBondContact O-N 3.09Å; S115-G117 VanDerWaalsContact O-N 3.16Å
116	L	92.5	Very high	93.9	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.068	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	103.3	173.3	-170.9	64.4	0	0	0	109.3	L29 L53 N55 A60 V61 L112 S114 A120 L122	L29-L116 HydrophobicContact CD2-CD2 4.2Å; L53-L116 HydrophobicContact CD2-CD2 4.19Å; L53-L116 HydrophobicContact CG-CD2 4.28Å; N55-L116 HydrophobicContact CB-CD2 3.95Å; N55-L116 HydrophobicContact CB-CG 3.97Å; N55-L116 PolarHBondContact ND2-O 2.78Å; A60-L116 WeakPolarHBondContact CA-O 3.36Å; V61-L116 PolarHBondContact N-O 2.82Å; V61-L116 PolarHBondContact O-N 3.06Å; L112-L116 HydrophobicContact CD1-CB 3.93Å; S114-L116 PolarHBondContact O-N 2.83Å; L116-A120 HydrophobicContact CD1-CB 3.7Å; L116-A120 HydrophobicContact CG-CB 4.33Å; L116-L122 HydrophobicContact CD1-CB 3.86Å
117	G	92.6	Very high	94	Very high	27 Å²	27	51.4 Å²	51.4	28%	0.278	29%	0.289	S	S	.	.			trans	-63	162.7	178.4	0	0	0	0	0	113.4	N55 S115 G119 A120	N55-G117 WeakPolarHBondContact CB-O 3.26Å; N55-G117 PolarHBondContact ND2-O 3.23Å; S115-G117 PolarHBondContact O-N 3.09Å; S115-G117 VanDerWaalsContact O-N 3.16Å; G117-G119 PolarHBondContact O-N 3.29Å; G117-A120 WeakPolarHBondContact O-CB 3.19Å; G117-A120 PolarHBondContact O-N 2.91Å; G117-A120 VanDerWaalsContact O-N 3.07Å
118	V	92.6	Very high	94.1	Very high	87 Å²	87	51.9 Å²	51.9	53%	0.527	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131.9	177.7	178.1	0	0	0	0	110.4	G57 A120	G57-V118 WeakPolarHBondContact O-CG1 3.22Å; G57-V118 WeakPolarHBondContact O-CG2 3.35Å; V118-A120 PolarHBondContact O-N 2.91Å
119	G	91.1	Very high	94.2	Very high	45 Å²	45	50.5 Å²	50.5	46%	0.464	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-9.6	-175.5	0	0	0	0	0	114.9	N55 G117	N55-G119 VanDerWaalsContact O-CA 3.29Å; N55-G119 WeakPolarHBondContact O-CA 3.38Å; N55-G119 PolarHBondContact O-N 3.1Å; G117-G119 PolarHBondContact O-N 3.29Å
120	A	93.9	Very high	94.3	Very high	39 Å²	39	46 Å²	46	32%	0.322	27%	0.267	S	S	.	.			trans	-73.3	159.7	178.9	0	0	0	0	0	111.6	S54 N55 L116 G117 V118	S54-A120 WeakPolarHBondContact CA-O 3.35Å; N55-A120 PolarHBondContact N-O 3.41Å; N55-A120 VanDerWaalsContact N-O 3.1Å; L116-A120 HydrophobicContact CD1-CB 3.7Å; L116-A120 HydrophobicContact CG-CB 4.33Å; G117-A120 WeakPolarHBondContact O-CB 3.19Å; G117-A120 PolarHBondContact O-N 2.91Å; G117-A120 VanDerWaalsContact O-N 3.07Å; V118-A120 PolarHBondContact O-N 2.91Å
121	K	94.4	Very high	94.5	Very high	112 Å²	112	46.1 Å²	46.1	49%	0.487	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.7	179.5	-60.3	-173.8	177.4	-171.8	0	110.1	E32 L52 L53	E32-K121 IonicContact OE1-NZ 3.67Å; E32-K121 PolarHBondContact OE1-NZ 2.8Å; E32-K121 VanDerWaalsContact OE1-NZ 3.15Å; L52-K121 HydrophobicContact CD1-CB 4.1Å; L52-K121 HydrophobicContact CD2-CD 4.45Å; L53-K121 CarbonylContact O-C 3.6Å; L53-K121 VanDerWaalsContact O-CA 3.24Å; L53-K121 WeakPolarHBondContact O-CA 3.38Å
122	L	94.8	Very high	94.6	Very high	47 Å²	47	44.3 Å²	44.3	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.7	177	178.6	65.8	0	0	0	109.1	L53 V83 L112 L116 V124	L53-L122 PolarHBondContact N-O 3.11Å; L53-L122 PolarHBondContact O-N 3.48Å; V83-L122 HydrophobicContact CG1-CD1 4.26Å; V83-L122 HydrophobicContact CG1-CD2 4.21Å; V83-L122 HydrophobicContact CG1-CG 4.35Å; L112-L122 HydrophobicContact CD1-CD2 4.42Å; L112-L122 HydrophobicContact CD2-CD2 3.67Å; L116-L122 HydrophobicContact CD1-CB 3.86Å; L122-V124 HydrophobicContact CD2-CG2 3.98Å; L122-V124 HydrophobicContact CG-CG2 4.02Å
123	R	95.6	Very high	94.8	Very high	96 Å²	96	44.4 Å²	44.4	36%	0.362	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.6	172.7	-172.4	171.3	-67.7	-89.8	-8.4	108.5	E33 E50 I51 L52	E33-R123 IonicContact OE2-CZ 3.53Å; E33-R123 IonicContact OE2-NH1 3.5Å; E33-R123 IonicContact OE2-NH2 3.31Å; E33-R123 PolarHBondContact OE2-NH2 3.42Å; E50-R123 IonicContact OE2-NH1 2.87Å; E50-R123 PolarHBondContact OE2-NH1 2.85Å; I51-R123 WeakPolarHBondContact O-CA 3.4Å; L52-R123 HydrophobicContact CD1-CB 4.46Å
124	V	95.9	Very high	95.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.8	177	-173.5	0	0	0	0	108.2	I51 F64 A81 S82 V83 L93 L122 V126	I51-V124 PolarHBondContact N-O 3.02Å; I51-V124 PolarHBondContact O-N 2.66Å; F64-V124 HydrophobicContact CE1-CG1 4.07Å; F64-V124 HydrophobicContact CE1-CG2 4.21Å; F64-V124 HydrophobicContact CZ-CB 4.43Å; F64-V124 HydrophobicContact CZ-CG1 3.74Å; F64-V124 HydrophobicContact CZ-CG2 4.47Å; A81-V124 HydrophobicContact CB-CG1 4.39Å; S82-V124 WeakPolarHBondContact O-CG1 3.32Å; V83-V124 HydrophobicContact CG1-CG2 4.12Å; L93-V124 HydrophobicContact CD1-CG1 4.15Å; L122-V124 HydrophobicContact CD2-CG2 3.98Å; L122-V124 HydrophobicContact CG-CG2 4.02Å; V124-V126 HydrophobicContact CG1-CG2 4.41Å
125	K	96.7	Very high	95.5	Very high	78 Å²	78	43.1 Å²	43.1	34%	0.339	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.5	173.6	-177.3	-178.7	172.7	-170.9	0	108	T48 A81 S82 D90	T48-K125 HydrophobicContact CG2-CG 4Å; A81-K125 CarbonylContact C-O 3.59Å; A81-K125 WeakPolarHBondContact CA-O 3.27Å; S82-K125 PolarHBondContact N-O 3.35Å; S82-K125 PolarHBondContact O-N 3.13Å; D90-K125 WeakPolarHBondContact OD2-CD 3.35Å; D90-K125 IonicContact OD2-NZ 3.7Å; D90-K125 PolarHBondContact OD2-NZ 2.97Å
126	V	97	Very high	95.8	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.6	177.8	171.6	0	0	0	0	108.1	T48 A49 I51 L66 G80 A81 V124	T48-V126 CarbonylContact C-O 3.56Å; T48-V126 VanDerWaalsContact CA-O 3.26Å; T48-V126 WeakPolarHBondContact CA-O 3.42Å; A49-V126 HydrophobicContact CB-CB 4.39Å; A49-V126 PolarHBondContact N-O 2.79Å; A49-V126 PolarHBondContact O-N 2.65Å; I51-V126 HydrophobicContact CD1-CG2 4.06Å; L66-V126 HydrophobicContact CD1-CB 4.23Å; L66-V126 HydrophobicContact CD1-CG1 3.38Å; L66-V126 HydrophobicContact CD1-CG2 3.8Å; L66-V126 HydrophobicContact CG-CG1 4.14Å; G80-V126 WeakPolarHBondContact O-CA 3.42Å; A81-V126 HydrophobicContact CB-CG2 4.41Å; V124-V126 HydrophobicContact CG1-CG2 4.41Å
127	E	97.3	Very high	96	Very high	52 Å²	52	46.9 Å²	46.9	24%	0.243	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.8	173.3	-174.4	179.2	176.5	0	0	109.4	I47 Y78 V79 G80 Q414	I47-E127 CarbonylContact O-C 3.59Å; I47-E127 WeakPolarHBondContact O-CA 3.48Å; Y78-E127 HydrophobicContact CE1-CB 4.42Å; Y78-E127 HydrophobicContact CE1-CG 4.37Å; V79-E127 WeakPolarHBondContact CA-O 3.3Å; G80-E127 PolarHBondContact N-O 2.85Å; G80-E127 PolarHBondContact O-N 2.87Å; E127-Q414 PolarHBondContact OE1-NE2 3.2Å
128	T	97.7	Very high	96.3	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.3	177.2	-55.7	0	0	0	0	108.4	K46 I47 L76 Y78 L130	K46-T128 CarbonylContact C-O 3.53Å; I47-T128 PolarHBondContact N-O 3.05Å; I47-T128 PolarHBondContact O-N 2.79Å; L76-T128 HydrophobicContact CD1-CG2 3.37Å; Y78-T128 CarbonylContact O-C 3.5Å; Y78-T128 WeakPolarHBondContact O-CA 3.49Å; T128-L130 HydrophobicContact CG2-CD2 3.95Å; T128-L130 HydrophobicContact CG2-CG 4.4Å
129	V	98.3	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.9	176.7	-175.2	0	0	0	0	108.8	L44 K46 A77 Y78 V412	L44-V129 HydrophobicContact CB-CG1 4.38Å; L44-V129 HydrophobicContact CD1-CG1 4.05Å; K46-V129 HydrophobicContact CG-CG1 4.42Å; K46-V129 HydrophobicContact CG-CG2 4.42Å; A77-V129 PolarHBondContact N-O 3.33Å; Y78-V129 HydrophobicContact CD1-CG2 4.2Å; Y78-V129 PolarHBondContact N-O 2.86Å; Y78-V129 PolarHBondContact O-N 2.87Å; V129-V412 HydrophobicContact CB-CG2 4.43Å; V129-V412 HydrophobicContact CG1-CB 4.45Å; V129-V412 HydrophobicContact CG1-CG1 4.04Å; V129-V412 HydrophobicContact CG1-CG2 4.32Å
130	L	98.2	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.8	179.1	-51.5	172.7	0	0	0	109.6	A45 I47 L72 H75 L76 T128 I133	A45-L130 HydrophobicContact CB-CB 4.24Å; A45-L130 HydrophobicContact CB-CD1 4.44Å; A45-L130 PolarHBondContact N-O 3.46Å; A45-L130 PolarHBondContact O-N 3.37Å; I47-L130 HydrophobicContact CD1-CD1 3.87Å; L72-L130 HydrophobicContact CB-CD1 4.1Å; L72-L130 HydrophobicContact CB-CD2 4.3Å; L72-L130 HydrophobicContact CD1-CD1 3.66Å; L72-L130 HydrophobicContact CD2-CD1 4.19Å; L72-L130 HydrophobicContact CG-CD1 4.2Å; H75-L130 HydrophobicContact CB-CB 4.48Å; H75-L130 CarbonylContact O-C 3.59Å; H75-L130 VanDerWaalsContact O-CA 3.25Å; H75-L130 WeakPolarHBondContact O-CA 3.49Å; L76-L130 HydrophobicContact CB-CD2 4.35Å; L76-L130 HydrophobicContact CD1-CD2 3.99Å; T128-L130 HydrophobicContact CG2-CD2 3.95Å; T128-L130 HydrophobicContact CG2-CG 4.4Å; L130-I133 HydrophobicContact CB-CB 4.39Å; L130-I133 HydrophobicContact CB-CG2 3.98Å
131	S	97.4	Very high	97	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.021	23%	0.23	C	C	.	.	S	Bend	trans	-98.2	153	174.8	60.7	0	0	0	0	111	H75 I133 N410	H75-S131 VanDerWaalsContact CB-O 3.29Å; H75-S131 WeakPolarHBondContact CB-O 3.33Å; H75-S131 PolarHBondContact ND1-O 2.75Å; H75-S131 PolarHBondContact O-N 2.64Å; H75-S131 PolarHBondContact O-OG 2.8Å; S131-I133 PolarHBondContact O-N 2.84Å; S131-N410 WeakPolarHBondContact CB-OD1 3.31Å; S131-N410 PolarHBondContact OG-ND2 2.92Å; S131-N410 PolarHBondContact OG-OD1 2.85Å
132	H	97.1	Very high	97.1	Very high	61 Å²	61	45.9 Å²	45.9	28%	0.282	22%	0.221	S	C	.	.	S	Bend	trans	56.9	20.2	173.1	-56.5	-60.2	0	0	0	116.2	H75 T221 D361	H75-H132 PolarHBondContact CE1-O 2.69Å; H75-H132 VanDerWaalsContact CE1-O 3.22Å; H75-H132 PolarHBondContact ND1-O 2.8Å; H132-T221 PolarHBondContact CE1-OG1 3.02Å; H132-D361 IonicContact CD2-OD1 3.95Å; H132-D361 IonicContact CE1-OD1 3.21Å; H132-D361 PolarHBondContact CE1-OD1 2.91Å; H132-D361 IonicContact NE2-OD1 3.67Å; H132-D361 PolarHBondContact NE2-OD1 3.08Å
133	I	96.8	Very high	97.1	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	21%	0.213	C	C	.	.			trans	-90.1	-26.5	-178.3	-167.5	63.6	0	0	0	112.8	A45 L72 H75 L130 S131 R135 F151	A45-I133 HydrophobicContact CB-CG2 3.57Å; L72-I133 HydrophobicContact CD2-CD1 3.71Å; L72-I133 HydrophobicContact CD2-CG1 4.09Å; H75-I133 HydrophobicContact CB-CB 4.41Å; H75-I133 HydrophobicContact CB-CD1 4.38Å; L130-I133 HydrophobicContact CB-CB 4.39Å; L130-I133 HydrophobicContact CB-CG2 3.98Å; S131-I133 PolarHBondContact O-N 2.84Å; I133-R135 PolarHBondContact O-N 2.95Å; I133-F151 HydrophobicContact CG1-CD2 4.14Å; I133-F151 HydrophobicContact CG1-CE2 3.91Å; I133-F151 HydrophobicContact CG2-CD2 4.16Å; I133-F151 HydrophobicContact CG2-CE2 4.05Å
134	L	97.6	Very high	97	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.058	22%	0.22	C	C	.	.			trans	-79.9	115.8	177.4	-64.5	-178.1	0	0	0	110.5	L40 T42 F151 F219	L40-L134 HydrophobicContact CD2-CD2 4.32Å; T42-L134 WeakPolarHBondContact O-CD1 3.5Å; L134-F151 HydrophobicContact CD2-CB 3.64Å; L134-F151 HydrophobicContact CD2-CD2 3.85Å; L134-F151 HydrophobicContact CD2-CG 4.15Å; L134-F219 HydrophobicContact CB-CE1 4.09Å; L134-F219 HydrophobicContact CB-CZ 4.39Å; L134-F219 HydrophobicContact CD1-CZ 4.16Å
135	R	97.1	Very high	96.9	Very high	144 Å²	144	47.1 Å²	47.1	54%	0.543	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.5	-176.5	-64.1	-176.4	-176.5	175.5	3.2	111	I133 F137 V149 V150	I133-R135 PolarHBondContact O-N 2.95Å; R135-F137 PolarHBondContact O-N 2.99Å; R135-V149 CarbonylContact O-C 3.58Å; R135-V149 WeakPolarHBondContact O-CA 3.29Å; R135-V150 PolarHBondContact N-O 3.31Å; R135-V150 PolarHBondContact O-N 2.94Å
136	P	97.8	Very high	96.9	Very high	25 Å²	25	49.4 Å²	49.4	16%	0.162	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	129.6	174	-21	31.5	0	0	0	111.8	P138 T139 L148 A250	P136-P138 CarbonylContact C-O 3.37Å; P136-T139 WeakPolarHBondContact O-CG2 3.44Å; P136-L148 WeakPolarHBondContact CA-O 3.1Å; P136-A250 HydrophobicContact CB-CB 3.83Å
137	F	97.4	Very high	96.9	Very high	123 Å²	123	49 Å²	49	54%	0.539	25%	0.245	S	C	.	.	S	Bend	trans	-144.9	98.9	178.1	-170.2	-103.5	0	0	0	109.7	R135 L148 V150 H212	R135-F137 PolarHBondContact O-N 2.99Å; F137-L148 PolarHBondContact N-O 2.96Å; F137-L148 WeakPolarHBondContact O-CB 3.44Å; F137-V150 HydrophobicContact CB-CG2 3.65Å; F137-V150 HydrophobicContact CD1-CG2 4.23Å; F137-V150 HydrophobicContact CG-CG2 4.15Å; F137-H212 AromaticContact CD1-CE1 3.61Å; F137-H212 AromaticContact CD1-NE2 3.74Å; F137-H212 PolarHBondContact O-NE2 3.33Å
138	P	97.4	Very high	97	Very high	61 Å²	61	47.9 Å²	47.9	40%	0.396	24%	0.24	S	C	.	.	S	Bend	cis	-72	156.3	12.8	30.8	-36.7	0	0	0	114	P136 H140 I141	P136-P138 CarbonylContact C-O 3.37Å; P138-H140 PolarHBondContact O-N 3.48Å; P138-I141 HydrophobicContact CG-CG2 3.92Å
139	T	97.4	Very high	97	Very high	81 Å²	81	47.2 Å²	47.2	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-74.1	-16.9	178.5	54.6	0	0	0	0	113.4	P136 F251	P136-T139 WeakPolarHBondContact O-CG2 3.44Å; T139-F251 PolarHBondContact O-N 3.19Å
140	H	98.1	Very high	97	Very high	93 Å²	93	47.8 Å²	47.8	43%	0.431	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.6	-177.9	-69	74	0	0	0	109.3	P138 F251 K253	P138-H140 PolarHBondContact O-N 3.48Å; H140-F251 CarbonylContact C-O 3.53Å; H140-F251 VanDerWaalsContact CA-O 3.26Å; H140-F251 WeakPolarHBondContact CA-O 3.44Å; H140-K253 HydrophobicContact CB-CB 4.17Å; H140-K253 HydrophobicContact CB-CD 4.42Å
141	I	97.5	Very high	97	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.3	178.9	61	174.9	0	0	0	110.3	P138 E145 Q147 A250 F251 L252 K253	P138-I141 HydrophobicContact CG-CG2 3.92Å; I141-E145 WeakPolarHBondContact CA-OE2 3.35Å; I141-E145 HydrophobicContact CB-CB 3.94Å; I141-E145 HydrophobicContact CG2-CB 4.39Å; I141-Q147 HydrophobicContact CD1-CB 4.13Å; I141-A250 HydrophobicContact CB-CB 4.3Å; I141-A250 HydrophobicContact CD1-CB 3.78Å; I141-A250 HydrophobicContact CG1-CB 3.66Å; I141-A250 HydrophobicContact CG2-CB 3.87Å; I141-F251 PolarHBondContact N-O 2.83Å; I141-L252 CarbonylContact O-C 3.57Å; I141-L252 WeakPolarHBondContact O-CA 3.36Å; I141-K253 PolarHBondContact O-N 2.82Å
142	T	96.2	Very high	97	Very high	50 Å²	50	52.3 Å²	52.3	31%	0.307	26%	0.26	S	S	.	.			trans	-72	166.5	171	69	0	0	0	0	110.8	A144 E145 K253	T142-A144 PolarHBondContact O-N 3.36Å; T142-A144 VanDerWaalsContact O-N 3.07Å; T142-E145 PolarHBondContact N-OE2 2.63Å; T142-E145 PolarHBondContact O-N 2.8Å; T142-E145 VanDerWaalsContact O-N 3.12Å; T142-E145 VanDerWaalsContact OG1-CD 3.31Å; T142-E145 VanDerWaalsContact OG1-CG 3.31Å; T142-E145 WeakPolarHBondContact OG1-CG 3.4Å; T142-E145 PolarHBondContact OG1-OE2 3.22Å; T142-K253 HydrophobicContact CG2-CB 4.44Å
143	Q	94.5	Very high	96.9	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.075	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.7	-179	-168.8	-178.6	-44.8	0	0	114.2	L252 S257 S267 G268 F318	Q143-L252 HydrophobicContact CB-CD1 4.13Å; Q143-S257 PolarHBondContact NE2-O 2.82Å; Q143-S257 PolarHBondContact OE1-O 3.21Å; Q143-S267 WeakPolarHBondContact CG-OG 3.47Å; Q143-S267 PolarHBondContact NE2-OG 3.04Å; Q143-G268 WeakPolarHBondContact O-CA 3.26Å; Q143-G268 PolarHBondContact O-N 3.11Å; Q143-F318 HydrophobicContact CB-CE1 4.47Å; Q143-F318 HydrophobicContact CG-CE1 3.81Å; Q143-F318 HydrophobicContact CG-CZ 3.77Å
144	A	93.6	Very high	96.9	Very high	62 Å²	62	50.1 Å²	50.1	51%	0.512	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-5.2	-177	0	0	0	0	0	113.8	T142	T142-A144 PolarHBondContact O-N 3.36Å; T142-A144 VanDerWaalsContact O-N 3.07Å
145	E	95	Very high	96.8	Very high	93 Å²	93	49.7 Å²	49.7	44%	0.435	25%	0.252	S	S	.	.	S	Bend	trans	-85.5	151.7	-179	-79.9	168.9	166.6	0	0	111.4	I141 T142	I141-E145 WeakPolarHBondContact CA-OE2 3.35Å; I141-E145 HydrophobicContact CB-CB 3.94Å; I141-E145 HydrophobicContact CG2-CB 4.39Å; T142-E145 PolarHBondContact N-OE2 2.63Å; T142-E145 PolarHBondContact O-N 2.8Å; T142-E145 VanDerWaalsContact O-N 3.12Å; T142-E145 VanDerWaalsContact OG1-CD 3.31Å; T142-E145 VanDerWaalsContact OG1-CG 3.31Å; T142-E145 WeakPolarHBondContact OG1-CG 3.4Å; T142-E145 PolarHBondContact OG1-OE2 3.22Å
146	R	95.7	Very high	96.7	Very high	125 Å²	125	45.1 Å²	45.1	47%	0.472	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-87.5	147.5	174.8	-72.5	163.2	174.8	-103.2	-1.1	110.1	E214 N216 I269	R146-E214 HydrophobicContact CB-CG 4.26Å; R146-E214 VanDerWaalsContact CD-OE1 3.23Å; R146-E214 WeakPolarHBondContact CD-OE1 3.31Å; R146-E214 IonicContact CZ-OE1 3.7Å; R146-E214 IonicContact NE-OE1 3.05Å; R146-E214 IonicContact NH1-OE1 3.83Å; R146-E214 PolarHBondContact NH1-OE1 2.89Å; R146-E214 IonicContact NH1-OE2 3.59Å; R146-N216 WeakPolarHBondContact CA-OD1 3.28Å; R146-I269 HydrophobicContact CG-CD1 4.13Å
147	Q	97.3	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-81.4	127.3	178.1	-179.1	175.4	-81.7	0	0	110.6	I141 V149 E214 N215 N216 F219 A250	I141-Q147 HydrophobicContact CD1-CB 4.13Å; Q147-V149 HydrophobicContact CG-CG1 4.02Å; Q147-E214 WeakPolarHBondContact O-CA 3.5Å; Q147-N215 WeakPolarHBondContact CB-O 3.36Å; Q147-N215 WeakPolarHBondContact CG-O 2.94Å; Q147-N215 PolarHBondContact NE2-O 2.9Å; Q147-N215 PolarHBondContact O-N 2.95Å; Q147-N216 PolarHBondContact N-OD1 2.95Å; Q147-F219 VanDerWaalsContact NE2-CD2 3.33Å; Q147-F219 VanDerWaalsContact NE2-CE2 3.26Å; Q147-A250 HydrophobicContact CG-CB 4.26Å
148	L	98.1	Very high	96.5	Very high	28 Å²	28	39.6 Å²	39.6	15%	0.147	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.6	169.8	-63.3	173	0	0	0	108.9	P136 F137 E178 Y213 E214	P136-L148 WeakPolarHBondContact CA-O 3.1Å; F137-L148 PolarHBondContact N-O 2.96Å; F137-L148 WeakPolarHBondContact O-CB 3.44Å; L148-E178 HydrophobicContact CD1-CG 3.92Å; L148-E178 HydrophobicContact CD2-CG 4.07Å; L148-Y213 CarbonylContact C-O 3.57Å; L148-Y213 VanDerWaalsContact CA-O 3.31Å; L148-Y213 WeakPolarHBondContact CA-O 3.49Å; L148-E214 HydrophobicContact CD2-CB 3.7Å; L148-E214 HydrophobicContact CD2-CG 4.28Å
149	V	98.3	Very high	96.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.4	-179.6	-57.2	0	0	0	0	111.3	R135 Q147 H212 Y213 N215 F219	R135-V149 CarbonylContact O-C 3.58Å; R135-V149 WeakPolarHBondContact O-CA 3.29Å; Q147-V149 HydrophobicContact CG-CG1 4.02Å; V149-H212 WeakPolarHBondContact O-CA 3.2Å; V149-H212 PolarHBondContact O-CD2 2.76Å; V149-Y213 HydrophobicContact CG2-CD1 4.1Å; V149-Y213 HydrophobicContact CG2-CE1 3.48Å; V149-Y213 VanDerWaalsContact CG2-CE1 3.48Å; V149-Y213 HydrophobicContact CG2-CE2 4.14Å; V149-Y213 VanDerWaalsContact CG2-CZ 3.48Å; V149-Y213 PolarHBondContact N-O 2.85Å; V149-Y213 PolarHBondContact O-N 3.42Å; V149-N215 HydrophobicContact CG1-CB 4.4Å; V149-N215 HydrophobicContact CG2-CB 3.72Å; V149-F219 HydrophobicContact CG1-CE1 4.06Å; V149-F219 HydrophobicContact CG1-CZ 3.84Å
150	V	98.3	Very high	96.3	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.1	177.5	174.1	0	0	0	0	109	R135 F137 Q152 K210 V211 H212	R135-V150 PolarHBondContact N-O 3.31Å; R135-V150 PolarHBondContact O-N 2.94Å; F137-V150 HydrophobicContact CB-CG2 3.65Å; F137-V150 HydrophobicContact CD1-CG2 4.23Å; F137-V150 HydrophobicContact CG-CG2 4.15Å; V150-Q152 HydrophobicContact CG1-CG 4.12Å; V150-K210 HydrophobicContact CG1-CD 4.36Å; V150-K210 VanDerWaalsContact CG1-CE 3.49Å; V150-K210 HydrophobicContact CG1-CG 3.97Å; V150-V211 WeakPolarHBondContact CA-O 3.1Å; V150-H212 HydrophobicContact CG2-CB 3.96Å
151	F	98.3	Very high	96.1	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.4	165.2	178.9	-110	0	0	0	109.8	V38 L40 A45 I133 L134 M209 K210 V211	V38-F151 HydrophobicContact CG1-CE1 4.01Å; V38-F151 HydrophobicContact CG1-CZ 4.18Å; L40-F151 HydrophobicContact CD1-CB 3.68Å; L40-F151 HydrophobicContact CD1-CD1 3.64Å; L40-F151 HydrophobicContact CD1-CD2 4.42Å; L40-F151 HydrophobicContact CD1-CE1 4.39Å; L40-F151 HydrophobicContact CD1-CG 3.65Å; L40-F151 HydrophobicContact CD2-CD1 4.2Å; L40-F151 HydrophobicContact CD2-CD2 3.85Å; L40-F151 HydrophobicContact CD2-CE1 4.39Å; L40-F151 HydrophobicContact CD2-CE2 4.06Å; L40-F151 HydrophobicContact CD2-CG 3.93Å; L40-F151 HydrophobicContact CD2-CZ 4.32Å; L40-F151 HydrophobicContact CG-CG 4.47Å; A45-F151 HydrophobicContact CB-CD2 4.29Å; A45-F151 HydrophobicContact CB-CE2 3.78Å; A45-F151 HydrophobicContact CB-CZ 4.49Å; I133-F151 HydrophobicContact CG1-CD2 4.14Å; I133-F151 HydrophobicContact CG1-CE2 3.91Å; I133-F151 HydrophobicContact CG2-CD2 4.16Å; I133-F151 HydrophobicContact CG2-CE2 4.05Å; L134-F151 HydrophobicContact CD2-CB 3.64Å; L134-F151 HydrophobicContact CD2-CD2 3.85Å; L134-F151 HydrophobicContact CD2-CG 4.15Å; F151-M209 HydrophobicContact CD1-CE 4.33Å; F151-M209 HydrophobicContact CE1-CE 3.75Å; F151-K210 WeakPolarHBondContact O-CA 3.43Å; F151-V211 PolarHBondContact N-O 3.47Å; F151-V211 PolarHBondContact O-N 2.97Å
152	Q	97.1	Very high	96	Very high	97 Å²	97	31.7 Å²	31.7	45%	0.453	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.5	172.4	-69.9	179	-44.6	0	0	108.2	V150 M209 K210	V150-Q152 HydrophobicContact CG1-CG 4.12Å; Q152-M209 WeakPolarHBondContact CA-O 3.31Å; Q152-K210 HydrophobicContact CG-CG 4.2Å
153	G	95.8	Very high	96.1	Very high	14 Å²	14	29.5 Å²	29.5	14%	0.144	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	-161.5	178.6	0	0	0	0	0	110.9	M209	G153-M209 PolarHBondContact N-O 2.72Å; G153-M209 WeakPolarHBondContact O-CA 3.24Å; G153-M209 PolarHBondContact O-N 3.15Å
154	N	95.8	Very high	96.2	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.053	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139	-178.8	-171.2	-0.4	0	0	0	112.1	R36 E69 Y156 S205 D207	R36-N154 PolarHBondContact NH1-O 3.22Å; R36-N154 VanDerWaalsContact NH1-O 3.1Å; R36-N154 PolarHBondContact NH2-O 3.27Å; E69-N154 WeakPolarHBondContact OE1-CB 3.29Å; N154-Y156 VanDerWaalsContact C-N 3.31Å; N154-Y156 PolarHBondContact ND2-O 2.92Å; N154-Y156 PolarHBondContact OD1-N 2.77Å; N154-S205 PolarHBondContact ND2-O 3.07Å; N154-D207 CarbonylContact C-O 3.55Å; N154-D207 WeakPolarHBondContact CA-O 3.44Å; N154-D207 PolarHBondContact OD1-N 2.89Å; N154-D207 PolarHBondContact OD1-O 3.25Å; N154-D207 VanDerWaalsContact OD1-O 3.09Å
155	H	96.2	Very high	96.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	16%	0.159	C	C	.	.	S	Bend	trans	-68.8	-29.3	171	-71.6	105.2	0	0	0	112.9	R36 Q166 T181 L183 Y195 D207 A208 M209	R36-H155 PolarHBondContact NH2-O 3.41Å; H155-Q166 PolarHBondContact O-NE2 2.93Å; H155-T181 PolarHBondContact CE1-OG1 3.26Å; H155-T181 VanDerWaalsContact CE1-OG1 3.23Å; H155-T181 WeakPolarHBondContact NE2-CB 3.11Å; H155-T181 PolarHBondContact NE2-OG1 2.86Å; H155-L183 HydrophobicContact CB-CD2 3.72Å; H155-Y195 AromaticContact CD2-CD1 3.64Å; H155-Y195 AromaticContact CD2-CE1 3.58Å; H155-Y195 AromaticContact NE2-CE1 3.48Å; H155-Y195 WeakPolarHBondContact NE2-CE1 3.46Å; H155-D207 HydrophobicContact CB-CB 4.41Å; H155-D207 IonicContact CE1-OD2 2.65Å; H155-D207 PolarHBondContact CE1-OD2 3.31Å; H155-D207 IonicContact CG-OD2 3.83Å; H155-D207 PolarHBondContact N-O 2.91Å; H155-D207 PolarHBondContact ND1-O 2.88Å; H155-D207 IonicContact ND1-OD2 3.89Å; H155-D207 PolarHBondContact ND1-OD2 3.07Å; H155-A208 PolarHBondContact CE1-O 3.01Å; H155-A208 PolarHBondContact ND1-O 3.05Å; H155-M209 WeakPolarHBondContact CE1-CA 3.5Å; H155-M209 PolarHBondContact ND1-N 2.99Å
156	Y	95.9	Very high	96.4	Very high	49 Å²	49	28.8 Å²	28.8	19%	0.192	14%	0.139	C	C	.	.	S	Bend	trans	-98.6	156.2	179.4	-56.8	-60.2	0	0	0	111.3	R36 N154 Y158 L183 F198 V201 D207	R36-Y156 PolarHBondContact NH1-O 2.68Å; N154-Y156 VanDerWaalsContact C-N 3.31Å; N154-Y156 PolarHBondContact ND2-O 2.92Å; N154-Y156 PolarHBondContact OD1-N 2.77Å; Y156-Y158 PolarHBondContact O-N 3.47Å; Y156-L183 HydrophobicContact CE2-CD2 4.44Å; Y156-F198 HydrophobicContact CD1-CD2 4.08Å; Y156-F198 HydrophobicContact CD1-CG 4.29Å; Y156-F198 HydrophobicContact CE1-CB 4.05Å; Y156-F198 HydrophobicContact CE1-CD1 4.06Å; Y156-F198 AromaticContact CE1-CD2 3.93Å; Y156-F198 HydrophobicContact CE1-CD2 3.93Å; Y156-F198 HydrophobicContact CE1-CE1 4.49Å; Y156-F198 HydrophobicContact CE1-CE2 4.37Å; Y156-F198 AromaticContact CE1-CG 3.75Å; Y156-F198 HydrophobicContact CE1-CG 3.75Å; Y156-V201 HydrophobicContact CD1-CB 4.49Å; Y156-V201 HydrophobicContact CD1-CG1 3.77Å; Y156-V201 HydrophobicContact CD1-CG2 3.81Å; Y156-V201 HydrophobicContact CE1-CG1 4.4Å; Y156-V201 HydrophobicContact CE1-CG2 3.98Å; Y156-V201 HydrophobicContact CG-CG1 3.89Å; Y156-D207 HydrophobicContact CD2-CB 3.91Å; Y156-D207 HydrophobicContact CE2-CB 3.59Å
157	L	95.4	Very high	96.5	Very high	27 Å²	27	25.5 Å²	25.5	14%	0.141	13%	0.132	C	C	.	.			trans	-70.8	113.9	165.2	177.3	71.1	0	0	0	107.8	V34 A49 I51 S159	V34-L157 HydrophobicContact CB-CD2 4.48Å; V34-L157 HydrophobicContact CG1-CB 4.2Å; V34-L157 HydrophobicContact CG1-CD2 3.8Å; V34-L157 HydrophobicContact CG1-CG 4.49Å; V34-L157 HydrophobicContact CG2-CD2 3.85Å; A49-L157 HydrophobicContact CB-CD1 4.34Å; I51-L157 HydrophobicContact CD1-CD2 3.85Å; I51-L157 HydrophobicContact CG1-CD2 4.2Å; L157-S159 PolarHBondContact O-N 3.47Å; L157-S159 VanDerWaalsContact O-N 3.07Å
158	Y	95.4	Very high	96.6	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.02	13%	0.133	C	C	.	.			trans	-69.1	106	173.8	-171.3	-110.8	0	0	0	109.1	A67 E69 S104 F107 Y156 F204 E206	A67-Y158 HydrophobicContact CB-CD1 3.67Å; A67-Y158 HydrophobicContact CB-CE1 3.96Å; E69-Y158 HydrophobicContact CB-CD1 3.92Å; E69-Y158 HydrophobicContact CB-CD2 4.36Å; E69-Y158 HydrophobicContact CB-CE1 4.35Å; E69-Y158 HydrophobicContact CB-CG 3.9Å; S104-Y158 PolarHBondContact O-OH 2.87Å; F107-Y158 HydrophobicContact CE1-CE1 4.28Å; Y156-Y158 PolarHBondContact O-N 3.47Å; Y158-F204 HydrophobicContact CD2-CD1 4.41Å; Y158-F204 HydrophobicContact CE1-CD1 4.07Å; Y158-F204 HydrophobicContact CE1-CE1 4.46Å; Y158-F204 HydrophobicContact CE2-CB 3.93Å; Y158-F204 AromaticContact CE2-CD1 3.76Å; Y158-F204 HydrophobicContact CE2-CD1 3.76Å; Y158-F204 HydrophobicContact CE2-CG 4.35Å; Y158-F204 AromaticContact CZ-CD1 3.58Å; Y158-E206 HydrophobicContact CD2-CG 3.82Å; Y158-E206 HydrophobicContact CE2-CG 3.9Å; Y158-E206 WeakPolarHBondContact CE2-OE1 3.36Å
159	S	94.9	Very high	96.5	Very high	10 Å²	10	30.4 Å²	30.4	7%	0.07	15%	0.149	C	C	.	.			trans	-149	150.8	-177.1	83.5	0	0	0	0	112	N31 L157 Y161 F204	N31-S159 PolarHBondContact ND2-OG 3.04Å; N31-S159 VanDerWaalsContact ND2-OG 3.15Å; L157-S159 PolarHBondContact O-N 3.47Å; L157-S159 VanDerWaalsContact O-N 3.07Å; S159-Y161 PolarHBondContact O-N 2.97Å; S159-Y161 PolarHBondContact OG-O 2.85Å; S159-F204 PolarHBondContact O-N 2.83Å
160	P	94.1	Very high	96.5	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.039	15%	0.149	C	C	.	.	S	Bend	trans	-72.1	-5.7	176.9	29.4	-34.3	0	0	0	113.5	I65 I100 F204	I65-P160 HydrophobicContact CB-CG 4.07Å; I65-P160 HydrophobicContact CG2-CG 4.35Å; I100-P160 HydrophobicContact CD1-CB 4.36Å; P160-F204 HydrophobicContact CB-CE1 4.05Å; P160-F204 HydrophobicContact CB-CE2 3.9Å; P160-F204 HydrophobicContact CB-CZ 3.47Å; P160-F204 VanDerWaalsContact CB-CZ 3.47Å
161	Y	94.9	Very high	96.5	Very high	12 Å²	12	35.7 Å²	35.7	5%	0.047	17%	0.168	C	C	.	.	S	Bend	trans	-108.6	143.4	-174	-51.2	-61.4	0	0	0	110.8	A26 L29 F64 I65 S159	A26-Y161 HydrophobicContact CB-CD1 4.01Å; A26-Y161 HydrophobicContact CB-CE1 4.36Å; L29-Y161 HydrophobicContact CB-CD1 3.68Å; L29-Y161 HydrophobicContact CB-CE1 3.67Å; L29-Y161 HydrophobicContact CB-CG 4.26Å; L29-Y161 HydrophobicContact CD1-CE1 3.92Å; L29-Y161 HydrophobicContact CD1-CE2 4.42Å; L29-Y161 HydrophobicContact CG-CE1 4.37Å; F64-Y161 HydrophobicContact CB-CE2 4.21Å; F64-Y161 HydrophobicContact CD2-CE2 4.5Å; I65-Y161 PolarHBondContact N-OH 3.25Å; I65-Y161 WeakPolarHBondContact O-CE2 3.32Å; S159-Y161 PolarHBondContact O-N 2.97Å; S159-Y161 PolarHBondContact OG-O 2.85Å
162	P	96.1	Very high	96.5	Very high	46 Å²	46	35.7 Å²	35.7	30%	0.299	17%	0.168	S	C	.	.			trans	-65.1	141.5	172.7	28.4	-33	0	0	0	109.8	V30 N31 P203	V30-P162 HydrophobicContact CG1-CG 4.41Å; V30-P162 HydrophobicContact CG2-CG 4.16Å; N31-P162 PolarHBondContact N-O 2.98Å; P162-P203 HydrophobicContact CB-CG 4.27Å
163	T	96.7	Very high	96.5	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119	-178.9	-59.4	0	0	0	0	110.7	N31 V34 Q166 D200 V201	N31-T163 HydrophobicContact CB-CG2 4.06Å; N31-T163 WeakPolarHBondContact CB-OG1 3.42Å; N31-T163 PolarHBondContact ND2-OG1 2.83Å; N31-T163 CarbonylContact O-C 3.53Å; N31-T163 WeakPolarHBondContact O-CA 2.98Å; V34-T163 HydrophobicContact CB-CG2 4.13Å; V34-T163 HydrophobicContact CG2-CG2 3.58Å; T163-Q166 HydrophobicContact CG2-CB 4.1Å; T163-D200 CarbonylContact O-C 3.59Å; T163-D200 WeakPolarHBondContact O-CA 3.28Å; T163-V201 PolarHBondContact N-O 3.08Å; T163-V201 PolarHBondContact O-N 2.82Å
164	R	96.4	Very high	96.5	Very high	115 Å²	115	32.8 Å²	32.8	43%	0.434	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-41.5	-176.8	-77.9	177.7	169.9	-171.9	0.9	113.3	V30 N31 E32 R199 D200	V30-R164 HydrophobicContact CG1-CG 4.2Å; N31-R164 PolarHBondContact O-N 2.78Å; E32-R164 VanDerWaalsContact CD-NH1 3.33Å; E32-R164 IonicContact OE1-NH1 3.69Å; E32-R164 PolarHBondContact OE1-NH1 2.74Å; E32-R164 WeakPolarHBondContact OE2-CD 3.35Å; E32-R164 IonicContact OE2-CZ 3.47Å; E32-R164 IonicContact OE2-NE 3.72Å; E32-R164 IonicContact OE2-NH1 2.64Å; E32-R164 PolarHBondContact OE2-NH1 3.1Å; R164-R199 VanDerWaalsContact O-CA 3.32Å; R164-R199 WeakPolarHBondContact O-CA 3.43Å; R164-D200 PolarHBondContact O-N 2.96Å
165	S	97.4	Very high	96.5	Very high	41 Å²	41	39.1 Å²	39.1	29%	0.287	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	126.5	179.4	-177.3	0	0	0	0	110.1	E32 E33 V34 F198	E32-S165 PolarHBondContact O-N 3.23Å; E33-S165 CarbonylContact C-O 3.6Å; E33-S165 WeakPolarHBondContact CA-O 3.4Å; V34-S165 PolarHBondContact N-O 3.11Å; S165-F198 WeakPolarHBondContact CA-O 3.49Å
166	Q	97.3	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.5	175.1	-177.5	-171.1	-39.7	0	0	110.9	V34 H155 T163 T168 P197 F198	V34-Q166 HydrophobicContact CB-CB 4.3Å; V34-Q166 HydrophobicContact CB-CG 4.1Å; V34-Q166 HydrophobicContact CG1-CG 4.09Å; V34-Q166 WeakPolarHBondContact O-CA 3.28Å; H155-Q166 PolarHBondContact O-NE2 2.93Å; T163-Q166 HydrophobicContact CG2-CB 4.1Å; Q166-T168 PolarHBondContact NE2-OG1 2.85Å; Q166-P197 CarbonylContact O-C 3.6Å; Q166-P197 WeakPolarHBondContact O-CA 3.39Å; Q166-F198 HydrophobicContact CB-CB 4.5Å; Q166-F198 PolarHBondContact N-O 3.02Å; Q166-F198 PolarHBondContact O-N 2.93Å
167	T	97.7	Very high	96.6	Very high	56 Å²	56	40.6 Å²	40.6	34%	0.344	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.7	162.9	54.9	0	0	0	0	109.7	V34 R36 P197	V34-T167 PolarHBondContact O-N 2.83Å; R36-T167 PolarHBondContact N-O 2.93Å; T167-P197 HydrophobicContact CG2-CB 3.97Å
168	T	97.7	Very high	96.6	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.2	175.6	-65.4	0	0	0	0	110.5	R36 V38 Q166 V170 E194 Y195	R36-T168 PolarHBondContact NE-OG1 3.35Å; R36-T168 VanDerWaalsContact NE-OG1 3.11Å; R36-T168 PolarHBondContact NH2-OG1 3.04Å; R36-T168 CarbonylContact O-C 3.57Å; R36-T168 VanDerWaalsContact O-CA 3.24Å; R36-T168 WeakPolarHBondContact O-CA 3.31Å; V38-T168 HydrophobicContact CG2-CG2 4.21Å; Q166-T168 PolarHBondContact NE2-OG1 2.85Å; T168-V170 HydrophobicContact CG2-CG2 4.33Å; T168-E194 WeakPolarHBondContact O-CA 3.45Å; T168-Y195 PolarHBondContact N-O 3.27Å; T168-Y195 PolarHBondContact O-N 2.89Å
169	R	97.9	Very high	96.7	Very high	129 Å²	129	47.3 Å²	47.3	49%	0.487	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.9	174.3	-177	172.6	-179.2	170.7	1.8	109.4	R36 T37 V38 A192 I193 E194	R36-R169 PolarHBondContact O-N 3.33Å; T37-R169 CarbonylContact C-O 3.58Å; T37-R169 VanDerWaalsContact CA-O 3.28Å; T37-R169 WeakPolarHBondContact CA-O 3.39Å; V38-R169 PolarHBondContact N-O 2.97Å; R169-A192 HydrophobicContact CG-CB 4.49Å; R169-I193 CarbonylContact C-O 3.57Å; R169-I193 WeakPolarHBondContact CA-O 3.21Å; R169-E194 HydrophobicContact CG-CG 4.37Å
170	V	98.4	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.7	173.8	-173.4	0	0	0	0	108.1	V38 L40 T168 L172 A192 I193 Y195 M209	V38-V170 HydrophobicContact CB-CG1 4.49Å; V38-V170 HydrophobicContact CB-CG2 4.34Å; V38-V170 CarbonylContact O-C 3.57Å; V38-V170 VanDerWaalsContact O-CA 3.32Å; V38-V170 WeakPolarHBondContact O-CA 3.32Å; L40-V170 HydrophobicContact CD1-CG1 3.62Å; L40-V170 HydrophobicContact CG-CG1 4.13Å; T168-V170 HydrophobicContact CG2-CG2 4.33Å; V170-L172 HydrophobicContact CG1-CD2 3.81Å; V170-A192 CarbonylContact O-C 3.53Å; V170-A192 VanDerWaalsContact O-CA 3.26Å; V170-A192 WeakPolarHBondContact O-CA 3.38Å; V170-I193 HydrophobicContact CB-CB 4.34Å; V170-I193 PolarHBondContact N-O 2.87Å; V170-I193 PolarHBondContact O-N 2.84Å; V170-Y195 HydrophobicContact CG2-CD2 4.14Å; V170-Y195 HydrophobicContact CG2-CE2 3.92Å; V170-M209 HydrophobicContact CG2-CE 4.28Å; V170-M209 HydrophobicContact CG2-SD 3.9Å
171	R	98.2	Very high	97	Very high	123 Å²	123	50.2 Å²	50.2	46%	0.464	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.2	174.2	-177.3	-177.5	179.5	-162.8	5.5	109.4	V38 D39 L40	V38-R171 PolarHBondContact O-N 2.78Å; D39-R171 WeakPolarHBondContact OD2-CD 3.42Å; D39-R171 IonicContact OD2-CZ 2.87Å; D39-R171 IonicContact OD2-NE 3.99Å; D39-R171 IonicContact OD2-NH1 3.42Å; D39-R171 PolarHBondContact OD2-NH1 3.01Å; L40-R171 WeakPolarHBondContact CA-O 3.46Å; L40-R171 WeakPolarHBondContact CB-O 3.49Å; L40-R171 PolarHBondContact N-O 3.48Å
172	L	98	Very high	97	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	162.5	-174.6	-53.5	179.9	0	0	0	110.7	L40 V170 S174 V177 E191 I193 V211 Y213	L40-L172 HydrophobicContact CD1-CD2 4.29Å; V170-L172 HydrophobicContact CG1-CD2 3.81Å; L172-S174 WeakPolarHBondContact CB-O 3.46Å; L172-S174 PolarHBondContact O-N 3.36Å; L172-V177 HydrophobicContact CD1-CG2 3.38Å; L172-E191 WeakPolarHBondContact CB-O 3.42Å; L172-E191 PolarHBondContact N-O 2.72Å; L172-I193 HydrophobicContact CD1-CD1 3.97Å; L172-I193 HydrophobicContact CD1-CG1 4.27Å; L172-V211 HydrophobicContact CD2-CG1 3.95Å; L172-Y213 HydrophobicContact CB-CD2 3.96Å; L172-Y213 HydrophobicContact CB-CE2 4.27Å; L172-Y213 HydrophobicContact CD1-CG 4.45Å; L172-Y213 HydrophobicContact CD2-CD1 4.12Å; L172-Y213 HydrophobicContact CD2-CD2 4.08Å; L172-Y213 HydrophobicContact CD2-CE1 4.34Å; L172-Y213 HydrophobicContact CD2-CE2 4.27Å; L172-Y213 HydrophobicContact CD2-CG 4.01Å; L172-Y213 HydrophobicContact CG-CD2 4.44Å
173	A	96.4	Very high	97	Very high	30 Å²	30	55.7 Å²	55.7	25%	0.248	27%	0.271	C	S	.	.	S	Bend	trans	-73.2	-18.5	175.7	0	0	0	0	0	113.2	S41 Y213 N215	S41-A173 VanDerWaalsContact O-CB 3.31Å; S41-A173 WeakPolarHBondContact O-CB 3.42Å; A173-Y213 HydrophobicContact CB-CE2 4.03Å; A173-N215 HydrophobicContact CB-CB 3.88Å; A173-N215 VanDerWaalsContact CB-CG 3.43Å; A173-N215 WeakPolarHBondContact CB-OD1 3.46Å
174	S	95.6	Very high	96.6	Very high	20 Å²	20	58 Å²	58	14%	0.14	30%	0.296	C	S	.	.	S	Bend	trans	-158.1	166.5	-179.7	76.4	0	0	0	0	111.5	L172 T176 E214	L172-S174 WeakPolarHBondContact CB-O 3.46Å; L172-S174 PolarHBondContact O-N 3.36Å; S174-T176 PolarHBondContact O-N 2.82Å; S174-T176 PolarHBondContact OG-N 3.25Å; S174-E214 WeakPolarHBondContact OG-CB 3.4Å; S174-E214 PolarHBondContact OG-O 2.62Å
175	K	96.4	Very high	96.4	Very high	143 Å²	143	59.9 Å²	59.9	62%	0.622	31%	0.314	S	S	*	.	S	Bend	trans	-74.1	-11.9	174.6	66.4	-175.7	178.4	-175	0	113.8	V177 K188 D190 E191	K175-V177 PolarHBondContact O-N 2.78Å; K175-K188 PolarHBondContact O-NZ 2.98Å; K175-D190 WeakPolarHBondContact CA-O 3.49Å; K175-E191 HydrophobicContact CB-CG 4.37Å
176	T	96.3	Very high	96.3	Very high	56 Å²	56	58.6 Å²	58.6	34%	0.344	31%	0.305	S	S	.	.			trans	-82	112.9	-177.5	-47.6	0	0	0	0	109.4	S174 E214	S174-T176 PolarHBondContact O-N 2.82Å; S174-T176 PolarHBondContact OG-N 3.25Å; T176-E214 WeakPolarHBondContact CB-OE2 3.47Å; T176-E214 HydrophobicContact CG2-CB 4.17Å; T176-E214 WeakPolarHBondContact CG2-OE2 3.24Å; T176-E214 PolarHBondContact O-N 2.88Å; T176-E214 PolarHBondContact OG1-OE2 3.26Å
177	V	97.1	Very high	96.2	Very high	27 Å²	27	61.4 Å²	61.4	16%	0.164	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.5	-178.5	-174.7	0	0	0	0	108.1	L172 K175 Y180 H212	L172-V177 HydrophobicContact CD1-CG2 3.38Å; K175-V177 PolarHBondContact O-N 2.78Å; V177-Y180 HydrophobicContact CG1-CD1 3.75Å; V177-Y180 HydrophobicContact CG1-CE1 4.49Å; V177-H212 WeakPolarHBondContact CG1-O 3.25Å
178	E	96.9	Very high	96.1	Very high	114 Å²	114	63 Å²	63	53%	0.533	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-50	177.5	-71.3	-63.3	153.2	0	0	110.7	L148 H212	L148-E178 HydrophobicContact CD1-CG 3.92Å; L148-E178 HydrophobicContact CD2-CG 4.07Å; E178-H212 HydrophobicContact CB-CB 4.22Å; E178-H212 WeakPolarHBondContact CB-ND1 3.35Å; E178-H212 PolarHBondContact N-O 2.99Å
179	S	97.2	Very high	95.8	Very high	58 Å²	58	66.4 Å²	66.4	41%	0.406	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	152.4	178.3	62.4	0	0	0	0	112	H212	S179-H212 PolarHBondContact N-O 2.95Å; S179-H212 PolarHBondContact O-N 2.94Å
180	Y	97.5	Very high	95.6	Very high	41 Å²	41	66.1 Å²	66.1	16%	0.161	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.1	171.6	62.2	-80	0	0	0	110	V177 K182 P186 K188 I193 K210	V177-Y180 HydrophobicContact CG1-CD1 3.75Å; V177-Y180 HydrophobicContact CG1-CE1 4.49Å; Y180-K182 HydrophobicContact CD2-CD 4.19Å; Y180-K182 HydrophobicContact CE2-CD 3.94Å; Y180-K182 WeakPolarHBondContact O-CE 3.33Å; Y180-K182 PolarHBondContact OH-NZ 2.84Å; Y180-P186 HydrophobicContact CD2-CG 4.17Å; Y180-P186 HydrophobicContact CE2-CB 4.26Å; Y180-P186 HydrophobicContact CE2-CG 3.77Å; Y180-K188 HydrophobicContact CE1-CD 4.5Å; Y180-I193 HydrophobicContact CD1-CD1 4.14Å; Y180-I193 HydrophobicContact CD2-CD1 4Å; Y180-I193 HydrophobicContact CD2-CG2 3.82Å; Y180-I193 HydrophobicContact CE2-CG2 3.82Å; Y180-I193 HydrophobicContact CG-CD1 3.77Å; Y180-K210 VanDerWaalsContact CA-O 3.3Å; Y180-K210 WeakPolarHBondContact CA-O 3.21Å
181	T	97.1	Very high	95.5	Very high	36 Å²	36	70.6 Å²	70.6	22%	0.221	38%	0.38	C	S	.	.			trans	-61.6	147.8	177.7	41.7	0	0	0	0	111.4	H155 Y195 K210	H155-T181 PolarHBondContact CE1-OG1 3.26Å; H155-T181 VanDerWaalsContact CE1-OG1 3.23Å; H155-T181 WeakPolarHBondContact NE2-CB 3.11Å; H155-T181 PolarHBondContact NE2-OG1 2.86Å; T181-Y195 WeakPolarHBondContact O-CE1 3.3Å; T181-Y195 PolarHBondContact O-OH 3.46Å; T181-Y195 VanDerWaalsContact O-OH 3.1Å; T181-Y195 PolarHBondContact OG1-OH 3.33Å; T181-K210 HydrophobicContact CG2-CB 4.05Å; T181-K210 PolarHBondContact N-O 2.86Å; T181-K210 VanDerWaalsContact N-O 3.1Å; T181-K210 PolarHBondContact OG1-N 2.71Å
182	K	95.9	Very high	95.4	Very high	121 Å²	121	65.1 Å²	65.1	53%	0.526	36%	0.361	S	S	.	.			trans	-112.8	23.2	-169.3	-58.3	-64.6	-179.7	164.8	0	114.1	Y180 G184 N185 P186	Y180-K182 HydrophobicContact CD2-CD 4.19Å; Y180-K182 HydrophobicContact CE2-CD 3.94Å; Y180-K182 WeakPolarHBondContact O-CE 3.33Å; Y180-K182 PolarHBondContact OH-NZ 2.84Å; K182-G184 PolarHBondContact O-N 2.64Å; K182-N185 PolarHBondContact O-N 3.33Å; K182-P186 VanDerWaalsContact C-CD 3.47Å; K182-P186 HydrophobicContact CD-CG 4.23Å; K182-P186 WeakPolarHBondContact O-CD 3.31Å
183	L	94.6	Very high	95.4	Very high	52 Å²	52	65 Å²	65	27%	0.272	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	123.3	-179.8	-175.5	71.9	0	0	0	110.9	H155 Y156 P186 F198	H155-L183 HydrophobicContact CB-CD2 3.72Å; Y156-L183 HydrophobicContact CE2-CD2 4.44Å; L183-P186 WeakPolarHBondContact O-CD 3.25Å; L183-F198 HydrophobicContact CD2-CE1 3.94Å; L183-F198 HydrophobicContact CD2-CZ 3.96Å; L183-F198 HydrophobicContact CG-CE1 4.02Å; L183-F198 HydrophobicContact CG-CZ 4.32Å
184	G	89.5	Confident	95.4	Very high	52 Å²	52	68 Å²	68	54%	0.536	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	23.1	176.6	0	0	0	0	0	115.2	K182	K182-G184 PolarHBondContact O-N 2.64Å
185	N	92.1	Very high	95.5	Very high	154 Å²	154	67.1 Å²	67.1	82%	0.824	36%	0.363	S	S	*	.			trans	53.4	60.9	-179.1	-62.8	-39	0	0	0	113.3	K182	K182-N185 PolarHBondContact O-N 3.33Å
186	P	95.2	Very high	95.3	Very high	15 Å²	15	61.6 Å²	61.6	10%	0.097	35%	0.347	C	S	.	.			trans	-62.7	141.9	-175.4	26.3	-34.5	0	0	0	112.2	Y180 K182 L183 I193 E194 Y195	Y180-P186 HydrophobicContact CD2-CG 4.17Å; Y180-P186 HydrophobicContact CE2-CB 4.26Å; Y180-P186 HydrophobicContact CE2-CG 3.77Å; K182-P186 VanDerWaalsContact C-CD 3.47Å; K182-P186 HydrophobicContact CD-CG 4.23Å; K182-P186 WeakPolarHBondContact O-CD 3.31Å; L183-P186 WeakPolarHBondContact O-CD 3.25Å; P186-I193 HydrophobicContact CB-CG2 4.13Å; P186-E194 CarbonylContact C-O 3.56Å; P186-E194 WeakPolarHBondContact CA-O 3.48Å; P186-E194 WeakPolarHBondContact CB-O 3.25Å; P186-Y195 HydrophobicContact CB-CD1 3.67Å; P186-Y195 HydrophobicContact CB-CE1 3.78Å; P186-Y195 HydrophobicContact CB-CG 4.12Å; P186-Y195 HydrophobicContact CG-CD1 4.04Å; P186-Y195 HydrophobicContact CG-CE1 3.76Å
187	S	95.2	Very high	95.2	Very high	59 Å²	59	63 Å²	63	41%	0.413	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143.3	173	70.3	0	0	0	0	109.7	I193 E194	S187-I193 CarbonylContact O-C 3.58Å; S187-I193 WeakPolarHBondContact O-CA 3.22Å; S187-E194 PolarHBondContact N-O 3.27Å; S187-E194 PolarHBondContact O-N 2.82Å
188	K	94.2	Very high	95.1	Very high	90 Å²	90	62.7 Å²	62.7	39%	0.391	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.7	170.5	-178.3	-159.9	173.8	-174.1	0	107.9	K175 Y180 D190 A192 I193	K175-K188 PolarHBondContact O-NZ 2.98Å; Y180-K188 HydrophobicContact CE1-CD 4.5Å; K188-D190 WeakPolarHBondContact CE-O 3.18Å; K188-A192 WeakPolarHBondContact CA-O 3.46Å; K188-I193 HydrophobicContact CG-CG1 4.27Å
189	S	93.1	Very high	95.1	Very high	74 Å²	74	67 Å²	67	52%	0.517	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.3	172.8	-171.6	0	0	0	0	108.8	E191 A192	S189-E191 PolarHBondContact O-N 2.85Å; S189-A192 PolarHBondContact N-O 2.59Å; S189-A192 WeakPolarHBondContact O-CA 3.32Å; S189-A192 PolarHBondContact O-N 2.94Å; S189-A192 VanDerWaalsContact O-O 3.13Å
190	D	92.8	Very high	95	Very high	123 Å²	123	70.3 Å²	70.3	66%	0.658	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	-109.2	-178.9	-57.7	-44.8	0	0	0	113	K175 K188	K175-D190 WeakPolarHBondContact CA-O 3.49Å; K188-D190 WeakPolarHBondContact CE-O 3.18Å
191	E	95.5	Very high	94.9	Very high	93 Å²	93	68.9 Å²	68.9	44%	0.435	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	13.3	-177.5	-53.7	-179.3	161.9	0	0	112.2	L172 K175 S189	L172-E191 WeakPolarHBondContact CB-O 3.42Å; L172-E191 PolarHBondContact N-O 2.72Å; K175-E191 HydrophobicContact CB-CG 4.37Å; S189-E191 PolarHBondContact O-N 2.85Å
192	A	97.1	Very high	94.8	Very high	8 Å²	8	70 Å²	70	7%	0.066	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.7	-179.1	0	0	0	0	0	112.4	R169 V170 K188 S189	R169-A192 HydrophobicContact CG-CB 4.49Å; V170-A192 CarbonylContact O-C 3.53Å; V170-A192 VanDerWaalsContact O-CA 3.26Å; V170-A192 WeakPolarHBondContact O-CA 3.38Å; K188-A192 WeakPolarHBondContact CA-O 3.46Å; S189-A192 PolarHBondContact N-O 2.59Å; S189-A192 WeakPolarHBondContact O-CA 3.32Å; S189-A192 PolarHBondContact O-N 2.94Å; S189-A192 VanDerWaalsContact O-O 3.13Å
193	I	97.8	Very high	94.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.7	169.6	-56.2	169.3	0	0	0	107.8	R169 V170 L172 Y180 P186 S187 K188 Y195 V211	R169-I193 CarbonylContact C-O 3.57Å; R169-I193 WeakPolarHBondContact CA-O 3.21Å; V170-I193 HydrophobicContact CB-CB 4.34Å; V170-I193 PolarHBondContact N-O 2.87Å; V170-I193 PolarHBondContact O-N 2.84Å; L172-I193 HydrophobicContact CD1-CD1 3.97Å; L172-I193 HydrophobicContact CD1-CG1 4.27Å; Y180-I193 HydrophobicContact CD1-CD1 4.14Å; Y180-I193 HydrophobicContact CD2-CD1 4Å; Y180-I193 HydrophobicContact CD2-CG2 3.82Å; Y180-I193 HydrophobicContact CE2-CG2 3.82Å; Y180-I193 HydrophobicContact CG-CD1 3.77Å; P186-I193 HydrophobicContact CB-CG2 4.13Å; S187-I193 CarbonylContact O-C 3.58Å; S187-I193 WeakPolarHBondContact O-CA 3.22Å; K188-I193 HydrophobicContact CG-CG1 4.27Å; I193-Y195 HydrophobicContact CB-CE2 4.25Å; I193-Y195 HydrophobicContact CG2-CD2 3.99Å; I193-Y195 HydrophobicContact CG2-CE2 3.44Å; I193-Y195 VanDerWaalsContact CG2-CE2 3.44Å; I193-V211 HydrophobicContact CD1-CG1 4Å
194	E	97.4	Very high	94.7	Very high	91 Å²	91	66.1 Å²	66.1	43%	0.425	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.8	177.5	-55.2	-173.3	158.4	0	0	110.6	T168 R169 P186 S187	T168-E194 WeakPolarHBondContact O-CA 3.45Å; R169-E194 HydrophobicContact CG-CG 4.37Å; P186-E194 CarbonylContact C-O 3.56Å; P186-E194 WeakPolarHBondContact CA-O 3.48Å; P186-E194 WeakPolarHBondContact CB-O 3.25Å; S187-E194 PolarHBondContact N-O 3.27Å; S187-E194 PolarHBondContact O-N 2.82Å
195	Y	97	Very high	94.9	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144	175.5	-68.8	-90.8	0	0	0	110.7	H155 T168 V170 T181 P186 I193 F198 M209	H155-Y195 AromaticContact CD2-CD1 3.64Å; H155-Y195 AromaticContact CD2-CE1 3.58Å; H155-Y195 AromaticContact NE2-CE1 3.48Å; H155-Y195 WeakPolarHBondContact NE2-CE1 3.46Å; T168-Y195 PolarHBondContact N-O 3.27Å; T168-Y195 PolarHBondContact O-N 2.89Å; V170-Y195 HydrophobicContact CG2-CD2 4.14Å; V170-Y195 HydrophobicContact CG2-CE2 3.92Å; T181-Y195 WeakPolarHBondContact O-CE1 3.3Å; T181-Y195 PolarHBondContact O-OH 3.46Å; T181-Y195 VanDerWaalsContact O-OH 3.1Å; T181-Y195 PolarHBondContact OG1-OH 3.33Å; P186-Y195 HydrophobicContact CB-CD1 3.67Å; P186-Y195 HydrophobicContact CB-CE1 3.78Å; P186-Y195 HydrophobicContact CB-CG 4.12Å; P186-Y195 HydrophobicContact CG-CD1 4.04Å; P186-Y195 HydrophobicContact CG-CE1 3.76Å; I193-Y195 HydrophobicContact CB-CE2 4.25Å; I193-Y195 HydrophobicContact CG2-CD2 3.99Å; I193-Y195 HydrophobicContact CG2-CE2 3.44Å; I193-Y195 VanDerWaalsContact CG2-CE2 3.44Å; Y195-F198 HydrophobicContact CD1-CZ 4.48Å; Y195-M209 HydrophobicContact CD2-SD 4.23Å; Y195-M209 HydrophobicContact CE2-SD 3.79Å
196	G	91.8	Very high	95	Very high	28 Å²	28	62.8 Å²	62.8	29%	0.289	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.9	-166.6	-178.2	0	0	0	0	0	113
197	P	94.2	Very high	94.9	Very high	86 Å²	86	65.2 Å²	65.2	56%	0.558	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-70	127.4	11.3	27.6	-34.8	0	0	0	113	Q166 T167	Q166-P197 CarbonylContact O-C 3.6Å; Q166-P197 WeakPolarHBondContact O-CA 3.39Å; T167-P197 HydrophobicContact CG2-CB 3.97Å
198	F	95.7	Very high	94.9	Very high	19 Å²	19	66.2 Å²	66.2	8%	0.083	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.7	168.8	-54.2	-60.9	0	0	0	109.1	Y156 S165 Q166 L183 Y195 V201	Y156-F198 HydrophobicContact CD1-CD2 4.08Å; Y156-F198 HydrophobicContact CD1-CG 4.29Å; Y156-F198 HydrophobicContact CE1-CB 4.05Å; Y156-F198 HydrophobicContact CE1-CD1 4.06Å; Y156-F198 AromaticContact CE1-CD2 3.93Å; Y156-F198 HydrophobicContact CE1-CD2 3.93Å; Y156-F198 HydrophobicContact CE1-CE1 4.49Å; Y156-F198 HydrophobicContact CE1-CE2 4.37Å; Y156-F198 AromaticContact CE1-CG 3.75Å; Y156-F198 HydrophobicContact CE1-CG 3.75Å; S165-F198 WeakPolarHBondContact CA-O 3.49Å; Q166-F198 HydrophobicContact CB-CB 4.5Å; Q166-F198 PolarHBondContact N-O 3.02Å; Q166-F198 PolarHBondContact O-N 2.93Å; L183-F198 HydrophobicContact CD2-CE1 3.94Å; L183-F198 HydrophobicContact CD2-CZ 3.96Å; L183-F198 HydrophobicContact CG-CE1 4.02Å; L183-F198 HydrophobicContact CG-CZ 4.32Å; Y195-F198 HydrophobicContact CD1-CZ 4.48Å; F198-V201 HydrophobicContact CB-CG2 3.85Å
199	R	96.1	Very high	95.1	Very high	204 Å²	204	62 Å²	62	77%	0.77	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.6	-179.8	-65	-172.8	179.3	-174.3	-0.2	110.9	R164 V201	R164-R199 VanDerWaalsContact O-CA 3.32Å; R164-R199 WeakPolarHBondContact O-CA 3.43Å; R199-V201 PolarHBondContact O-N 3.07Å
200	D	94.4	Very high	95.3	Very high	129 Å²	129	62.8 Å²	62.8	69%	0.69	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.5	53.8	172.1	-56.9	-51.3	0	0	0	113.7	T163 R164	T163-D200 CarbonylContact O-C 3.59Å; T163-D200 WeakPolarHBondContact O-CA 3.28Å; R164-D200 PolarHBondContact O-N 2.96Å
201	V	95.5	Very high	95.5	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.7	176.9	-178.9	0	0	0	0	109.6	Y156 T163 F198 R199 S205	Y156-V201 HydrophobicContact CD1-CB 4.49Å; Y156-V201 HydrophobicContact CD1-CG1 3.77Å; Y156-V201 HydrophobicContact CD1-CG2 3.81Å; Y156-V201 HydrophobicContact CE1-CG1 4.4Å; Y156-V201 HydrophobicContact CE1-CG2 3.98Å; Y156-V201 HydrophobicContact CG-CG1 3.89Å; T163-V201 PolarHBondContact N-O 3.08Å; T163-V201 PolarHBondContact O-N 2.82Å; F198-V201 HydrophobicContact CB-CG2 3.85Å; R199-V201 PolarHBondContact O-N 3.07Å; V201-S205 WeakPolarHBondContact CG1-OG 3.45Å
202	A	95.4	Very high	95.7	Very high	58 Å²	58	53.5 Å²	53.5	48%	0.479	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-70.6	157	-178.6	0	0	0	0	0	112.1	S205	A202-S205 PolarHBondContact N-OG 3.34Å; A202-S205 WeakPolarHBondContact O-CB 3.32Å; A202-S205 PolarHBondContact O-N 3.22Å; A202-S205 PolarHBondContact O-OG 3.03Å
203	P	94.2	Very high	95.7	Very high	62 Å²	62	53.1 Å²	53.1	40%	0.403	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.6	169.3	-25.3	35.2	0	0	0	112	P162 S205	P162-P203 HydrophobicContact CB-CG 4.27Å; P203-S205 PolarHBondContact O-N 3.48Å
204	F	93.8	Very high	95.7	Very high	30 Å²	30	53.8 Å²	53.8	13%	0.132	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	35.3	179.7	-56.6	-72.9	0	0	0	113.9	V24 I100 Q103 F107 Y158 S159 P160 E206	V24-F204 HydrophobicContact CG1-CE2 4.33Å; V24-F204 HydrophobicContact CG2-CE2 4.27Å; I100-F204 HydrophobicContact CD1-CE1 4.48Å; I100-F204 HydrophobicContact CD1-CZ 3.95Å; Q103-F204 HydrophobicContact CB-CZ 4.44Å; Q103-F204 HydrophobicContact CG-CD2 4.39Å; Q103-F204 HydrophobicContact CG-CE1 4.23Å; Q103-F204 HydrophobicContact CG-CE2 3.92Å; Q103-F204 HydrophobicContact CG-CZ 3.8Å; F107-F204 AromaticContact CE1-CE1 3.89Å; F107-F204 HydrophobicContact CE1-CE1 3.89Å; F107-F204 HydrophobicContact CZ-CE1 4.48Å; Y158-F204 HydrophobicContact CD2-CD1 4.41Å; Y158-F204 HydrophobicContact CE1-CD1 4.07Å; Y158-F204 HydrophobicContact CE1-CE1 4.46Å; Y158-F204 HydrophobicContact CE2-CB 3.93Å; Y158-F204 AromaticContact CE2-CD1 3.76Å; Y158-F204 HydrophobicContact CE2-CD1 3.76Å; Y158-F204 HydrophobicContact CE2-CG 4.35Å; Y158-F204 AromaticContact CZ-CD1 3.58Å; S159-F204 PolarHBondContact O-N 2.83Å; P160-F204 HydrophobicContact CB-CE1 4.05Å; P160-F204 HydrophobicContact CB-CE2 3.9Å; P160-F204 HydrophobicContact CB-CZ 3.47Å; P160-F204 VanDerWaalsContact CB-CZ 3.47Å; F204-E206 PolarHBondContact O-N 3.46Å
205	S	94.4	Very high	95.7	Very high	24 Å²	24	49.4 Å²	49.4	17%	0.168	27%	0.274	C	S	.	.			trans	-69	132	175.7	-66.4	0	0	0	0	111.2	N154 V201 A202 P203	N154-S205 PolarHBondContact ND2-O 3.07Å; V201-S205 WeakPolarHBondContact CG1-OG 3.45Å; A202-S205 PolarHBondContact N-OG 3.34Å; A202-S205 WeakPolarHBondContact O-CB 3.32Å; A202-S205 PolarHBondContact O-N 3.22Å; A202-S205 PolarHBondContact O-OG 3.03Å; P203-S205 PolarHBondContact O-N 3.48Å
206	E	93.4	Very high	95.7	Very high	112 Å²	112	50.8 Å²	50.8	52%	0.523	28%	0.281	S	S	.	.			trans	-127.6	130.3	177.4	-69	-177.3	179.2	0	0	110	Y158 F204	Y158-E206 HydrophobicContact CD2-CG 3.82Å; Y158-E206 HydrophobicContact CE2-CG 3.9Å; Y158-E206 WeakPolarHBondContact CE2-OE1 3.36Å; F204-E206 PolarHBondContact O-N 3.46Å
207	D	94.9	Very high	95.9	Very high	66 Å²	66	51.5 Å²	51.5	35%	0.353	28%	0.28	S	S	.	.			trans	-148.9	130.3	167.1	-176	80	0	0	0	109.5	N154 H155 Y156 M209	N154-D207 CarbonylContact C-O 3.55Å; N154-D207 WeakPolarHBondContact CA-O 3.44Å; N154-D207 PolarHBondContact OD1-N 2.89Å; N154-D207 PolarHBondContact OD1-O 3.25Å; N154-D207 VanDerWaalsContact OD1-O 3.09Å; H155-D207 HydrophobicContact CB-CB 4.41Å; H155-D207 IonicContact CE1-OD2 2.65Å; H155-D207 PolarHBondContact CE1-OD2 3.31Å; H155-D207 IonicContact CG-OD2 3.83Å; H155-D207 PolarHBondContact N-O 2.91Å; H155-D207 PolarHBondContact ND1-O 2.88Å; H155-D207 IonicContact ND1-OD2 3.89Å; H155-D207 PolarHBondContact ND1-OD2 3.07Å; Y156-D207 HydrophobicContact CD2-CB 3.91Å; Y156-D207 HydrophobicContact CE2-CB 3.59Å; D207-M209 PolarHBondContact O-N 3.42Å
208	A	95.1	Very high	95.8	Very high	80 Å²	80	50.8 Å²	50.8	66%	0.661	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	112.7	-169.9	0	0	0	0	0	112.1	H155	H155-A208 PolarHBondContact CE1-O 3.01Å; H155-A208 PolarHBondContact ND1-O 3.05Å
209	M	96.6	Very high	95.9	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129	169.3	-175.5	174.5	60.3	0	0	109.8	F151 Q152 G153 H155 V170 Y195 D207 V211	F151-M209 HydrophobicContact CD1-CE 4.33Å; F151-M209 HydrophobicContact CE1-CE 3.75Å; Q152-M209 WeakPolarHBondContact CA-O 3.31Å; G153-M209 PolarHBondContact N-O 2.72Å; G153-M209 WeakPolarHBondContact O-CA 3.24Å; G153-M209 PolarHBondContact O-N 3.15Å; H155-M209 WeakPolarHBondContact CE1-CA 3.5Å; H155-M209 PolarHBondContact ND1-N 2.99Å; V170-M209 HydrophobicContact CG2-CE 4.28Å; V170-M209 HydrophobicContact CG2-SD 3.9Å; Y195-M209 HydrophobicContact CD2-SD 4.23Å; Y195-M209 HydrophobicContact CE2-SD 3.79Å; D207-M209 PolarHBondContact O-N 3.42Å; M209-V211 HydrophobicContact CG-CG2 4.38Å
210	K	97.6	Very high	96	Very high	89 Å²	89	40.5 Å²	40.5	39%	0.387	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.1	176	-172.5	-179	-178.7	-175.8	0	109.8	V150 F151 Q152 Y180 T181	V150-K210 HydrophobicContact CG1-CD 4.36Å; V150-K210 VanDerWaalsContact CG1-CE 3.49Å; V150-K210 HydrophobicContact CG1-CG 3.97Å; F151-K210 WeakPolarHBondContact O-CA 3.43Å; Q152-K210 HydrophobicContact CG-CG 4.2Å; Y180-K210 VanDerWaalsContact CA-O 3.3Å; Y180-K210 WeakPolarHBondContact CA-O 3.21Å; T181-K210 HydrophobicContact CG2-CB 4.05Å; T181-K210 PolarHBondContact N-O 2.86Å; T181-K210 VanDerWaalsContact N-O 3.1Å; T181-K210 PolarHBondContact OG1-N 2.71Å
211	V	98.1	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.3	177.3	-172.5	0	0	0	0	109.1	V150 F151 L172 I193 M209 Y213	V150-V211 WeakPolarHBondContact CA-O 3.1Å; F151-V211 PolarHBondContact N-O 3.47Å; F151-V211 PolarHBondContact O-N 2.97Å; L172-V211 HydrophobicContact CD2-CG1 3.95Å; I193-V211 HydrophobicContact CD1-CG1 4Å; M209-V211 HydrophobicContact CG-CG2 4.38Å; V211-Y213 HydrophobicContact CG1-CD1 3.98Å
212	H	98.4	Very high	96.3	Very high	22 Å²	22	33.9 Å²	33.9	10%	0.102	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.7	177.1	-177.5	-158.4	0	0	0	108.8	F137 V149 V150 V177 E178 S179	F137-H212 AromaticContact CD1-CE1 3.61Å; F137-H212 AromaticContact CD1-NE2 3.74Å; F137-H212 PolarHBondContact O-NE2 3.33Å; V149-H212 WeakPolarHBondContact O-CA 3.2Å; V149-H212 PolarHBondContact O-CD2 2.76Å; V150-H212 HydrophobicContact CG2-CB 3.96Å; V177-H212 WeakPolarHBondContact CG1-O 3.25Å; E178-H212 HydrophobicContact CB-CB 4.22Å; E178-H212 WeakPolarHBondContact CB-ND1 3.35Å; E178-H212 PolarHBondContact N-O 2.99Å; S179-H212 PolarHBondContact N-O 2.95Å; S179-H212 PolarHBondContact O-N 2.94Å
213	Y	98.3	Very high	96.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	166.2	-168.9	70	-73.8	0	0	0	111.6	L40 L148 V149 L172 A173 V211 N215	L40-Y213 HydrophobicContact CB-CE1 4.36Å; L40-Y213 VanDerWaalsContact CB-OH 3.3Å; L40-Y213 WeakPolarHBondContact CB-OH 3.3Å; L40-Y213 HydrophobicContact CD1-CE1 4.29Å; L40-Y213 WeakPolarHBondContact O-CE2 3.37Å; L40-Y213 PolarHBondContact O-OH 2.88Å; L148-Y213 CarbonylContact C-O 3.57Å; L148-Y213 VanDerWaalsContact CA-O 3.31Å; L148-Y213 WeakPolarHBondContact CA-O 3.49Å; V149-Y213 HydrophobicContact CG2-CD1 4.1Å; V149-Y213 HydrophobicContact CG2-CE1 3.48Å; V149-Y213 VanDerWaalsContact CG2-CE1 3.48Å; V149-Y213 HydrophobicContact CG2-CE2 4.14Å; V149-Y213 VanDerWaalsContact CG2-CZ 3.48Å; V149-Y213 PolarHBondContact N-O 2.85Å; V149-Y213 PolarHBondContact O-N 3.42Å; L172-Y213 HydrophobicContact CB-CD2 3.96Å; L172-Y213 HydrophobicContact CB-CE2 4.27Å; L172-Y213 HydrophobicContact CD1-CG 4.45Å; L172-Y213 HydrophobicContact CD2-CD1 4.12Å; L172-Y213 HydrophobicContact CD2-CD2 4.08Å; L172-Y213 HydrophobicContact CD2-CE1 4.34Å; L172-Y213 HydrophobicContact CD2-CE2 4.27Å; L172-Y213 HydrophobicContact CD2-CG 4.01Å; L172-Y213 HydrophobicContact CG-CD2 4.44Å; A173-Y213 HydrophobicContact CB-CE2 4.03Å; V211-Y213 HydrophobicContact CG1-CD1 3.98Å; Y213-N215 HydrophobicContact CD2-CB 4.3Å; Y213-N215 HydrophobicContact CE2-CB 3.71Å; Y213-N215 PolarHBondContact OH-ND2 2.85Å
214	E	98.1	Very high	96.6	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.6	177.2	-173.6	-166.2	160.2	0	0	111.3	R146 Q147 L148 S174 T176 N216	R146-E214 HydrophobicContact CB-CG 4.26Å; R146-E214 VanDerWaalsContact CD-OE1 3.23Å; R146-E214 WeakPolarHBondContact CD-OE1 3.31Å; R146-E214 IonicContact CZ-OE1 3.7Å; R146-E214 IonicContact NE-OE1 3.05Å; R146-E214 IonicContact NH1-OE1 3.83Å; R146-E214 PolarHBondContact NH1-OE1 2.89Å; R146-E214 IonicContact NH1-OE2 3.59Å; Q147-E214 WeakPolarHBondContact O-CA 3.5Å; L148-E214 HydrophobicContact CD2-CB 3.7Å; L148-E214 HydrophobicContact CD2-CG 4.28Å; S174-E214 WeakPolarHBondContact OG-CB 3.4Å; S174-E214 PolarHBondContact OG-O 2.62Å; T176-E214 WeakPolarHBondContact CB-OE2 3.47Å; T176-E214 HydrophobicContact CG2-CB 4.17Å; T176-E214 WeakPolarHBondContact CG2-OE2 3.24Å; T176-E214 PolarHBondContact O-N 2.88Å; T176-E214 PolarHBondContact OG1-OE2 3.26Å; E214-N216 PolarHBondContact OE1-ND2 3.04Å
215	N	97.8	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.			trans	-143.8	100.5	177.6	-170.4	-9.6	0	0	0	110.2	T42 Q147 V149 A173 Y213 T217 F219	T42-N215 PolarHBondContact O-ND2 2.77Å; Q147-N215 WeakPolarHBondContact CB-O 3.36Å; Q147-N215 WeakPolarHBondContact CG-O 2.94Å; Q147-N215 PolarHBondContact NE2-O 2.9Å; Q147-N215 PolarHBondContact O-N 2.95Å; V149-N215 HydrophobicContact CG1-CB 4.4Å; V149-N215 HydrophobicContact CG2-CB 3.72Å; A173-N215 HydrophobicContact CB-CB 3.88Å; A173-N215 VanDerWaalsContact CB-CG 3.43Å; A173-N215 WeakPolarHBondContact CB-OD1 3.46Å; Y213-N215 HydrophobicContact CD2-CB 4.3Å; Y213-N215 HydrophobicContact CE2-CB 3.71Å; Y213-N215 PolarHBondContact OH-ND2 2.85Å; N215-T217 WeakPolarHBondContact OD1-CB 3.41Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.42Å; N215-T217 PolarHBondContact OD1-N 3.41Å; N215-T217 VanDerWaalsContact OD1-N 3.13Å; N215-T217 PolarHBondContact OD1-OG1 2.89Å; N215-F219 HydrophobicContact CB-CE2 4.45Å
216	N	95.8	Very high	97.1	Very high	30 Å²	30	31 Å²	31	16%	0.16	18%	0.18	C	C	.	.			trans	-101.3	17.3	177.4	-48.9	-77.1	0	0	0	112.9	R146 Q147 E214 I269	R146-N216 WeakPolarHBondContact CA-OD1 3.28Å; Q147-N216 PolarHBondContact N-OD1 2.95Å; E214-N216 PolarHBondContact OE1-ND2 3.04Å; N216-I269 HydrophobicContact CB-CG2 3.67Å
217	T	95.4	Very high	97.3	Very high	43 Å²	43	25.8 Å²	25.8	26%	0.264	16%	0.156	S	C	.	.	S	Bend	trans	-62.3	162	173.8	57.8	0	0	0	0	110.8	S41 N215 F219	S41-T217 VanDerWaalsContact O-CG2 3.25Å; S41-T217 WeakPolarHBondContact O-CG2 3.5Å; N215-T217 WeakPolarHBondContact OD1-CB 3.41Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.42Å; N215-T217 PolarHBondContact OD1-N 3.41Å; N215-T217 VanDerWaalsContact OD1-N 3.13Å; N215-T217 PolarHBondContact OD1-OG1 2.89Å; T217-F219 VanDerWaalsContact O-CD2 3.27Å; T217-F219 WeakPolarHBondContact O-CD2 3.4Å; T217-F219 PolarHBondContact O-N 3.13Å; T217-F219 VanDerWaalsContact O-N 3.11Å
218	P	93.6	Very high	97.5	Very high	72 Å²	72	24.6 Å²	24.6	47%	0.468	15%	0.149	S	C	.	.			trans	-59.7	110.6	174.4	-28.4	38.8	0	0	0	112.4	L220 V272	P218-L220 PolarHBondContact O-N 2.79Å; P218-V272 HydrophobicContact CB-CG2 3.68Å; P218-V272 HydrophobicContact CG-CG2 4.37Å
219	F	97.3	Very high	97.6	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.022	12%	0.118	C	C	.	.			trans	-92.6	77.7	172.3	-83.6	-128	0	0	0	108.7	H43 L134 Q147 V149 N215 T217 H247 T248 G249	H43-F219 HydrophobicContact CB-CB 4.29Å; H43-F219 HydrophobicContact CB-CD1 3.75Å; H43-F219 HydrophobicContact CB-CD2 3.66Å; H43-F219 HydrophobicContact CB-CE1 3.88Å; H43-F219 HydrophobicContact CB-CE2 3.81Å; H43-F219 HydrophobicContact CB-CG 3.63Å; H43-F219 HydrophobicContact CB-CZ 3.91Å; L134-F219 HydrophobicContact CB-CE1 4.09Å; L134-F219 HydrophobicContact CB-CZ 4.39Å; L134-F219 HydrophobicContact CD1-CZ 4.16Å; Q147-F219 VanDerWaalsContact NE2-CD2 3.33Å; Q147-F219 VanDerWaalsContact NE2-CE2 3.26Å; V149-F219 HydrophobicContact CG1-CE1 4.06Å; V149-F219 HydrophobicContact CG1-CZ 3.84Å; N215-F219 HydrophobicContact CB-CE2 4.45Å; T217-F219 VanDerWaalsContact O-CD2 3.27Å; T217-F219 WeakPolarHBondContact O-CD2 3.4Å; T217-F219 PolarHBondContact O-N 3.13Å; T217-F219 VanDerWaalsContact O-N 3.11Å; F219-H247 CarbonylContact O-C 3.58Å; F219-H247 VanDerWaalsContact O-CA 3.26Å; F219-H247 WeakPolarHBondContact O-CA 3.5Å; F219-T248 PolarHBondContact O-N 2.93Å; F219-T248 PolarHBondContact O-OG1 2.91Å; F219-G249 VanDerWaalsContact CB-N 3.32Å
220	L	97.4	Very high	97.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145.7	175.8	-69.2	179.6	0	0	0	111.1	H43 P218 M245 V272 F275 L317 Y355 V359	H43-L220 PolarHBondContact CE1-O 2.77Å; P218-L220 PolarHBondContact O-N 2.79Å; L220-M245 HydrophobicContact CB-SD 4.44Å; L220-M245 HydrophobicContact CD1-SD 3.75Å; L220-M245 HydrophobicContact CD2-CG 4.24Å; L220-M245 HydrophobicContact CD2-SD 4Å; L220-M245 HydrophobicContact CG-SD 4.28Å; L220-V272 HydrophobicContact CD1-CG1 3.95Å; L220-V272 HydrophobicContact CD1-CG2 4.39Å; L220-V272 HydrophobicContact CD2-CB 4.27Å; L220-V272 HydrophobicContact CD2-CG1 4.43Å; L220-V272 HydrophobicContact CD2-CG2 3.93Å; L220-V272 HydrophobicContact CG-CG1 4.43Å; L220-V272 HydrophobicContact CG-CG2 4Å; L220-F275 HydrophobicContact CD1-CD1 3.9Å; L220-F275 HydrophobicContact CD1-CE1 4.41Å; L220-F275 HydrophobicContact CD1-CG 4.4Å; L220-L317 HydrophobicContact CD2-CD1 3.84Å; L220-Y355 VanDerWaalsContact C-OH 3.28Å; L220-Y355 HydrophobicContact CB-CE1 4.36Å; L220-Y355 HydrophobicContact CB-CE2 3.83Å; L220-Y355 HydrophobicContact CD1-CD2 4.41Å; L220-Y355 PolarHBondContact O-OH 2.85Å; L220-V359 WeakPolarHBondContact O-CG1 3.48Å
221	T	98.4	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.2	172.6	-61.6	0	0	0	0	109	H132 S223 M245 R246 T248 V359 D361	H132-T221 PolarHBondContact CE1-OG1 3.02Å; T221-S223 PolarHBondContact O-N 2.93Å; T221-M245 WeakPolarHBondContact O-CA 3.35Å; T221-R246 PolarHBondContact N-O 3.16Å; T221-R246 PolarHBondContact O-N 3.19Å; T221-T248 HydrophobicContact CG2-CG2 4.36Å; T221-T248 WeakPolarHBondContact OG1-CG2 3.43Å; T221-T248 PolarHBondContact OG1-OG1 2.96Å; T221-T248 VanDerWaalsContact OG1-OG1 3.09Å; T221-V359 HydrophobicContact CG2-CG1 4.02Å; T221-D361 WeakPolarHBondContact CG2-OD1 3.4Å; T221-D361 VanDerWaalsContact CG2-OD2 3.31Å; T221-D361 WeakPolarHBondContact CG2-OD2 3.35Å
222	I	98.6	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	108.4	168	-65	159.9	0	0	0	106.9	I225 I243 D244 M245 V354 Y355 V359 I360 D361	I222-I225 HydrophobicContact CG2-CB 3.84Å; I222-I225 HydrophobicContact CG2-CG2 4.04Å; I222-I243 HydrophobicContact CG1-CG2 4.13Å; I222-I243 HydrophobicContact CG2-CG2 4.15Å; I222-D244 CarbonylContact C-O 3.58Å; I222-D244 WeakPolarHBondContact CA-O 3.4Å; I222-M245 HydrophobicContact CG1-CE 4.05Å; I222-V354 HydrophobicContact CD1-CB 3.85Å; I222-V354 HydrophobicContact CD1-CG1 3.9Å; I222-V354 HydrophobicContact CD1-CG2 3.9Å; I222-Y355 HydrophobicContact CD1-CD1 4.18Å; I222-Y355 HydrophobicContact CD1-CE1 3.66Å; I222-Y355 HydrophobicContact CG1-CE1 3.9Å; I222-V359 WeakPolarHBondContact CB-O 3.38Å; I222-V359 PolarHBondContact N-O 2.82Å; I222-I360 HydrophobicContact CB-CB 4.45Å; I222-I360 HydrophobicContact CB-CG1 3.94Å; I222-I360 HydrophobicContact CD1-CD1 4.39Å; I222-I360 HydrophobicContact CD1-CG1 3.72Å; I222-I360 HydrophobicContact CG1-CG1 4.44Å; I222-I360 HydrophobicContact CG2-CG1 4.15Å; I222-I360 HydrophobicContact CG2-CG2 4.3Å; I222-I360 WeakPolarHBondContact O-CA 3.45Å; I222-D361 PolarHBondContact O-N 2.86Å
223	S	98.3	Very high	97.4	Very high	33 Å²	33	20.7 Å²	20.7	23%	0.231	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-40	179.1	-55	0	0	0	0	110.8	T221 D244 R246 D361 S362	T221-S223 PolarHBondContact O-N 2.93Å; S223-D244 PolarHBondContact N-O 3.02Å; S223-R246 VanDerWaalsContact OG-CD 3.28Å; S223-R246 WeakPolarHBondContact OG-CD 3.23Å; S223-R246 WeakPolarHBondContact OG-CG 3.47Å; S223-R246 PolarHBondContact OG-NE 2.87Å; S223-D361 WeakPolarHBondContact O-CB 3.17Å; S223-S362 PolarHBondContact O-N 2.98Å
224	S	98.4	Very high	97.2	Very high	38 Å²	38	27.6 Å²	27.6	27%	0.266	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.3	174.7	30.6	0	0	0	0	110.2	D244 S362	S224-D244 PolarHBondContact N-O 3.19Å; S224-D244 PolarHBondContact O-N 2.89Å; S224-D244 WeakPolarHBondContact OG-CB 3.5Å; S224-D244 PolarHBondContact OG-OD2 2.82Å; S224-S362 CarbonylContact C-O 3.53Å; S224-S362 VanDerWaalsContact CA-O 3.31Å; S224-S362 WeakPolarHBondContact CA-O 3.37Å
225	I	98.4	Very high	96.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.6	167.6	179.9	170.5	0	0	0	109.1	I222 E241 T242 I243 V354 I360 S362 L363 T364	I222-I225 HydrophobicContact CG2-CB 3.84Å; I222-I225 HydrophobicContact CG2-CG2 4.04Å; I225-E241 HydrophobicContact CD1-CB 4.3Å; I225-E241 HydrophobicContact CD1-CG 4.39Å; I225-E241 HydrophobicContact CG1-CB 4.45Å; I225-T242 WeakPolarHBondContact CA-O 3.17Å; I225-I243 HydrophobicContact CB-CG1 4.33Å; I225-I243 HydrophobicContact CD1-CD1 4.05Å; I225-I243 HydrophobicContact CD1-CG1 3.71Å; I225-I243 HydrophobicContact CG1-CG1 3.77Å; I225-V354 HydrophobicContact CD1-CG2 4.12Å; I225-I360 HydrophobicContact CG2-CD1 4.2Å; I225-I360 HydrophobicContact CG2-CG1 4.33Å; I225-I360 HydrophobicContact CG2-CG2 3.55Å; I225-S362 PolarHBondContact N-O 2.98Å; I225-L363 HydrophobicContact CG2-CB 4.14Å; I225-L363 HydrophobicContact CG2-CD1 3.59Å; I225-L363 HydrophobicContact CG2-CG 4.47Å; I225-L363 WeakPolarHBondContact O-CA 3.31Å; I225-T364 PolarHBondContact O-N 2.84Å
226	T	98.6	Very high	96.8	Very high	41 Å²	41	31.1 Å²	31.1	25%	0.252	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109	169.8	-57.9	0	0	0	0	108.1	I228 E241 T242 T364 K366	T226-I228 HydrophobicContact CG2-CG1 4.24Å; T226-E241 WeakPolarHBondContact O-CA 3.49Å; T226-T242 PolarHBondContact N-O 3.03Å; T226-T242 PolarHBondContact O-N 3.18Å; T226-T364 CarbonylContact C-O 3.54Å; T226-T364 WeakPolarHBondContact CA-O 3.28Å; T226-K366 HydrophobicContact CG2-CD 4.42Å
227	R	98.4	Very high	96.9	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.011	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.6	177.8	-178.1	173.9	179.2	91.6	-8.3	109	I229 V239 E241 Y329 D352 L363 T364 V365 K366	R227-I229 HydrophobicContact CG-CG1 4.23Å; R227-V239 HydrophobicContact CG-CG1 4.32Å; R227-E241 HydrophobicContact CB-CG 4.14Å; R227-E241 VanDerWaalsContact CD-OE1 3.28Å; R227-E241 WeakPolarHBondContact CD-OE1 3.41Å; R227-E241 HydrophobicContact CG-CG 3.94Å; R227-E241 IonicContact CZ-OE1 2.72Å; R227-E241 IonicContact NE-OE1 3.53Å; R227-E241 IonicContact NH1-OE1 3.33Å; R227-E241 PolarHBondContact NH1-OE1 2.89Å; R227-E241 IonicContact NH1-OE2 3.9Å; R227-Y329 PolarHBondContact NH1-OH 3.17Å; R227-Y329 PolarHBondContact NH2-OH 2.86Å; R227-D352 IonicContact CZ-OD2 2.59Å; R227-D352 VanDerWaalsContact NH1-CB 3.3Å; R227-D352 IonicContact NH1-OD2 2.86Å; R227-D352 IonicContact NH2-OD2 3.82Å; R227-D352 PolarHBondContact NH2-OD2 2.78Å; R227-D352 VanDerWaalsContact NH2-OD2 3.09Å; R227-L363 HydrophobicContact CB-CD1 4.42Å; R227-T364 PolarHBondContact N-O 2.94Å; R227-V365 CarbonylContact O-C 3.49Å; R227-V365 WeakPolarHBondContact O-CA 3.38Å; R227-K366 PolarHBondContact O-N 3.42Å
228	I	98.6	Very high	97	Very high	41 Å²	41	29 Å²	29	21%	0.21	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.5	176	-63	163.7	0	0	0	107.9	T226 V239 E240 K366 I368	T226-I228 HydrophobicContact CG2-CG1 4.24Å; I228-V239 CarbonylContact O-C 3.56Å; I228-V239 WeakPolarHBondContact O-CA 3.3Å; I228-E240 PolarHBondContact N-O 3.47Å; I228-E240 PolarHBondContact O-N 2.69Å; I228-K366 CarbonylContact C-O 3.56Å; I228-K366 WeakPolarHBondContact CA-O 3.34Å; I228-K366 HydrophobicContact CG1-CB 4.16Å; I228-K366 HydrophobicContact CG1-CD 4.32Å; I228-I368 HydrophobicContact CG2-CD1 3.65Å; I228-I368 HydrophobicContact CG2-CG1 4.27Å
229	I	98.4	Very high	97.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	108.7	175.9	-57	174.1	0	0	0	106.9	R227 I237 V239 M348 V365 K366 L367 I368	R227-I229 HydrophobicContact CG-CG1 4.23Å; I229-I237 HydrophobicContact CG2-CG2 3.76Å; I229-V239 HydrophobicContact CG1-CG1 4.46Å; I229-V239 HydrophobicContact CG1-CG2 4.38Å; I229-M348 HydrophobicContact CD1-SD 4.44Å; I229-M348 HydrophobicContact CG2-CE 4.29Å; I229-M348 HydrophobicContact CG2-SD 3.62Å; I229-V365 HydrophobicContact CD1-CG1 4.49Å; I229-K366 PolarHBondContact N-O 2.77Å; I229-L367 HydrophobicContact CB-CG 4.5Å; I229-L367 CarbonylContact O-C 3.57Å; I229-L367 WeakPolarHBondContact O-CA 3.49Å; I229-I368 PolarHBondContact O-N 2.88Å
230	E	98.2	Very high	97.3	Very high	51 Å²	51	27.6 Å²	27.6	24%	0.238	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.4	177.3	-177.6	171.3	-177.6	0	0	111.1	I237 A238 I368 R401	E230-I237 CarbonylContact O-C 3.58Å; E230-I237 WeakPolarHBondContact O-CA 3.43Å; E230-A238 HydrophobicContact CB-CB 4.46Å; E230-A238 PolarHBondContact N-O 3.19Å; E230-A238 PolarHBondContact O-N 2.79Å; E230-I368 HydrophobicContact CB-CB 4.28Å; E230-I368 HydrophobicContact CB-CD1 4.42Å; E230-I368 HydrophobicContact CG-CB 4.24Å; E230-I368 HydrophobicContact CG-CG2 4.27Å; E230-R401 IonicContact OE1-CZ 2.88Å; E230-R401 IonicContact OE1-NH1 3.97Å; E230-R401 PolarHBondContact OE1-NH1 3.31Å
231	V	97.7	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.5	-179.4	-176.2	0	0	0	0	110.1	I237 L337 L346 I368 L369 R401	V231-I237 HydrophobicContact CG1-CG1 4.45Å; V231-L337 HydrophobicContact CG1-CD2 4.43Å; V231-L346 HydrophobicContact CG2-CD1 4.27Å; V231-L346 HydrophobicContact CG2-CD2 3.74Å; V231-I368 PolarHBondContact N-O 2.81Å; V231-L369 HydrophobicContact CG2-CD2 4.49Å; V231-R401 PolarHBondContact O-NH1 3.19Å
232	S	95.6	Very high	97.3	Very high	27 Å²	27	29 Å²	29	19%	0.189	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.3	172.1	-177.6	0	0	0	0	111.4	W234 G235 N236	S232-W234 PolarHBondContact O-N 2.72Å; S232-W234 PolarHBondContact OG-N 2.97Å; S232-G235 PolarHBondContact O-N 3.49Å; S232-G235 VanDerWaalsContact O-N 3.15Å; S232-N236 WeakPolarHBondContact CA-O 3.49Å; S232-N236 VanDerWaalsContact CB-O 3.31Å; S232-N236 WeakPolarHBondContact CB-O 3.38Å; S232-N236 PolarHBondContact N-O 3.11Å; S232-N236 PolarHBondContact O-N 2.59Å
233	H	94.8	Very high	97.3	Very high	33 Å²	33	29 Å²	29	15%	0.153	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.4	177	-70.6	34.2	0	0	0	112.7	G235 Y344 P370 Y423 F425 M430	H233-G235 PolarHBondContact O-N 3.01Å; H233-Y344 AromaticContact CD2-CE1 3.43Å; H233-Y344 VanDerWaalsContact CD2-CE1 3.43Å; H233-Y344 WeakPolarHBondContact CD2-CE1 3.34Å; H233-Y344 AromaticContact CD2-CZ 3.65Å; H233-Y344 AromaticContact NE2-CD1 3.44Å; H233-Y344 WeakPolarHBondContact NE2-CD1 3.41Å; H233-Y344 AromaticContact NE2-CE1 3.39Å; H233-Y344 WeakPolarHBondContact NE2-CE1 3.45Å; H233-Y344 AromaticContact NE2-CG 3.88Å; H233-Y344 AromaticContact NE2-CZ 3.79Å; H233-P370 WeakPolarHBondContact CE1-CG 3.49Å; H233-P370 WeakPolarHBondContact ND1-CG 3.31Å; H233-Y423 AromaticContact CE1-CE2 3.82Å; H233-Y423 AromaticContact CE1-CZ 3.73Å; H233-Y423 PolarHBondContact CE1-OH 3.13Å; H233-Y423 AromaticContact NE2-CE2 3.6Å; H233-Y423 AromaticContact NE2-CZ 3.82Å; H233-Y423 PolarHBondContact NE2-OH 3.38Å; H233-Y423 VanDerWaalsContact NE2-OH 3.12Å; H233-F425 AromaticContact CD2-CD1 3.44Å; H233-F425 VanDerWaalsContact CD2-CD1 3.44Å; H233-F425 WeakPolarHBondContact CD2-CD1 3.5Å; H233-F425 AromaticContact CD2-CE1 3.69Å; H233-F425 AromaticContact NE2-CD1 3.87Å; H233-M430 HydrophobicContact CB-CE 3.86Å; H233-M430 HydrophobicContact CB-SD 3.74Å; H233-M430 WeakPolarHBondContact O-CE 3.4Å
234	W	93.7	Very high	97.4	Very high	145 Å²	145	30.1 Å²	30.1	55%	0.549	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.3	168.6	-65.2	102.6	0	0	0	113.3	S232 M430 E433 P434	S232-W234 PolarHBondContact O-N 2.72Å; S232-W234 PolarHBondContact OG-N 2.97Å; W234-M430 HydrophobicContact CD2-CE 3.74Å; W234-M430 HydrophobicContact CE3-CE 4.08Å; W234-M430 HydrophobicContact CG-CE 4.06Å; W234-M430 HydrophobicContact CZ2-CB 4.43Å; W234-M430 HydrophobicContact CZ2-CE 4.31Å; W234-E433 PolarHBondContact NE1-OE2 3.21Å; W234-P434 HydrophobicContact CH2-CG 3.98Å; W234-P434 HydrophobicContact CZ2-CG 4.15Å
235	G	91.4	Very high	97.3	Very high	34 Å²	34	28.4 Å²	28.4	35%	0.351	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	132.5	2.7	166.7	0	0	0	0	0	116.7	S232 H233 S333	S232-G235 PolarHBondContact O-N 3.49Å; S232-G235 VanDerWaalsContact O-N 3.15Å; H233-G235 PolarHBondContact O-N 3.01Å; G235-S333 WeakPolarHBondContact CA-OG 3.42Å; G235-S333 PolarHBondContact O-N 2.88Å; G235-S333 VanDerWaalsContact O-N 3.1Å; G235-S333 PolarHBondContact O-OG 3.09Å
236	N	95.1	Very high	97.3	Very high	54 Å²	54	32.4 Å²	32.4	29%	0.289	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.1	-175.8	-176.5	42.1	0	0	0	111.5	S232 N330 L331	S232-N236 WeakPolarHBondContact CA-O 3.49Å; S232-N236 VanDerWaalsContact CB-O 3.31Å; S232-N236 WeakPolarHBondContact CB-O 3.38Å; S232-N236 PolarHBondContact N-O 3.11Å; S232-N236 PolarHBondContact O-N 2.59Å; N236-N330 PolarHBondContact ND2-OD1 2.84Å; N236-N330 WeakPolarHBondContact OD1-CB 3.32Å; N236-L331 PolarHBondContact OD1-N 3.29Å; N236-L331 PolarHBondContact OD1-O 2.82Å; N236-L331 VanDerWaalsContact OD1-O 3.09Å
237	I	97.9	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.2	163.4	-60	165.3	0	0	0	106.9	I229 E230 V231 V239 L331 L346 M348	I229-I237 HydrophobicContact CG2-CG2 3.76Å; E230-I237 CarbonylContact O-C 3.58Å; E230-I237 WeakPolarHBondContact O-CA 3.43Å; V231-I237 HydrophobicContact CG1-CG1 4.45Å; I237-V239 HydrophobicContact CG2-CG2 4.48Å; I237-L331 HydrophobicContact CB-CB 4.44Å; I237-L331 PolarHBondContact N-O 3.24Å; I237-L331 PolarHBondContact O-N 2.97Å; I237-L346 HydrophobicContact CD1-CD1 3.67Å; I237-M348 HydrophobicContact CD1-SD 4.38Å; I237-M348 HydrophobicContact CG2-CE 4.07Å; I237-M348 HydrophobicContact CG2-SD 3.83Å
238	A	98.3	Very high	97.2	Very high	29 Å²	29	32.1 Å²	32.1	24%	0.24	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.4	177.1	0	0	0	0	0	109.5	E230	E230-A238 HydrophobicContact CB-CB 4.46Å; E230-A238 PolarHBondContact N-O 3.19Å; E230-A238 PolarHBondContact O-N 2.79Å
239	V	98.4	Very high	97.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.4	174.1	-175.6	0	0	0	0	108.3	R227 I228 I229 I237 E241 G328 Y329 L331 M348	R227-V239 HydrophobicContact CG-CG1 4.32Å; I228-V239 CarbonylContact O-C 3.56Å; I228-V239 WeakPolarHBondContact O-CA 3.3Å; I229-V239 HydrophobicContact CG1-CG1 4.46Å; I229-V239 HydrophobicContact CG1-CG2 4.38Å; I237-V239 HydrophobicContact CG2-CG2 4.48Å; V239-E241 HydrophobicContact CG1-CG 4.45Å; V239-G328 CarbonylContact O-C 3.58Å; V239-G328 WeakPolarHBondContact O-CA 2.99Å; V239-Y329 HydrophobicContact CB-CD1 4.4Å; V239-Y329 HydrophobicContact CB-CD2 4.36Å; V239-Y329 HydrophobicContact CB-CE1 3.96Å; V239-Y329 HydrophobicContact CB-CE2 3.96Å; V239-Y329 HydrophobicContact CG1-CE1 3.88Å; V239-Y329 HydrophobicContact CG1-CE2 4.46Å; V239-Y329 HydrophobicContact CG2-CE2 4.13Å; V239-Y329 PolarHBondContact N-O 3.29Å; V239-Y329 PolarHBondContact O-N 2.92Å; V239-L331 HydrophobicContact CG2-CD1 4.19Å; V239-M348 HydrophobicContact CG2-CE 3.86Å
240	E	98.5	Very high	97.1	Very high	44 Å²	44	30.3 Å²	30.3	21%	0.206	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129	172.1	-169.9	-177.2	64.8	0	0	108.9	I228 Y287 R289 I326	I228-E240 PolarHBondContact N-O 3.47Å; I228-E240 PolarHBondContact O-N 2.69Å; E240-Y287 HydrophobicContact CG-CE2 4.46Å; E240-Y287 WeakPolarHBondContact CG-OH 3.17Å; E240-Y287 PolarHBondContact OE2-OH 2.57Å; E240-R289 IonicContact OE2-CZ 3.33Å; E240-R289 IonicContact OE2-NE 3.69Å; E240-R289 IonicContact OE2-NH2 3.41Å; E240-R289 PolarHBondContact OE2-NH2 2.76Å; E240-R289 VanDerWaalsContact OE2-NH2 3.14Å; E240-I326 HydrophobicContact CG-CG2 3.4Å; E240-I326 WeakPolarHBondContact OE2-CG2 3.37Å
241	E	98.4	Very high	97.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.3	176.8	-62.9	-169.2	132.8	0	0	110	I225 T226 R227 V239 I243 I326 I327	I225-E241 HydrophobicContact CD1-CB 4.3Å; I225-E241 HydrophobicContact CD1-CG 4.39Å; I225-E241 HydrophobicContact CG1-CB 4.45Å; T226-E241 WeakPolarHBondContact O-CA 3.49Å; R227-E241 HydrophobicContact CB-CG 4.14Å; R227-E241 VanDerWaalsContact CD-OE1 3.28Å; R227-E241 WeakPolarHBondContact CD-OE1 3.41Å; R227-E241 HydrophobicContact CG-CG 3.94Å; R227-E241 IonicContact CZ-OE1 2.72Å; R227-E241 IonicContact NE-OE1 3.53Å; R227-E241 IonicContact NH1-OE1 3.33Å; R227-E241 PolarHBondContact NH1-OE1 2.89Å; R227-E241 IonicContact NH1-OE2 3.9Å; V239-E241 HydrophobicContact CG1-CG 4.45Å; E241-I243 HydrophobicContact CB-CD1 4.11Å; E241-I243 HydrophobicContact CB-CG1 4.21Å; E241-I326 VanDerWaalsContact O-CA 3.29Å; E241-I326 WeakPolarHBondContact O-CA 3.49Å; E241-I327 HydrophobicContact CB-CG2 4.01Å; E241-I327 PolarHBondContact N-O 2.85Å; E241-I327 PolarHBondContact O-N 2.85Å
242	T	98.6	Very high	97.1	Very high	30 Å²	30	34.2 Å²	34.2	18%	0.184	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.6	169.2	-56.7	0	0	0	0	108.6	I225 T226 H324 I326	I225-T242 WeakPolarHBondContact CA-O 3.17Å; T226-T242 PolarHBondContact N-O 3.03Å; T226-T242 PolarHBondContact O-N 3.18Å; T242-H324 WeakPolarHBondContact CG2-CE1 3.36Å; T242-I326 HydrophobicContact CG2-CG1 4.19Å
243	I	98.6	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.1	-169.2	-63.5	164.5	0	0	0	110.1	I222 I225 E241 M245 H324 Y325 I327 V354	I222-I243 HydrophobicContact CG1-CG2 4.13Å; I222-I243 HydrophobicContact CG2-CG2 4.15Å; I225-I243 HydrophobicContact CB-CG1 4.33Å; I225-I243 HydrophobicContact CD1-CD1 4.05Å; I225-I243 HydrophobicContact CD1-CG1 3.71Å; I225-I243 HydrophobicContact CG1-CG1 3.77Å; E241-I243 HydrophobicContact CB-CD1 4.11Å; E241-I243 HydrophobicContact CB-CG1 4.21Å; I243-M245 HydrophobicContact CG2-CB 4.34Å; I243-M245 HydrophobicContact CG2-CE 4.09Å; I243-H324 WeakPolarHBondContact O-CA 3.27Å; I243-Y325 HydrophobicContact CB-CD1 4.49Å; I243-Y325 HydrophobicContact CB-CD2 4.45Å; I243-Y325 HydrophobicContact CB-CE1 4.08Å; I243-Y325 HydrophobicContact CB-CE2 4.07Å; I243-Y325 HydrophobicContact CD1-CD2 4.49Å; I243-Y325 HydrophobicContact CD1-CE2 3.58Å; I243-Y325 HydrophobicContact CG1-CE2 4.35Å; I243-Y325 HydrophobicContact CG2-CE1 3.83Å; I243-Y325 HydrophobicContact CG2-CE2 4.49Å; I243-Y325 PolarHBondContact N-O 2.95Å; I243-Y325 PolarHBondContact O-N 2.94Å; I243-I327 HydrophobicContact CD1-CG2 4.1Å; I243-V354 HydrophobicContact CD1-CG1 3.98Å; I243-V354 HydrophobicContact CD1-CG2 4.29Å
244	D	98.5	Very high	97.1	Very high	56 Å²	56	40.1 Å²	40.1	30%	0.299	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.3	166.4	-66.7	-59	0	0	0	109.5	I222 S223 S224 H324	I222-D244 CarbonylContact C-O 3.58Å; I222-D244 WeakPolarHBondContact CA-O 3.4Å; S223-D244 PolarHBondContact N-O 3.02Å; S224-D244 PolarHBondContact N-O 3.19Å; S224-D244 PolarHBondContact O-N 2.89Å; S224-D244 WeakPolarHBondContact OG-CB 3.5Å; S224-D244 PolarHBondContact OG-OD2 2.82Å; D244-H324 IonicContact OD1-CE1 2.86Å; D244-H324 IonicContact OD1-CG 2.79Å; D244-H324 IonicContact OD1-ND1 2.68Å; D244-H324 PolarHBondContact OD1-ND1 3.35Å
245	M	97.6	Very high	97.2	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.9	-176	-171.1	-178.9	-64.7	0	0	111	L220 T221 I222 I243 F275 K322 T323 Y325 V354 Y355	L220-M245 HydrophobicContact CB-SD 4.44Å; L220-M245 HydrophobicContact CD1-SD 3.75Å; L220-M245 HydrophobicContact CD2-CG 4.24Å; L220-M245 HydrophobicContact CD2-SD 4Å; L220-M245 HydrophobicContact CG-SD 4.28Å; T221-M245 WeakPolarHBondContact O-CA 3.35Å; I222-M245 HydrophobicContact CG1-CE 4.05Å; I243-M245 HydrophobicContact CG2-CB 4.34Å; I243-M245 HydrophobicContact CG2-CE 4.09Å; M245-F275 HydrophobicContact CE-CE1 4.18Å; M245-F275 HydrophobicContact CE-CE2 4.02Å; M245-F275 HydrophobicContact CE-CZ 3.67Å; M245-F275 HydrophobicContact SD-CD1 4.47Å; M245-F275 HydrophobicContact SD-CE1 3.75Å; M245-F275 HydrophobicContact SD-CZ 3.85Å; M245-K322 CarbonylContact O-C 3.49Å; M245-K322 VanDerWaalsContact O-CA 3.24Å; M245-K322 WeakPolarHBondContact O-CA 3.41Å; M245-T323 HydrophobicContact CB-CG2 3.89Å; M245-T323 PolarHBondContact N-O 2.86Å; M245-T323 PolarHBondContact O-N 2.81Å; M245-T323 VanDerWaalsContact O-O 3.12Å; M245-Y325 HydrophobicContact CE-CE1 3.86Å; M245-Y325 VanDerWaalsContact CE-OH 3.3Å; M245-Y325 WeakPolarHBondContact CE-OH 3.48Å; M245-V354 HydrophobicContact CE-CG1 4.2Å; M245-Y355 HydrophobicContact CE-CD1 4.25Å; M245-Y355 HydrophobicContact CE-CE1 4.39Å
246	R	97.9	Very high	97.4	Very high	86 Å²	86	40.3 Å²	40.3	33%	0.325	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.2	177.1	64.3	178	172.8	155.7	-4.3	111.4	T221 S223 T248 W321 K322 D361	T221-R246 PolarHBondContact N-O 3.16Å; T221-R246 PolarHBondContact O-N 3.19Å; S223-R246 VanDerWaalsContact OG-CD 3.28Å; S223-R246 WeakPolarHBondContact OG-CD 3.23Å; S223-R246 WeakPolarHBondContact OG-CG 3.47Å; S223-R246 PolarHBondContact OG-NE 2.87Å; R246-T248 HydrophobicContact CG-CG2 3.88Å; R246-W321 WeakPolarHBondContact CA-O 3.39Å; R246-K322 HydrophobicContact CB-CG 3.89Å; R246-D361 IonicContact CZ-OD2 2.65Å; R246-D361 IonicContact NH2-OD2 3.84Å; R246-D361 PolarHBondContact NH2-OD2 3.07Å
247	H	98.1	Very high	97.5	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.6	170.3	-168	-59	0	0	0	110.3	F219 G249 S270 L317 F318 G319 G320 W321	F219-H247 CarbonylContact O-C 3.58Å; F219-H247 VanDerWaalsContact O-CA 3.26Å; F219-H247 WeakPolarHBondContact O-CA 3.5Å; H247-G249 PolarHBondContact ND1-N 3.26Å; H247-G249 VanDerWaalsContact ND1-N 3.18Å; H247-S270 PolarHBondContact NE2-O 3.38Å; H247-L317 HydrophobicContact CB-CB 4.19Å; H247-L317 PolarHBondContact CD2-O 2.9Å; H247-L317 VanDerWaalsContact CD2-O 3.29Å; H247-F318 WeakPolarHBondContact CB-O 3.34Å; H247-G319 WeakPolarHBondContact ND1-CA 3.31Å; H247-G320 PolarHBondContact O-N 3.05Å; H247-W321 PolarHBondContact N-O 2.83Å
248	T	97.4	Very high	97.3	Very high	35 Å²	35	45.8 Å²	45.8	22%	0.215	24%	0.242	C	C	.	.			trans	-96.7	-1.7	-173.6	48.1	0	0	0	0	114.7	F219 T221 R246	F219-T248 PolarHBondContact O-N 2.93Å; F219-T248 PolarHBondContact O-OG1 2.91Å; T221-T248 HydrophobicContact CG2-CG2 4.36Å; T221-T248 WeakPolarHBondContact OG1-CG2 3.43Å; T221-T248 PolarHBondContact OG1-OG1 2.96Å; T221-T248 VanDerWaalsContact OG1-OG1 3.09Å; R246-T248 HydrophobicContact CG-CG2 3.88Å
249	G	97	Very high	97.2	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	-65	-171	169.7	0	0	0	0	0	114.3	F219 H247 F251	F219-G249 VanDerWaalsContact CB-N 3.32Å; H247-G249 PolarHBondContact ND1-N 3.26Å; H247-G249 VanDerWaalsContact ND1-N 3.18Å; G249-F251 PolarHBondContact O-N 3.35Å
250	A	97.8	Very high	97	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.017	27%	0.269	C	S	.	.	S	Bend	trans	-58.1	131.1	-178.9	0	0	0	0	0	111.8	P136 I141 Q147 G319	P136-A250 HydrophobicContact CB-CB 3.83Å; I141-A250 HydrophobicContact CB-CB 4.3Å; I141-A250 HydrophobicContact CD1-CB 3.78Å; I141-A250 HydrophobicContact CG1-CB 3.66Å; I141-A250 HydrophobicContact CG2-CB 3.87Å; Q147-A250 HydrophobicContact CG-CB 4.26Å; A250-G319 WeakPolarHBondContact O-CA 3.28Å
251	F	97.9	Very high	96.8	Very high	103 Å²	103	52.6 Å²	52.6	45%	0.452	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	142.3	-176.4	-75.1	-94.9	0	0	0	112.1	T139 H140 I141 G249 K253 G319 G320	T139-F251 PolarHBondContact O-N 3.19Å; H140-F251 CarbonylContact C-O 3.53Å; H140-F251 VanDerWaalsContact CA-O 3.26Å; H140-F251 WeakPolarHBondContact CA-O 3.44Å; I141-F251 PolarHBondContact N-O 2.83Å; G249-F251 PolarHBondContact O-N 3.35Å; F251-K253 PolarHBondContact O-N 2.9Å; F251-G319 WeakPolarHBondContact CA-O 3.32Å; F251-G320 VanDerWaalsContact CD1-CA 3.49Å
252	L	97.3	Very high	96.5	Very high	30 Å²	30	59 Å²	59	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121	173.9	-178.2	63.2	0	0	0	110.7	I141 Q143 F256 F318 G319 W321	I141-L252 CarbonylContact O-C 3.57Å; I141-L252 WeakPolarHBondContact O-CA 3.36Å; Q143-L252 HydrophobicContact CB-CD1 4.13Å; L252-F256 HydrophobicContact CD2-CB 4.06Å; L252-F318 HydrophobicContact CB-CB 4.03Å; L252-F318 HydrophobicContact CD1-CD1 3.9Å; L252-F318 HydrophobicContact CD1-CE1 4.32Å; L252-F318 HydrophobicContact CD2-CB 4.2Å; L252-F318 HydrophobicContact CD2-CD1 4.39Å; L252-F318 HydrophobicContact CD2-CG 4.19Å; L252-G319 PolarHBondContact N-O 2.88Å; L252-G319 VanDerWaalsContact N-O 3.17Å; L252-W321 HydrophobicContact CD2-CZ2 3.91Å
253	K	96.3	Very high	96.2	Very high	128 Å²	128	65.8 Å²	65.8	56%	0.557	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-99.3	127.2	173.9	-169.9	-178.8	174.1	-174.9	0	110.3	H140 I141 T142 F251	H140-K253 HydrophobicContact CB-CB 4.17Å; H140-K253 HydrophobicContact CB-CD 4.42Å; I141-K253 PolarHBondContact O-N 2.82Å; T142-K253 HydrophobicContact CG2-CB 4.44Å; F251-K253 PolarHBondContact O-N 2.9Å
254	G	95.3	Very high	95.8	Very high	56 Å²	56	70.4 Å²	70.4	58%	0.577	34%	0.339	S	S	*	.	S	Bend	trans	83.5	-167.9	178.2	0	0	0	0	0	113
255	P	94.8	Very high	95	Very high	117 Å²	117	73 Å²	73	76%	0.76	36%	0.361	S	S	*	.			trans	-76	147.5	-174.5	31.1	-34.5	0	0	0	112
256	F	96.5	Very high	94.4	Very high	67 Å²	67	77.4 Å²	77.4	29%	0.294	39%	0.385	S	S	.	.			trans	-82.9	124.6	163.9	172	-109.1	0	0	0	110.1	L252 R258 Y261 P316 F318 W321	L252-F256 HydrophobicContact CD2-CB 4.06Å; F256-R258 HydrophobicContact CE1-CB 3.92Å; F256-R258 HydrophobicContact CZ-CB 4.16Å; F256-Y261 HydrophobicContact CE2-CD2 4.22Å; F256-Y261 HydrophobicContact CE2-CG 4.11Å; F256-Y261 HydrophobicContact CZ-CG 4.4Å; F256-P316 HydrophobicContact CZ-CG 4.49Å; F256-F318 HydrophobicContact CD2-CD2 4.37Å; F256-F318 AromaticContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CZ 4.3Å; F256-F318 HydrophobicContact CE2-CD2 4.46Å; F256-F318 AromaticContact CE2-CE2 3.66Å; F256-F318 HydrophobicContact CE2-CE2 3.66Å; F256-F318 HydrophobicContact CE2-CZ 4.21Å; F256-W321 HydrophobicContact CB-CH2 4.23Å; F256-W321 HydrophobicContact CB-CZ2 4.23Å; F256-W321 HydrophobicContact CD1-CH2 4.22Å; F256-W321 HydrophobicContact CD2-CH2 4.31Å; F256-W321 AromaticContact CG-CH2 3.99Å; F256-W321 HydrophobicContact CG-CH2 3.99Å; F256-W321 HydrophobicContact CG-CZ2 4.46Å
257	S	95.9	Very high	94.1	Very high	34 Å²	34	73.5 Å²	73.5	24%	0.238	37%	0.37	C	S	.	.			trans	-111.4	105.3	174.9	175	0	0	0	0	109.8	Q143 Y259 D260 Y261	Q143-S257 PolarHBondContact NE2-O 2.82Å; Q143-S257 PolarHBondContact OE1-O 3.21Å; S257-Y259 PolarHBondContact O-N 2.78Å; S257-D260 WeakPolarHBondContact CB-OD2 3.49Å; S257-D260 PolarHBondContact O-N 3.14Å; S257-D260 VanDerWaalsContact OG-CG 3.28Å; S257-D260 PolarHBondContact OG-N 2.84Å; S257-D260 PolarHBondContact OG-OD2 3.42Å; S257-Y261 WeakPolarHBondContact O-CB 3.33Å; S257-Y261 PolarHBondContact O-N 3.01Å
258	R	95.1	Very high	93.7	Very high	135 Å²	135	73.5 Å²	73.5	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-33.9	174.5	173.9	162.4	-83.2	-133.5	-2.4	112.2	F256 Y261 Q262	F256-R258 HydrophobicContact CE1-CB 3.92Å; F256-R258 HydrophobicContact CZ-CB 4.16Å; R258-Y261 PolarHBondContact O-N 2.91Å; R258-Q262 HydrophobicContact CG-CG 4.29Å; R258-Q262 WeakPolarHBondContact O-CB 3.36Å; R258-Q262 WeakPolarHBondContact O-CG 3.22Å; R258-Q262 PolarHBondContact O-N 2.88Å
259	Y	95.1	Very high	93.5	Very high	135 Å²	135	74.5 Å²	74.5	53%	0.529	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-47.9	178.1	172.1	-93.3	0	0	0	111.4	S257 Y261 Q262 R263	S257-Y259 PolarHBondContact O-N 2.78Å; Y259-Y261 VanDerWaalsContact C-N 3.34Å; Y259-Q262 PolarHBondContact O-N 3.21Å; Y259-R263 HydrophobicContact CD2-CG 4.48Å; Y259-R263 HydrophobicContact CE2-CG 4.35Å; Y259-R263 WeakPolarHBondContact O-CB 3.46Å; Y259-R263 PolarHBondContact O-N 3.11Å; Y259-R263 PolarHBondContact OH-NH1 3.15Å
260	D	93.8	Very high	93.3	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-39	178	-62.3	-46	0	0	0	111	S257 Q262 R263 Q264	S257-D260 WeakPolarHBondContact CB-OD2 3.49Å; S257-D260 PolarHBondContact O-N 3.14Å; S257-D260 VanDerWaalsContact OG-CG 3.28Å; S257-D260 PolarHBondContact OG-N 2.84Å; S257-D260 PolarHBondContact OG-OD2 3.42Å; D260-Q262 VanDerWaalsContact C-N 3.27Å; D260-Q262 PolarHBondContact O-N 2.99Å; D260-R263 PolarHBondContact O-N 2.91Å; D260-Q264 WeakPolarHBondContact O-CB 3.34Å; D260-Q264 PolarHBondContact O-N 2.81Å
261	Y	94.7	Very high	93.2	Very high	28 Å²	28	75.3 Å²	75.3	11%	0.11	38%	0.38	C	S	.	.	H	α-helix	trans	-59.1	-36	177	-168.1	-106.1	0	0	0	113.4	F256 S257 R258 Y259 S271 K273 P316 F318	F256-Y261 HydrophobicContact CE2-CD2 4.22Å; F256-Y261 HydrophobicContact CE2-CG 4.11Å; F256-Y261 HydrophobicContact CZ-CG 4.4Å; S257-Y261 WeakPolarHBondContact O-CB 3.33Å; S257-Y261 PolarHBondContact O-N 3.01Å; R258-Y261 PolarHBondContact O-N 2.91Å; Y259-Y261 VanDerWaalsContact C-N 3.34Å; Y261-S271 WeakPolarHBondContact CE2-OG 3.43Å; Y261-S271 PolarHBondContact OH-OG 2.84Å; Y261-K273 VanDerWaalsContact CZ-CE 3.49Å; Y261-K273 WeakPolarHBondContact OH-CE 3.02Å; Y261-K273 WeakPolarHBondContact OH-CG 3.44Å; Y261-P316 HydrophobicContact CE1-CB 4.31Å; Y261-P316 HydrophobicContact CE1-CG 4.03Å; Y261-P316 WeakPolarHBondContact OH-CB 3.38Å; Y261-F318 HydrophobicContact CD2-CE2 4.14Å; Y261-F318 AromaticContact CD2-CZ 3.81Å; Y261-F318 HydrophobicContact CD2-CZ 3.81Å; Y261-F318 AromaticContact CE2-CE2 3.83Å; Y261-F318 HydrophobicContact CE2-CE2 3.83Å; Y261-F318 AromaticContact CE2-CZ 3.65Å; Y261-F318 HydrophobicContact CE2-CZ 3.65Å
262	Q	92.9	Very high	93.2	Very high	137 Å²	137	70.6 Å²	70.6	64%	0.64	36%	0.36	S	S	*	.	H	α-helix	trans	-87.1	-33.1	-178.8	-72.4	-179.9	-33	0	0	112.8	R258 Y259 D260	R258-Q262 HydrophobicContact CG-CG 4.29Å; R258-Q262 WeakPolarHBondContact O-CB 3.36Å; R258-Q262 WeakPolarHBondContact O-CG 3.22Å; R258-Q262 PolarHBondContact O-N 2.88Å; Y259-Q262 PolarHBondContact O-N 3.21Å; D260-Q262 VanDerWaalsContact C-N 3.27Å; D260-Q262 PolarHBondContact O-N 2.99Å
263	R	92.7	Very high	93.1	Very high	172 Å²	172	74.9 Å²	74.9	65%	0.649	38%	0.377	S	S	*	.	H	α-helix	trans	-87.8	-30	-175.8	-75.8	-170.3	63.5	156.3	1.1	114	Y259 D260	Y259-R263 HydrophobicContact CD2-CG 4.48Å; Y259-R263 HydrophobicContact CE2-CG 4.35Å; Y259-R263 WeakPolarHBondContact O-CB 3.46Å; Y259-R263 PolarHBondContact O-N 3.11Å; Y259-R263 PolarHBondContact OH-NH1 3.15Å; D260-R263 PolarHBondContact O-N 2.91Å
264	Q	89.4	Confident	93.1	Very high	97 Å²	97	70.7 Å²	70.7	45%	0.453	36%	0.364	S	S	.	.			trans	-106.8	118.4	-177.4	-61.8	178.2	0	0	0	109.1	D260 D266 S267	D260-Q264 WeakPolarHBondContact O-CB 3.34Å; D260-Q264 PolarHBondContact O-N 2.81Å; Q264-D266 PolarHBondContact O-N 2.81Å; Q264-S267 WeakPolarHBondContact O-CB 3.42Å; Q264-S267 PolarHBondContact O-N 3.42Å
265	S	82.3	Confident	93.2	Very high	109 Å²	109	69 Å²	69	76%	0.762	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.1	177.1	52.6	0	0	0	0	112.8	S267	S265-S267 VanDerWaalsContact C-N 3.3Å
266	D	85.5	Confident	93.3	Very high	96 Å²	96	68 Å²	68	51%	0.513	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.7	-173.9	-65.9	14.2	0	0	0	112.2	Q264 I269	Q264-D266 PolarHBondContact O-N 2.81Å; D266-I269 HydrophobicContact CB-CD1 4.19Å; D266-I269 WeakPolarHBondContact O-CD1 3.42Å; D266-I269 VanDerWaalsContact O-CG1 3.31Å; D266-I269 WeakPolarHBondContact O-CG1 3.34Å
267	S	89.9	Confident	93.3	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.021	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	123	176	-166.7	0	0	0	0	110.2	Q143 Q264 S265	Q143-S267 WeakPolarHBondContact CG-OG 3.47Å; Q143-S267 PolarHBondContact NE2-OG 3.04Å; Q264-S267 WeakPolarHBondContact O-CB 3.42Å; Q264-S267 PolarHBondContact O-N 3.42Å; S265-S267 VanDerWaalsContact C-N 3.3Å
268	G	89.5	Confident	93.4	Very high	4 Å²	4	65 Å²	65	4%	0.041	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	38.5	-179.9	0	0	0	0	0	114.4	Q143 S270 S271	Q143-G268 WeakPolarHBondContact O-CA 3.26Å; Q143-G268 PolarHBondContact O-N 3.11Å; G268-S270 PolarHBondContact O-N 3.2Å; G268-S271 VanDerWaalsContact O-CB 3.31Å; G268-S271 WeakPolarHBondContact O-CB 3.34Å; G268-S271 PolarHBondContact O-N 2.95Å; G268-S271 PolarHBondContact O-OG 2.73Å
269	I	93.4	Very high	93.5	Very high	55 Å²	55	58.7 Å²	58.7	28%	0.282	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.7	176.5	-60.7	166.3	0	0	0	111	R146 N216 D266 S271	R146-I269 HydrophobicContact CG-CD1 4.13Å; N216-I269 HydrophobicContact CB-CG2 3.67Å; D266-I269 HydrophobicContact CB-CD1 4.19Å; D266-I269 WeakPolarHBondContact O-CD1 3.42Å; D266-I269 VanDerWaalsContact O-CG1 3.31Å; D266-I269 WeakPolarHBondContact O-CG1 3.34Å; I269-S271 PolarHBondContact O-N 3.25Å
270	S	93.9	Very high	93.6	Very high	7 Å²	7	53.1 Å²	53.1	5%	0.049	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	11.4	178.2	67.8	0	0	0	0	113.5	H247 G268	H247-S270 PolarHBondContact NE2-O 3.38Å; G268-S270 PolarHBondContact O-N 3.2Å
271	S	95.8	Very high	93.7	Very high	14 Å²	14	52.9 Å²	52.9	10%	0.098	27%	0.271	C	S	.	.	S	Bend	trans	-92.5	152.2	177.6	73.7	0	0	0	0	111.2	Y261 G268 I269 L317	Y261-S271 WeakPolarHBondContact CE2-OG 3.43Å; Y261-S271 PolarHBondContact OH-OG 2.84Å; G268-S271 VanDerWaalsContact O-CB 3.31Å; G268-S271 WeakPolarHBondContact O-CB 3.34Å; G268-S271 PolarHBondContact O-N 2.95Å; G268-S271 PolarHBondContact O-OG 2.73Å; I269-S271 PolarHBondContact O-N 3.25Å; S271-L317 CarbonylContact C-O 3.55Å; S271-L317 WeakPolarHBondContact CA-O 3.33Å
272	V	96.5	Very high	93.7	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-101.7	118.8	177.4	-176	0	0	0	0	110.4	P218 L220 F275 P316 L317	P218-V272 HydrophobicContact CB-CG2 3.68Å; P218-V272 HydrophobicContact CG-CG2 4.37Å; L220-V272 HydrophobicContact CD1-CG1 3.95Å; L220-V272 HydrophobicContact CD1-CG2 4.39Å; L220-V272 HydrophobicContact CD2-CB 4.27Å; L220-V272 HydrophobicContact CD2-CG1 4.43Å; L220-V272 HydrophobicContact CD2-CG2 3.93Å; L220-V272 HydrophobicContact CG-CG1 4.43Å; L220-V272 HydrophobicContact CG-CG2 4Å; V272-F275 HydrophobicContact CG1-CD1 4.25Å; V272-P316 CarbonylContact O-C 3.58Å; V272-P316 VanDerWaalsContact O-CA 3.28Å; V272-P316 WeakPolarHBondContact O-CA 3.38Å; V272-L317 HydrophobicContact CB-CB 4.31Å; V272-L317 PolarHBondContact N-O 3.06Å; V272-L317 PolarHBondContact O-N 2.83Å
273	K	95.2	Very high	93.9	Very high	120 Å²	120	46.4 Å²	46.4	52%	0.522	25%	0.246	S	C	.	.			trans	-92.8	-42.2	179.3	-69	174.1	-177.6	173.4	0	112.1	Y261	Y261-K273 VanDerWaalsContact CZ-CE 3.49Å; Y261-K273 WeakPolarHBondContact OH-CE 3.02Å; Y261-K273 WeakPolarHBondContact OH-CG 3.44Å
274	S	96.7	Very high	94	Very high	41 Å²	41	43.8 Å²	43.8	29%	0.287	24%	0.241	S	C	.	.			trans	-157.8	162.4	-179	61.1	0	0	0	0	109.8	E310 V311	S274-E310 VanDerWaalsContact CB-OE1 3.3Å; S274-E310 WeakPolarHBondContact CB-OE1 3.29Å; S274-E310 PolarHBondContact OG-OE1 3.27Å; S274-V311 VanDerWaalsContact CA-O 3.22Å; S274-V311 WeakPolarHBondContact CA-O 3.37Å; S274-V311 WeakPolarHBondContact CB-O 3.42Å
275	F	96.9	Very high	94.4	Very high	19 Å²	19	44.6 Å²	44.6	8%	0.083	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	162	171	50.2	-92.2	0	0	0	108.3	L220 M245 V272 V311 P313 Y325	L220-F275 HydrophobicContact CD1-CD1 3.9Å; L220-F275 HydrophobicContact CD1-CE1 4.41Å; L220-F275 HydrophobicContact CD1-CG 4.4Å; M245-F275 HydrophobicContact CE-CE1 4.18Å; M245-F275 HydrophobicContact CE-CE2 4.02Å; M245-F275 HydrophobicContact CE-CZ 3.67Å; M245-F275 HydrophobicContact SD-CD1 4.47Å; M245-F275 HydrophobicContact SD-CE1 3.75Å; M245-F275 HydrophobicContact SD-CZ 3.85Å; V272-F275 HydrophobicContact CG1-CD1 4.25Å; F275-V311 HydrophobicContact CD2-CB 4.16Å; F275-V311 HydrophobicContact CE2-CB 3.75Å; F275-V311 HydrophobicContact CE2-CG1 3.9Å; F275-V311 HydrophobicContact CE2-CG2 4.33Å; F275-V311 HydrophobicContact CZ-CB 4.08Å; F275-V311 HydrophobicContact CZ-CG1 3.77Å; F275-V311 PolarHBondContact N-O 3.03Å; F275-V311 VanDerWaalsContact N-O 3.11Å; F275-V311 PolarHBondContact O-N 3.27Å; F275-P313 HydrophobicContact CE1-CG 4Å; F275-Y325 WeakPolarHBondContact CE2-OH 3.31Å; F275-Y325 AromaticContact CZ-CE1 3.92Å; F275-Y325 HydrophobicContact CZ-CE1 3.92Å; F275-Y325 AromaticContact CZ-CZ 3.94Å
276	K	97.3	Very high	95.1	Very high	96 Å²	96	41.3 Å²	41.3	42%	0.417	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.3	-179	-67.8	-175.7	169.9	-158.1	0	110.2	E308 V309 H353 V354 Y355	K276-E308 IonicContact NZ-OE2 3.97Å; K276-E308 PolarHBondContact NZ-OE2 2.87Å; K276-V309 WeakPolarHBondContact CA-O 3.3Å; K276-H353 PolarHBondContact O-CE1 3.09Å; K276-V354 VanDerWaalsContact O-O 3.07Å; K276-Y355 WeakPolarHBondContact O-CA 3.33Å
277	T	97.8	Very high	95.7	Very high	2 Å²	2	41 Å²	41	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.3	170.6	-60.1	0	0	0	0	108	L279 V309 I327 H353 V354	T277-L279 HydrophobicContact CG2-CD2 3.76Å; T277-L279 HydrophobicContact CG2-CG 4.34Å; T277-V309 PolarHBondContact N-O 2.81Å; T277-V309 PolarHBondContact O-N 3.33Å; T277-I327 HydrophobicContact CG2-CD1 4.34Å; T277-H353 VanDerWaalsContact CG2-O 3.27Å; T277-H353 WeakPolarHBondContact CG2-O 3.32Å; T277-V354 VanDerWaalsContact CA-O 3.3Å; T277-V354 WeakPolarHBondContact CA-O 3.43Å; T277-V354 WeakPolarHBondContact CB-O 3.44Å; T277-V354 PolarHBondContact OG1-O 3.44Å
278	I	97.9	Very high	96.1	Very high	38 Å²	38	41.1 Å²	41.1	20%	0.195	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.7	-178.9	-54.2	-62.1	0	0	0	106.9	E308 H353	I278-E308 HydrophobicContact CD1-CB 4.32Å; I278-E308 HydrophobicContact CD1-CG 3.66Å; I278-H353 HydrophobicContact CB-CB 4.21Å; I278-H353 PolarHBondContact N-ND1 2.87Å
279	L	97.5	Very high	96.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	158.4	177.3	-56.1	-178.6	0	0	0	110.3	T277 A283 V286 V307 V309 Y329	T277-L279 HydrophobicContact CG2-CD2 3.76Å; T277-L279 HydrophobicContact CG2-CG 4.34Å; L279-A283 HydrophobicContact CB-CB 3.96Å; L279-A283 HydrophobicContact CD1-CB 4.34Å; L279-V286 HydrophobicContact CD1-CG1 3.92Å; L279-V286 HydrophobicContact CD1-CG2 3.86Å; L279-V307 HydrophobicContact CB-CB 4.24Å; L279-V307 PolarHBondContact N-O 2.79Å; L279-V307 PolarHBondContact O-N 2.79Å; L279-V309 HydrophobicContact CD1-CG2 3.7Å; L279-V309 HydrophobicContact CG-CG2 4.14Å; L279-Y329 HydrophobicContact CD1-CD1 4.18Å; L279-Y329 HydrophobicContact CD1-CG 4.34Å; L279-Y329 HydrophobicContact CD2-CD1 4.05Å; L279-Y329 HydrophobicContact CD2-CE1 3.74Å
280	P	96.5	Very high	96.6	Very high	17 Å²	17	44 Å²	44	11%	0.11	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	148	172.2	-22.5	32.5	0	0	0	112.4	S282 A283 Y329 L331 Y336	P280-S282 PolarHBondContact O-N 2.77Å; P280-S282 VanDerWaalsContact O-N 3.07Å; P280-A283 WeakPolarHBondContact O-CB 3.3Å; P280-A283 PolarHBondContact O-N 3.49Å; P280-Y329 HydrophobicContact CG-CE2 4.41Å; P280-L331 HydrophobicContact CB-CD2 4.08Å; P280-L331 HydrophobicContact CG-CD2 4.3Å; P280-Y336 WeakPolarHBondContact CB-OH 3.26Å
281	A	94.9	Very high	96.6	Very high	51 Å²	51	51.4 Å²	51.4	42%	0.421	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.9	-176.8	0	0	0	0	0	114.1	A283	A281-A283 VanDerWaalsContact C-N 3.34Å
282	S	95.4	Very high	96.6	Very high	15 Å²	15	57.3 Å²	57.3	11%	0.105	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.6	-179.4	56.1	0	0	0	0	114.4	P280 Q284 P332 E335	P280-S282 PolarHBondContact O-N 2.77Å; P280-S282 VanDerWaalsContact O-N 3.07Å; S282-Q284 PolarHBondContact O-N 3.39Å; S282-P332 WeakPolarHBondContact O-CD 2.95Å; S282-E335 WeakPolarHBondContact CB-OE1 3.26Å; S282-E335 WeakPolarHBondContact CB-OE2 3.4Å; S282-E335 PolarHBondContact OG-OE2 2.8Å
283	A	97	Very high	96.6	Very high	14 Å²	14	58.6 Å²	58.6	12%	0.116	30%	0.301	C	S	.	.			trans	-62.2	125.3	177	0	0	0	0	0	111.7	L279 P280 A281 V286 V307 Y329 N330 L331	L279-A283 HydrophobicContact CB-CB 3.96Å; L279-A283 HydrophobicContact CD1-CB 4.34Å; P280-A283 WeakPolarHBondContact O-CB 3.3Å; P280-A283 PolarHBondContact O-N 3.49Å; A281-A283 VanDerWaalsContact C-N 3.34Å; A283-V286 HydrophobicContact CB-CG2 4.41Å; A283-V307 HydrophobicContact CB-CG2 4.42Å; A283-Y329 HydrophobicContact CB-CD2 3.92Å; A283-Y329 HydrophobicContact CB-CG 4.38Å; A283-N330 WeakPolarHBondContact CA-O 3.45Å; A283-L331 HydrophobicContact CB-CD2 4.27Å
284	Q	95.8	Very high	96.7	Very high	117 Å²	117	58.2 Å²	58.2	55%	0.547	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.5	177.8	-66	179	8.6	0	0	110.3	S282 V286 N330	S282-Q284 PolarHBondContact O-N 3.39Å; Q284-V286 PolarHBondContact O-N 3.49Å; Q284-V286 VanDerWaalsContact O-N 3.13Å; Q284-N330 PolarHBondContact N-O 2.67Å; Q284-N330 PolarHBondContact O-N 2.81Å
285	D	96.7	Very high	96.7	Very high	113 Å²	113	56.5 Å²	56.5	60%	0.604	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.4	40	175.9	-53.1	-37.8	0	0	0	114.3	Y287 N330	D285-Y287 WeakPolarHBondContact O-CD1 3.27Å; D285-Y287 PolarHBondContact O-N 2.83Å; D285-N330 HydrophobicContact CB-CB 4.48Å; D285-N330 PolarHBondContact OD2-ND2 3.01Å
286	V	97.9	Very high	96.7	Very high	41 Å²	41	60.5 Å²	60.5	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	124.8	-179	-173.7	0	0	0	0	110	L279 A283 Q284 L300 V309 I327 G328	L279-V286 HydrophobicContact CD1-CG1 3.92Å; L279-V286 HydrophobicContact CD1-CG2 3.86Å; A283-V286 HydrophobicContact CB-CG2 4.41Å; Q284-V286 PolarHBondContact O-N 3.49Å; Q284-V286 VanDerWaalsContact O-N 3.13Å; V286-L300 HydrophobicContact CB-CD1 3.76Å; V286-L300 HydrophobicContact CG1-CD1 4.25Å; V286-L300 HydrophobicContact CG2-CD1 3.68Å; V286-V309 HydrophobicContact CG1-CG2 4.36Å; V286-I327 HydrophobicContact CG1-CG1 4.45Å; V286-G328 CarbonylContact C-O 3.46Å; V286-G328 VanDerWaalsContact CA-O 3.31Å; V286-G328 WeakPolarHBondContact CA-O 3.41Å
287	Y	97.9	Very high	96.6	Very high	88 Å²	88	58.9 Å²	58.9	35%	0.345	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.2	172.1	60.7	-91.9	0	0	0	111.5	E240 D285 R289 I326 I327 G328	E240-Y287 HydrophobicContact CG-CE2 4.46Å; E240-Y287 WeakPolarHBondContact CG-OH 3.17Å; E240-Y287 PolarHBondContact OE2-OH 2.57Å; D285-Y287 WeakPolarHBondContact O-CD1 3.27Å; D285-Y287 PolarHBondContact O-N 2.83Å; Y287-R289 HydrophobicContact CD2-CG 4.33Å; Y287-I326 HydrophobicContact CE2-CG2 4.3Å; Y287-I327 WeakPolarHBondContact O-CA 3.43Å; Y287-G328 WeakPolarHBondContact CD1-O 3.41Å; Y287-G328 PolarHBondContact N-O 2.9Å; Y287-G328 PolarHBondContact O-N 3.3Å
288	Y	98.1	Very high	96.5	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.027	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	113.2	179.3	173.1	-128.1	0	0	0	109.5	N294 I295 V311 Y325	Y288-N294 PolarHBondContact O-OD1 2.81Å; Y288-I295 HydrophobicContact CD1-CB 3.68Å; Y288-I295 HydrophobicContact CD1-CG2 3.87Å; Y288-I295 HydrophobicContact CE1-CB 3.5Å; Y288-I295 VanDerWaalsContact CE1-CB 3.5Å; Y288-I295 HydrophobicContact CE1-CD1 3.91Å; Y288-I295 HydrophobicContact CE1-CG1 4.31Å; Y288-I295 HydrophobicContact CE1-CG2 3.31Å; Y288-I295 HydrophobicContact CE2-CD1 4.16Å; Y288-I295 HydrophobicContact CG-CB 4.48Å; Y288-I295 PolarHBondContact O-N 2.93Å; Y288-I295 VanDerWaalsContact O-N 3.13Å; Y288-V311 HydrophobicContact CD2-CG1 4.35Å; Y288-V311 HydrophobicContact CE1-CG1 3.86Å; Y288-V311 HydrophobicContact CE2-CG1 3.64Å; Y288-V311 WeakPolarHBondContact OH-CG1 3.4Å; Y288-Y325 AromaticContact CD2-CD2 3.98Å; Y288-Y325 HydrophobicContact CD2-CD2 3.98Å; Y288-Y325 HydrophobicContact CD2-CG 4.5Å; Y288-Y325 HydrophobicContact CE2-CD1 4.5Å; Y288-Y325 AromaticContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CD2 3.47Å; Y288-Y325 VanDerWaalsContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CE2 4.21Å; Y288-Y325 AromaticContact CE2-CG 3.63Å; Y288-Y325 HydrophobicContact CE2-CG 3.63Å
289	R	97.8	Very high	96.5	Very high	100 Å²	100	65 Å²	65	38%	0.377	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	168.6	-173	69.2	-176.7	-172.9	120.7	-3.1	111.5	E240 Y287 G293 Y325 I326	E240-R289 IonicContact OE2-CZ 3.33Å; E240-R289 IonicContact OE2-NE 3.69Å; E240-R289 IonicContact OE2-NH2 3.41Å; E240-R289 PolarHBondContact OE2-NH2 2.76Å; E240-R289 VanDerWaalsContact OE2-NH2 3.14Å; Y287-R289 HydrophobicContact CD2-CG 4.33Å; R289-G293 WeakPolarHBondContact CA-O 3.35Å; R289-G293 WeakPolarHBondContact CB-O 2.9Å; R289-Y325 WeakPolarHBondContact O-CA 3.5Å; R289-I326 HydrophobicContact CG-CB 3.9Å; R289-I326 HydrophobicContact CG-CG2 4.43Å; R289-I326 PolarHBondContact N-O 3.49Å; R289-I326 PolarHBondContact O-N 2.91Å
290	D	95.8	Very high	96.4	Very high	20 Å²	20	68.5 Å²	68.5	11%	0.107	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-172.9	164.9	63.7	4.9	0	0	0	110.8	I292 G293 I295 R314	D290-I292 PolarHBondContact O-N 2.87Å; D290-I292 WeakPolarHBondContact OD1-CG1 3.42Å; D290-I292 PolarHBondContact OD1-N 3.08Å; D290-G293 PolarHBondContact N-O 2.92Å; D290-G293 PolarHBondContact O-N 3.21Å; D290-G293 PolarHBondContact OD1-N 2.82Å; D290-I295 HydrophobicContact CB-CD1 3.91Å; D290-I295 HydrophobicContact CB-CG1 4.49Å; D290-R314 IonicContact OD1-CZ 2.94Å; D290-R314 IonicContact OD1-NE 3.63Å; D290-R314 IonicContact OD1-NH2 3.88Å; D290-R314 PolarHBondContact OD1-NH2 3.47Å; D290-R314 WeakPolarHBondContact OD2-CD 3.49Å; D290-R314 IonicContact OD2-CZ 3.73Å; D290-R314 IonicContact OD2-NE 2.69Å; D290-R314 PolarHBondContact OD2-NE 3.45Å; D290-R314 IonicContact OD2-NH2 3.09Å; D290-R314 PolarHBondContact OD2-NH2 2.81Å
291	E	94.1	Very high	96.5	Very high	161 Å²	161	72.3 Å²	72.3	75%	0.752	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.7	-179.9	-63.2	-172.1	157.3	0	0	113.2
292	I	95.6	Very high	96.5	Very high	138 Å²	138	76 Å²	76	71%	0.708	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-2.5	-176.6	65.5	167.9	0	0	0	113.4	D290	D290-I292 PolarHBondContact O-N 2.87Å; D290-I292 WeakPolarHBondContact OD1-CG1 3.42Å; D290-I292 PolarHBondContact OD1-N 3.08Å
293	G	96.1	Very high	96.6	Very high	31 Å²	31	78.3 Å²	78.3	32%	0.32	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134	-157.9	169.9	0	0	0	0	0	113.9	R289 D290	R289-G293 WeakPolarHBondContact CA-O 3.35Å; R289-G293 WeakPolarHBondContact CB-O 2.9Å; D290-G293 PolarHBondContact N-O 2.92Å; D290-G293 PolarHBondContact O-N 3.21Å; D290-G293 PolarHBondContact OD1-N 2.82Å
294	N	97.1	Very high	96.3	Very high	112 Å²	112	87 Å²	87	60%	0.599	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	145.2	-176	-168.8	61.2	0	0	0	112.1	Y288 R314	Y288-N294 PolarHBondContact O-OD1 2.81Å; N294-R314 PolarHBondContact O-NH2 2.94Å
295	I	97.3	Very high	96.2	Very high	4 Å²	4	90 Å²	90	2%	0.021	46%	0.463	C	S	.	.			trans	-112	109.6	168.7	-59.5	172	0	0	0	108	Y288 D290 T297 R314	Y288-I295 HydrophobicContact CD1-CB 3.68Å; Y288-I295 HydrophobicContact CD1-CG2 3.87Å; Y288-I295 HydrophobicContact CE1-CB 3.5Å; Y288-I295 VanDerWaalsContact CE1-CB 3.5Å; Y288-I295 HydrophobicContact CE1-CD1 3.91Å; Y288-I295 HydrophobicContact CE1-CG1 4.31Å; Y288-I295 HydrophobicContact CE1-CG2 3.31Å; Y288-I295 HydrophobicContact CE2-CD1 4.16Å; Y288-I295 HydrophobicContact CG-CB 4.48Å; Y288-I295 PolarHBondContact O-N 2.93Å; Y288-I295 VanDerWaalsContact O-N 3.13Å; D290-I295 HydrophobicContact CB-CD1 3.91Å; D290-I295 HydrophobicContact CB-CG1 4.49Å; I295-T297 VanDerWaalsContact C-N 3.26Å; I295-T297 WeakPolarHBondContact CG2-OG1 3.46Å; I295-T297 PolarHBondContact O-N 3.1Å; I295-R314 HydrophobicContact CD1-CG 4.2Å; I295-R314 HydrophobicContact CG1-CG 4.22Å
296	S	95.5	Very high	96.2	Very high	103 Å²	103	85.6 Å²	85.6	72%	0.72	44%	0.441	S	S	*	.			trans	-81.2	-1.8	-177.7	61.6	0	0	0	0	114.2	S298	S296-S298 VanDerWaalsContact C-N 3.31Å; S296-S298 PolarHBondContact O-N 2.96Å
297	T	95.7	Very high	96.2	Very high	63 Å²	63	83.8 Å²	83.8	39%	0.387	43%	0.43	S	S	.	.			trans	-91.7	62.7	-178.9	50.8	0	0	0	0	111	I295 R312	I295-T297 VanDerWaalsContact C-N 3.26Å; I295-T297 WeakPolarHBondContact CG2-OG1 3.46Å; I295-T297 PolarHBondContact O-N 3.1Å; T297-R312 WeakPolarHBondContact O-CA 3.23Å; T297-R312 WeakPolarHBondContact O-CB 3.45Å; T297-R312 WeakPolarHBondContact O-CG 3.29Å; T297-R312 PolarHBondContact O-N 2.79Å; T297-R312 VanDerWaalsContact O-N 3.09Å; T297-R312 PolarHBondContact OG1-O 2.65Å
298	S	96	Very high	96.2	Very high	54 Å²	54	81.5 Å²	81.5	38%	0.378	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.8	171.9	56.3	0	0	0	0	110.7	S296 E310	S296-S298 VanDerWaalsContact C-N 3.31Å; S296-S298 PolarHBondContact O-N 2.96Å; S298-E310 CarbonylContact C-O 3.51Å; S298-E310 VanDerWaalsContact CA-O 3.23Å; S298-E310 WeakPolarHBondContact CA-O 3.32Å
299	H	97.4	Very high	96.1	Very high	115 Å²	115	81.3 Å²	81.3	53%	0.532	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	117.2	173.4	-171.8	65.8	0	0	0	109.5	V309 E310	H299-V309 CarbonylContact O-C 3.5Å; H299-V309 WeakPolarHBondContact O-CA 3.49Å; H299-E310 HydrophobicContact CB-CB 4.17Å; H299-E310 PolarHBondContact N-O 2.87Å; H299-E310 PolarHBondContact O-N 2.76Å
300	L	96.7	Very high	96.2	Very high	75 Å²	75	78.5 Å²	78.5	39%	0.393	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.5	179	-176.4	155	0	0	0	109.4	V286 I302 V307 E308 V309	V286-L300 HydrophobicContact CB-CD1 3.76Å; V286-L300 HydrophobicContact CG1-CD1 4.25Å; V286-L300 HydrophobicContact CG2-CD1 3.68Å; L300-I302 HydrophobicContact CD2-CD1 4.31Å; L300-I302 HydrophobicContact CD2-CG1 3.59Å; L300-V307 HydrophobicContact CD1-CG1 3.85Å; L300-V307 HydrophobicContact CD2-CG1 3.76Å; L300-V307 HydrophobicContact CG-CG1 3.63Å; L300-E308 CarbonylContact C-O 3.5Å; L300-E308 WeakPolarHBondContact CA-O 3.39Å; L300-V309 HydrophobicContact CD1-CG2 4.21Å; L300-V309 HydrophobicContact CG-CG2 4.25Å
301	Q	97.2	Very high	96.2	Very high	96 Å²	96	77.5 Å²	77.5	45%	0.449	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.6	175.6	-177.8	174.7	-6.5	0	0	109.4	L303 E308	Q301-L303 HydrophobicContact CG-CD2 4Å; Q301-E308 HydrophobicContact CB-CB 4.46Å; Q301-E308 PolarHBondContact N-O 2.68Å; Q301-E308 PolarHBondContact O-N 2.93Å
302	I	96.4	Very high	96.4	Very high	130 Å²	130	75.7 Å²	75.7	67%	0.667	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.6	176.1	-55.2	174.2	0	0	0	107.9	L300 V307	L300-I302 HydrophobicContact CD2-CD1 4.31Å; L300-I302 HydrophobicContact CD2-CG1 3.59Å; I302-V307 HydrophobicContact CG2-CG2 4.44Å
303	L	95.8	Very high	96.4	Very high	63 Å²	63	69.6 Å²	69.6	33%	0.33	36%	0.363	S	S	.	.			trans	-107.7	175.6	173.3	-57.2	-179.7	0	0	0	110	Q301 S306 E308	Q301-L303 HydrophobicContact CG-CD2 4Å; L303-S306 CarbonylContact C-O 3.48Å; L303-S306 WeakPolarHBondContact CA-O 3.5Å; L303-S306 VanDerWaalsContact CB-O 3.31Å; L303-S306 WeakPolarHBondContact CB-O 3.42Å; L303-S306 PolarHBondContact N-O 2.89Å; L303-E308 HydrophobicContact CD1-CG 3.6Å; L303-E308 WeakPolarHBondContact CD1-OE1 3.46Å; L303-E308 HydrophobicContact CG-CG 4.27Å
304	E	92.6	Very high	96.4	Very high	196 Å²	196	73.2 Å²	73.2	92%	0.916	37%	0.368	S	S	*	.	S	Bend	trans	-66.9	-38.9	179.6	-66	-176.2	174	0	0	112.4
305	E	92.9	Very high	96.4	Very high	179 Å²	179	71.8 Å²	71.8	84%	0.836	36%	0.356	S	S	*	.	S	Bend	trans	-109.7	-5.5	-174	-61.5	-172.4	161.3	0	0	114
306	S	96.1	Very high	96.3	Very high	22 Å²	22	72.2 Å²	72.2	15%	0.154	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	170.5	-177.6	60.7	0	0	0	0	112.5	L303	L303-S306 CarbonylContact C-O 3.48Å; L303-S306 WeakPolarHBondContact CA-O 3.5Å; L303-S306 VanDerWaalsContact CB-O 3.31Å; L303-S306 WeakPolarHBondContact CB-O 3.42Å; L303-S306 PolarHBondContact N-O 2.89Å
307	V	97.5	Very high	96.4	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113	167.4	178.2	0	0	0	0	108.2	L279 A283 L300 I302 V309	L279-V307 HydrophobicContact CB-CB 4.24Å; L279-V307 PolarHBondContact N-O 2.79Å; L279-V307 PolarHBondContact O-N 2.79Å; A283-V307 HydrophobicContact CB-CG2 4.42Å; L300-V307 HydrophobicContact CD1-CG1 3.85Å; L300-V307 HydrophobicContact CD2-CG1 3.76Å; L300-V307 HydrophobicContact CG-CG1 3.63Å; I302-V307 HydrophobicContact CG2-CG2 4.44Å; V307-V309 HydrophobicContact CG1-CG2 4.38Å
308	E	97.7	Very high	96.5	Very high	40 Å²	40	64.6 Å²	64.6	19%	0.187	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.4	174.3	-60.1	-163.3	174.6	0	0	110.2	K276 I278 L300 Q301 L303	K276-E308 IonicContact NZ-OE2 3.97Å; K276-E308 PolarHBondContact NZ-OE2 2.87Å; I278-E308 HydrophobicContact CD1-CB 4.32Å; I278-E308 HydrophobicContact CD1-CG 3.66Å; L300-E308 CarbonylContact C-O 3.5Å; L300-E308 WeakPolarHBondContact CA-O 3.39Å; Q301-E308 HydrophobicContact CB-CB 4.46Å; Q301-E308 PolarHBondContact N-O 2.68Å; Q301-E308 PolarHBondContact O-N 2.93Å; L303-E308 HydrophobicContact CD1-CG 3.6Å; L303-E308 WeakPolarHBondContact CD1-OE1 3.46Å; L303-E308 HydrophobicContact CG-CG 4.27Å
309	V	97.8	Very high	96.5	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	106.9	173.3	-173.5	0	0	0	0	108.5	K276 T277 L279 V286 H299 L300 V307 V311	K276-V309 WeakPolarHBondContact CA-O 3.3Å; T277-V309 PolarHBondContact N-O 2.81Å; T277-V309 PolarHBondContact O-N 3.33Å; L279-V309 HydrophobicContact CD1-CG2 3.7Å; L279-V309 HydrophobicContact CG-CG2 4.14Å; V286-V309 HydrophobicContact CG1-CG2 4.36Å; H299-V309 CarbonylContact O-C 3.5Å; H299-V309 WeakPolarHBondContact O-CA 3.49Å; L300-V309 HydrophobicContact CD1-CG2 4.21Å; L300-V309 HydrophobicContact CG-CG2 4.25Å; V307-V309 HydrophobicContact CG1-CG2 4.38Å; V309-V311 HydrophobicContact CG1-CG2 3.97Å; V309-V311 PolarHBondContact O-N 2.87Å
310	E	98.1	Very high	96.4	Very high	41 Å²	41	58 Å²	58	19%	0.192	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	112.4	167.1	-168.6	-168.4	165.3	0	0	108.6	S274 S298 H299 R312	S274-E310 VanDerWaalsContact CB-OE1 3.3Å; S274-E310 WeakPolarHBondContact CB-OE1 3.29Å; S274-E310 PolarHBondContact OG-OE1 3.27Å; S298-E310 CarbonylContact C-O 3.51Å; S298-E310 VanDerWaalsContact CA-O 3.23Å; S298-E310 WeakPolarHBondContact CA-O 3.32Å; H299-E310 HydrophobicContact CB-CB 4.17Å; H299-E310 PolarHBondContact N-O 2.87Å; H299-E310 PolarHBondContact O-N 2.76Å; E310-R312 IonicContact OE1-CZ 3.89Å; E310-R312 VanDerWaalsContact OE1-CZ 3.27Å; E310-R312 IonicContact OE1-NE 3.82Å; E310-R312 PolarHBondContact OE1-NE 3.28Å; E310-R312 IonicContact OE1-NH2 2.87Å; E310-R312 PolarHBondContact OE1-NH2 2.82Å; E310-R312 IonicContact OE2-NH2 3.84Å
311	V	97	Very high	96.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.7	179.9	179	0	0	0	0	109	S274 F275 Y288 V309	S274-V311 VanDerWaalsContact CA-O 3.22Å; S274-V311 WeakPolarHBondContact CA-O 3.37Å; S274-V311 WeakPolarHBondContact CB-O 3.42Å; F275-V311 HydrophobicContact CD2-CB 4.16Å; F275-V311 HydrophobicContact CE2-CB 3.75Å; F275-V311 HydrophobicContact CE2-CG1 3.9Å; F275-V311 HydrophobicContact CE2-CG2 4.33Å; F275-V311 HydrophobicContact CZ-CB 4.08Å; F275-V311 HydrophobicContact CZ-CG1 3.77Å; F275-V311 PolarHBondContact N-O 3.03Å; F275-V311 VanDerWaalsContact N-O 3.11Å; F275-V311 PolarHBondContact O-N 3.27Å; Y288-V311 HydrophobicContact CD2-CG1 4.35Å; Y288-V311 HydrophobicContact CE1-CG1 3.86Å; Y288-V311 HydrophobicContact CE2-CG1 3.64Å; Y288-V311 WeakPolarHBondContact OH-CG1 3.4Å; V309-V311 HydrophobicContact CG1-CG2 3.97Å; V309-V311 PolarHBondContact O-N 2.87Å
312	R	97.6	Very high	96.5	Very high	123 Å²	123	60.2 Å²	60.2	46%	0.464	28%	0.283	S	S	.	.			trans	-116.4	114	170.4	-42.9	-159.2	164.4	161	-2.2	110	T297 E310	T297-R312 WeakPolarHBondContact O-CA 3.23Å; T297-R312 WeakPolarHBondContact O-CB 3.45Å; T297-R312 WeakPolarHBondContact O-CG 3.29Å; T297-R312 PolarHBondContact O-N 2.79Å; T297-R312 VanDerWaalsContact O-N 3.09Å; T297-R312 PolarHBondContact OG1-O 2.65Å; E310-R312 IonicContact OE1-CZ 3.89Å; E310-R312 VanDerWaalsContact OE1-CZ 3.27Å; E310-R312 IonicContact OE1-NE 3.82Å; E310-R312 PolarHBondContact OE1-NE 3.28Å; E310-R312 IonicContact OE1-NH2 2.87Å; E310-R312 PolarHBondContact OE1-NH2 2.82Å; E310-R312 IonicContact OE2-NH2 3.84Å
313	P	96.8	Very high	96.6	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.058	26%	0.255	C	S	.	.			trans	-58.7	161.3	171.9	-21.3	32.3	0	0	0	111.8	F275 F315 L317 T323	F275-P313 HydrophobicContact CE1-CG 4Å; P313-F315 PolarHBondContact O-N 2.99Å; P313-L317 HydrophobicContact CG-CD1 4.42Å; P313-T323 HydrophobicContact CG-CG2 4.42Å
314	R	95.8	Very high	96.7	Very high	108 Å²	108	54.1 Å²	54.1	41%	0.408	25%	0.251	S	S	.	.	S	Bend	trans	-57.6	-25.3	-179.6	-68.3	-165.4	-176.6	-81.4	-5.5	113.8	D290 N294 I295	D290-R314 IonicContact OD1-CZ 2.94Å; D290-R314 IonicContact OD1-NE 3.63Å; D290-R314 IonicContact OD1-NH2 3.88Å; D290-R314 PolarHBondContact OD1-NH2 3.47Å; D290-R314 WeakPolarHBondContact OD2-CD 3.49Å; D290-R314 IonicContact OD2-CZ 3.73Å; D290-R314 IonicContact OD2-NE 2.69Å; D290-R314 PolarHBondContact OD2-NE 3.45Å; D290-R314 IonicContact OD2-NH2 3.09Å; D290-R314 PolarHBondContact OD2-NH2 2.81Å; N294-R314 PolarHBondContact O-NH2 2.94Å; I295-R314 HydrophobicContact CD1-CG 4.2Å; I295-R314 HydrophobicContact CG1-CG 4.22Å
315	F	95.8	Very high	97	Very high	81 Å²	81	44.8 Å²	44.8	36%	0.355	21%	0.207	S	C	.	.	S	Bend	trans	-142.1	149	177.7	49.7	-95.6	0	0	0	109.7	P313 L317 W321 K322	P313-F315 PolarHBondContact O-N 2.99Å; F315-L317 HydrophobicContact CD2-CD2 4.02Å; F315-L317 HydrophobicContact CE2-CD2 3.65Å; F315-W321 HydrophobicContact CB-CZ3 4.5Å; F315-W321 AromaticContact CD2-CE3 3.57Å; F315-W321 HydrophobicContact CD2-CE3 3.57Å; F315-W321 AromaticContact CD2-CZ3 3.88Å; F315-W321 HydrophobicContact CD2-CZ3 3.88Å; F315-W321 AromaticContact CE2-CE3 3.95Å; F315-W321 HydrophobicContact CE2-CE3 3.95Å; F315-K322 WeakPolarHBondContact CZ-O 3.28Å
316	P	96.2	Very high	97.2	Very high	14 Å²	14	37 Å²	37	9%	0.091	17%	0.171	C	C	.	.			trans	-62.4	143	174.9	28.1	-35	0	0	0	109.9	F256 Y261 V272 F318 W321	F256-P316 HydrophobicContact CZ-CG 4.49Å; Y261-P316 HydrophobicContact CE1-CB 4.31Å; Y261-P316 HydrophobicContact CE1-CG 4.03Å; Y261-P316 WeakPolarHBondContact OH-CB 3.38Å; V272-P316 CarbonylContact O-C 3.58Å; V272-P316 VanDerWaalsContact O-CA 3.28Å; V272-P316 WeakPolarHBondContact O-CA 3.38Å; P316-F318 HydrophobicContact CG-CE2 4.38Å; P316-W321 WeakPolarHBondContact O-CZ3 3.24Å
317	L	97.6	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-91.2	114.9	-179.5	-55.9	176.2	0	0	0	109.7	L220 H247 S271 V272 P313 F315 W321 T323	L220-L317 HydrophobicContact CD2-CD1 3.84Å; H247-L317 HydrophobicContact CB-CB 4.19Å; H247-L317 PolarHBondContact CD2-O 2.9Å; H247-L317 VanDerWaalsContact CD2-O 3.29Å; S271-L317 CarbonylContact C-O 3.55Å; S271-L317 WeakPolarHBondContact CA-O 3.33Å; V272-L317 HydrophobicContact CB-CB 4.31Å; V272-L317 PolarHBondContact N-O 3.06Å; V272-L317 PolarHBondContact O-N 2.83Å; P313-L317 HydrophobicContact CG-CD1 4.42Å; F315-L317 HydrophobicContact CD2-CD2 4.02Å; F315-L317 HydrophobicContact CE2-CD2 3.65Å; L317-W321 HydrophobicContact CD2-CB 4.32Å; L317-T323 HydrophobicContact CD1-CG2 3.83Å; L317-T323 HydrophobicContact CD2-CG2 4.24Å
318	F	97.5	Very high	97.4	Very high	5 Å²	5	36 Å²	36	2%	0.022	16%	0.163	C	C	.	.			trans	-94.6	163	164.1	-79.5	-97.6	0	0	0	110.2	Q143 H247 L252 F256 Y261 P316 G320 W321	Q143-F318 HydrophobicContact CB-CE1 4.47Å; Q143-F318 HydrophobicContact CG-CE1 3.81Å; Q143-F318 HydrophobicContact CG-CZ 3.77Å; H247-F318 WeakPolarHBondContact CB-O 3.34Å; L252-F318 HydrophobicContact CB-CB 4.03Å; L252-F318 HydrophobicContact CD1-CD1 3.9Å; L252-F318 HydrophobicContact CD1-CE1 4.32Å; L252-F318 HydrophobicContact CD2-CB 4.2Å; L252-F318 HydrophobicContact CD2-CD1 4.39Å; L252-F318 HydrophobicContact CD2-CG 4.19Å; F256-F318 HydrophobicContact CD2-CD2 4.37Å; F256-F318 AromaticContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CZ 4.3Å; F256-F318 HydrophobicContact CE2-CD2 4.46Å; F256-F318 AromaticContact CE2-CE2 3.66Å; F256-F318 HydrophobicContact CE2-CE2 3.66Å; F256-F318 HydrophobicContact CE2-CZ 4.21Å; Y261-F318 HydrophobicContact CD2-CE2 4.14Å; Y261-F318 AromaticContact CD2-CZ 3.81Å; Y261-F318 HydrophobicContact CD2-CZ 3.81Å; Y261-F318 AromaticContact CE2-CE2 3.83Å; Y261-F318 HydrophobicContact CE2-CE2 3.83Å; Y261-F318 AromaticContact CE2-CZ 3.65Å; Y261-F318 HydrophobicContact CE2-CZ 3.65Å; P316-F318 HydrophobicContact CG-CE2 4.38Å; F318-G320 PolarHBondContact O-N 3.28Å; F318-W321 HydrophobicContact CB-CD2 4.19Å; F318-W321 HydrophobicContact CB-CG 4.43Å; F318-W321 HydrophobicContact CD2-CH2 4.31Å; F318-W321 HydrophobicContact CD2-CZ3 4.31Å; F318-W321 VanDerWaalsContact O-CB 3.22Å; F318-W321 WeakPolarHBondContact O-CB 3.49Å; F318-W321 PolarHBondContact O-N 2.86Å
319	G	96.8	Very high	97.4	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-52	129.7	-179.3	0	0	0	0	0	113.5	H247 A250 F251 L252 W321	H247-G319 WeakPolarHBondContact ND1-CA 3.31Å; A250-G319 WeakPolarHBondContact O-CA 3.28Å; F251-G319 WeakPolarHBondContact CA-O 3.32Å; L252-G319 PolarHBondContact N-O 2.88Å; L252-G319 VanDerWaalsContact N-O 3.17Å; G319-W321 VanDerWaalsContact C-N 3.33Å
320	G	95.6	Very high	97.4	Very high	28 Å²	28	35.7 Å²	35.7	29%	0.289	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-14.8	-175.1	0	0	0	0	0	115.2	H247 F251 F318	H247-G320 PolarHBondContact O-N 3.05Å; F251-G320 VanDerWaalsContact CD1-CA 3.49Å; F318-G320 PolarHBondContact O-N 3.28Å
321	W	98.1	Very high	97.4	Very high	72 Å²	72	33.9 Å²	33.9	27%	0.273	16%	0.155	S	C	.	.			trans	-76	151.4	177.6	-65.5	14.5	0	0	0	110.6	R246 H247 L252 F256 F315 P316 L317 F318 G319	R246-W321 WeakPolarHBondContact CA-O 3.39Å; H247-W321 PolarHBondContact N-O 2.83Å; L252-W321 HydrophobicContact CD2-CZ2 3.91Å; F256-W321 HydrophobicContact CB-CH2 4.23Å; F256-W321 HydrophobicContact CB-CZ2 4.23Å; F256-W321 HydrophobicContact CD1-CH2 4.22Å; F256-W321 HydrophobicContact CD2-CH2 4.31Å; F256-W321 AromaticContact CG-CH2 3.99Å; F256-W321 HydrophobicContact CG-CH2 3.99Å; F256-W321 HydrophobicContact CG-CZ2 4.46Å; F315-W321 HydrophobicContact CB-CZ3 4.5Å; F315-W321 AromaticContact CD2-CE3 3.57Å; F315-W321 HydrophobicContact CD2-CE3 3.57Å; F315-W321 AromaticContact CD2-CZ3 3.88Å; F315-W321 HydrophobicContact CD2-CZ3 3.88Å; F315-W321 AromaticContact CE2-CE3 3.95Å; F315-W321 HydrophobicContact CE2-CE3 3.95Å; P316-W321 WeakPolarHBondContact O-CZ3 3.24Å; L317-W321 HydrophobicContact CD2-CB 4.32Å; F318-W321 HydrophobicContact CB-CD2 4.19Å; F318-W321 HydrophobicContact CB-CG 4.43Å; F318-W321 HydrophobicContact CD2-CH2 4.31Å; F318-W321 HydrophobicContact CD2-CZ3 4.31Å; F318-W321 VanDerWaalsContact O-CB 3.22Å; F318-W321 WeakPolarHBondContact O-CB 3.49Å; F318-W321 PolarHBondContact O-N 2.86Å; G319-W321 VanDerWaalsContact C-N 3.33Å
322	K	97.9	Very high	97.4	Very high	145 Å²	145	34.8 Å²	34.8	63%	0.63	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	148	-177.4	-52.5	-174.9	-177.6	179.1	0	109.6	M245 R246 F315	M245-K322 CarbonylContact O-C 3.49Å; M245-K322 VanDerWaalsContact O-CA 3.24Å; M245-K322 WeakPolarHBondContact O-CA 3.41Å; R246-K322 HydrophobicContact CB-CG 3.89Å; F315-K322 WeakPolarHBondContact CZ-O 3.28Å
323	T	97.7	Very high	97.3	Very high	15 Å²	15	29.9 Å²	29.9	9%	0.092	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.8	170	-170.6	0	0	0	0	108.9	M245 P313 L317 Y325	M245-T323 HydrophobicContact CB-CG2 3.89Å; M245-T323 PolarHBondContact N-O 2.86Å; M245-T323 PolarHBondContact O-N 2.81Å; M245-T323 VanDerWaalsContact O-O 3.12Å; P313-T323 HydrophobicContact CG-CG2 4.42Å; L317-T323 HydrophobicContact CD1-CG2 3.83Å; L317-T323 HydrophobicContact CD2-CG2 4.24Å; T323-Y325 HydrophobicContact CG2-CD1 4.26Å; T323-Y325 HydrophobicContact CG2-CE1 4.5Å
324	H	98	Very high	97.2	Very high	51 Å²	51	37.5 Å²	37.5	24%	0.236	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.9	173.6	175.3	101.5	0	0	0	107	T242 I243 D244	T242-H324 WeakPolarHBondContact CG2-CE1 3.36Å; I243-H324 WeakPolarHBondContact O-CA 3.27Å; D244-H324 IonicContact OD1-CE1 2.86Å; D244-H324 IonicContact OD1-CG 2.79Å; D244-H324 IonicContact OD1-ND1 2.68Å; D244-H324 PolarHBondContact OD1-ND1 3.35Å
325	Y	98.3	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.6	176.2	67	-92.2	0	0	0	111.7	I243 M245 F275 Y288 R289 T323 I327 V354	I243-Y325 HydrophobicContact CB-CD1 4.49Å; I243-Y325 HydrophobicContact CB-CD2 4.45Å; I243-Y325 HydrophobicContact CB-CE1 4.08Å; I243-Y325 HydrophobicContact CB-CE2 4.07Å; I243-Y325 HydrophobicContact CD1-CD2 4.49Å; I243-Y325 HydrophobicContact CD1-CE2 3.58Å; I243-Y325 HydrophobicContact CG1-CE2 4.35Å; I243-Y325 HydrophobicContact CG2-CE1 3.83Å; I243-Y325 HydrophobicContact CG2-CE2 4.49Å; I243-Y325 PolarHBondContact N-O 2.95Å; I243-Y325 PolarHBondContact O-N 2.94Å; M245-Y325 HydrophobicContact CE-CE1 3.86Å; M245-Y325 VanDerWaalsContact CE-OH 3.3Å; M245-Y325 WeakPolarHBondContact CE-OH 3.48Å; F275-Y325 WeakPolarHBondContact CE2-OH 3.31Å; F275-Y325 AromaticContact CZ-CE1 3.92Å; F275-Y325 HydrophobicContact CZ-CE1 3.92Å; F275-Y325 AromaticContact CZ-CZ 3.94Å; Y288-Y325 AromaticContact CD2-CD2 3.98Å; Y288-Y325 HydrophobicContact CD2-CD2 3.98Å; Y288-Y325 HydrophobicContact CD2-CG 4.5Å; Y288-Y325 HydrophobicContact CE2-CD1 4.5Å; Y288-Y325 AromaticContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CD2 3.47Å; Y288-Y325 VanDerWaalsContact CE2-CD2 3.47Å; Y288-Y325 HydrophobicContact CE2-CE2 4.21Å; Y288-Y325 AromaticContact CE2-CG 3.63Å; Y288-Y325 HydrophobicContact CE2-CG 3.63Å; R289-Y325 WeakPolarHBondContact O-CA 3.5Å; T323-Y325 HydrophobicContact CG2-CD1 4.26Å; T323-Y325 HydrophobicContact CG2-CE1 4.5Å; Y325-I327 HydrophobicContact CE2-CB 4.48Å; Y325-I327 HydrophobicContact CE2-CG2 4.35Å; Y325-V354 WeakPolarHBondContact OH-CG1 3.12Å
326	I	98.6	Very high	97.3	Very high	16 Å²	16	34 Å²	34	8%	0.082	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.4	177.1	-57.2	171.4	0	0	0	107.7	E240 E241 T242 Y287 R289	E240-I326 HydrophobicContact CG-CG2 3.4Å; E240-I326 WeakPolarHBondContact OE2-CG2 3.37Å; E241-I326 VanDerWaalsContact O-CA 3.29Å; E241-I326 WeakPolarHBondContact O-CA 3.49Å; T242-I326 HydrophobicContact CG2-CG1 4.19Å; Y287-I326 HydrophobicContact CE2-CG2 4.3Å; R289-I326 HydrophobicContact CG-CB 3.9Å; R289-I326 HydrophobicContact CG-CG2 4.43Å; R289-I326 PolarHBondContact N-O 3.49Å; R289-I326 PolarHBondContact O-N 2.91Å
327	I	98.4	Very high	97.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.1	168.8	-169.8	168.2	0	0	0	108.4	E241 I243 T277 V286 Y287 Y325	E241-I327 HydrophobicContact CB-CG2 4.01Å; E241-I327 PolarHBondContact N-O 2.85Å; E241-I327 PolarHBondContact O-N 2.85Å; I243-I327 HydrophobicContact CD1-CG2 4.1Å; T277-I327 HydrophobicContact CG2-CD1 4.34Å; V286-I327 HydrophobicContact CG1-CG1 4.45Å; Y287-I327 WeakPolarHBondContact O-CA 3.43Å; Y325-I327 HydrophobicContact CE2-CB 4.48Å; Y325-I327 HydrophobicContact CE2-CG2 4.35Å
328	G	98.3	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155	177.1	0	0	0	0	0	112.1	V239 V286 Y287	V239-G328 CarbonylContact O-C 3.58Å; V239-G328 WeakPolarHBondContact O-CA 2.99Å; V286-G328 CarbonylContact C-O 3.46Å; V286-G328 VanDerWaalsContact CA-O 3.31Å; V286-G328 WeakPolarHBondContact CA-O 3.41Å; Y287-G328 WeakPolarHBondContact CD1-O 3.41Å; Y287-G328 PolarHBondContact N-O 2.9Å; Y287-G328 PolarHBondContact O-N 3.3Å
329	Y	98.3	Very high	97.2	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	156.6	-174.7	56.7	-82.7	0	0	0	110.7	R227 V239 L279 P280 A283 L331 D352	R227-Y329 PolarHBondContact NH1-OH 3.17Å; R227-Y329 PolarHBondContact NH2-OH 2.86Å; V239-Y329 HydrophobicContact CB-CD1 4.4Å; V239-Y329 HydrophobicContact CB-CD2 4.36Å; V239-Y329 HydrophobicContact CB-CE1 3.96Å; V239-Y329 HydrophobicContact CB-CE2 3.96Å; V239-Y329 HydrophobicContact CG1-CE1 3.88Å; V239-Y329 HydrophobicContact CG1-CE2 4.46Å; V239-Y329 HydrophobicContact CG2-CE2 4.13Å; V239-Y329 PolarHBondContact N-O 3.29Å; V239-Y329 PolarHBondContact O-N 2.92Å; L279-Y329 HydrophobicContact CD1-CD1 4.18Å; L279-Y329 HydrophobicContact CD1-CG 4.34Å; L279-Y329 HydrophobicContact CD2-CD1 4.05Å; L279-Y329 HydrophobicContact CD2-CE1 3.74Å; P280-Y329 HydrophobicContact CG-CE2 4.41Å; A283-Y329 HydrophobicContact CB-CD2 3.92Å; A283-Y329 HydrophobicContact CB-CG 4.38Å; Y329-L331 HydrophobicContact CD2-CD1 4.41Å; Y329-L331 HydrophobicContact CD2-CD2 4.06Å; Y329-L331 HydrophobicContact CD2-CG 3.97Å; Y329-L331 HydrophobicContact CE2-CD1 3.89Å; Y329-L331 HydrophobicContact CE2-CD2 4.1Å; Y329-L331 HydrophobicContact CE2-CG 3.95Å; Y329-D352 PolarHBondContact OH-OD2 2.92Å; Y329-D352 VanDerWaalsContact OH-OD2 3.13Å
330	N	98.3	Very high	97.2	Very high	37 Å²	37	50.4 Å²	50.4	20%	0.198	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.3	176.5	-74.3	-34.3	0	0	0	110.3	N236 A283 Q284 D285	N236-N330 PolarHBondContact ND2-OD1 2.84Å; N236-N330 WeakPolarHBondContact OD1-CB 3.32Å; A283-N330 WeakPolarHBondContact CA-O 3.45Å; Q284-N330 PolarHBondContact N-O 2.67Å; Q284-N330 PolarHBondContact O-N 2.81Å; D285-N330 HydrophobicContact CB-CB 4.48Å; D285-N330 PolarHBondContact OD2-ND2 3.01Å
331	L	97.5	Very high	97.1	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.2	175.3	-65.3	171.2	0	0	0	109.9	N236 I237 V239 P280 A283 Y329 S333 Y336 M348	N236-L331 PolarHBondContact OD1-N 3.29Å; N236-L331 PolarHBondContact OD1-O 2.82Å; N236-L331 VanDerWaalsContact OD1-O 3.09Å; I237-L331 HydrophobicContact CB-CB 4.44Å; I237-L331 PolarHBondContact N-O 3.24Å; I237-L331 PolarHBondContact O-N 2.97Å; V239-L331 HydrophobicContact CG2-CD1 4.19Å; P280-L331 HydrophobicContact CB-CD2 4.08Å; P280-L331 HydrophobicContact CG-CD2 4.3Å; A283-L331 HydrophobicContact CB-CD2 4.27Å; Y329-L331 HydrophobicContact CD2-CD1 4.41Å; Y329-L331 HydrophobicContact CD2-CD2 4.06Å; Y329-L331 HydrophobicContact CD2-CG 3.97Å; Y329-L331 HydrophobicContact CE2-CD1 3.89Å; Y329-L331 HydrophobicContact CE2-CD2 4.1Å; Y329-L331 HydrophobicContact CE2-CG 3.95Å; L331-S333 PolarHBondContact O-N 3.49Å; L331-Y336 HydrophobicContact CB-CD2 4.22Å; L331-Y336 HydrophobicContact CB-CE2 4.01Å; L331-Y336 HydrophobicContact CD1-CD2 4.18Å; L331-Y336 HydrophobicContact CD1-CE2 3.74Å; L331-Y336 HydrophobicContact CD2-CE2 4.11Å; L331-Y336 HydrophobicContact CG-CE2 4.18Å; L331-M348 HydrophobicContact CD1-CE 3.57Å
332	P	97.2	Very high	97	Very high	18 Å²	18	52.5 Å²	52.5	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	129.3	172.1	25.9	-32.3	0	0	0	110.6	S282 Y334 E335	S282-P332 WeakPolarHBondContact O-CD 2.95Å; P332-Y334 VanDerWaalsContact C-N 3.25Å; P332-Y334 HydrophobicContact CB-CD1 3.81Å; P332-Y334 HydrophobicContact CB-CE1 3.31Å; P332-Y334 HydrophobicContact CG-CE1 4.1Å; P332-Y334 PolarHBondContact O-N 2.98Å; P332-E335 HydrophobicContact CG-CG 4.07Å; P332-E335 PolarHBondContact O-N 2.9Å
333	S	95.8	Very high	96.9	Very high	20 Å²	20	51.3 Å²	51.3	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-28.9	-173.8	66.7	0	0	0	0	113.6	G235 L331 E335 Y336 L337	G235-S333 WeakPolarHBondContact CA-OG 3.42Å; G235-S333 PolarHBondContact O-N 2.88Å; G235-S333 VanDerWaalsContact O-N 3.1Å; G235-S333 PolarHBondContact O-OG 3.09Å; L331-S333 PolarHBondContact O-N 3.49Å; S333-E335 PolarHBondContact O-N 2.87Å; S333-Y336 PolarHBondContact O-N 2.83Å; S333-L337 WeakPolarHBondContact O-CA 3.11Å; S333-L337 WeakPolarHBondContact O-CB 3.49Å; S333-L337 PolarHBondContact O-N 3.41Å
334	Y	94.9	Very high	96.9	Very high	169 Å²	169	51.3 Å²	51.3	66%	0.663	26%	0.259	S	S	*	.	H	α-helix	trans	-66.2	-18.7	-173.8	65.2	-103.2	0	0	0	114.3	P332	P332-Y334 VanDerWaalsContact C-N 3.25Å; P332-Y334 HydrophobicContact CB-CD1 3.81Å; P332-Y334 HydrophobicContact CB-CE1 3.31Å; P332-Y334 HydrophobicContact CG-CE1 4.1Å; P332-Y334 PolarHBondContact O-N 2.98Å
335	E	95.2	Very high	96.9	Very high	71 Å²	71	49.7 Å²	49.7	33%	0.332	26%	0.255	S	S	.	.	H	α-helix	trans	-81.3	-30.5	179.2	-63.9	-175	-174.8	0	0	112.4	S282 P332 S333	S282-E335 WeakPolarHBondContact CB-OE1 3.26Å; S282-E335 WeakPolarHBondContact CB-OE2 3.4Å; S282-E335 PolarHBondContact OG-OE2 2.8Å; P332-E335 HydrophobicContact CG-CG 4.07Å; P332-E335 PolarHBondContact O-N 2.9Å; S333-E335 PolarHBondContact O-N 2.87Å
336	Y	97	Very high	96.9	Very high	46 Å²	46	49.8 Å²	49.8	18%	0.18	26%	0.255	C	S	.	.	H	α-helix	trans	-115.7	-15.9	-170.8	-59.8	-80.1	0	0	0	113.3	P280 L331 S333 L346 K347 M348	P280-Y336 WeakPolarHBondContact CB-OH 3.26Å; L331-Y336 HydrophobicContact CB-CD2 4.22Å; L331-Y336 HydrophobicContact CB-CE2 4.01Å; L331-Y336 HydrophobicContact CD1-CD2 4.18Å; L331-Y336 HydrophobicContact CD1-CE2 3.74Å; L331-Y336 HydrophobicContact CD2-CE2 4.11Å; L331-Y336 HydrophobicContact CG-CE2 4.18Å; S333-Y336 PolarHBondContact O-N 2.83Å; Y336-L346 WeakPolarHBondContact O-CA 3.4Å; Y336-K347 WeakPolarHBondContact CD1-O 3.19Å; Y336-K347 PolarHBondContact O-N 2.84Å; Y336-M348 HydrophobicContact CD1-CG 3.97Å; Y336-M348 HydrophobicContact CG-CG 4.15Å
337	L	97.2	Very high	96.9	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.099	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.3	-176.7	-169.8	68.3	0	0	0	111.8	V231 S333 Y344 L346 Y423	V231-L337 HydrophobicContact CG1-CD2 4.43Å; S333-L337 WeakPolarHBondContact O-CA 3.11Å; S333-L337 WeakPolarHBondContact O-CB 3.49Å; S333-L337 PolarHBondContact O-N 3.41Å; L337-Y344 HydrophobicContact CD1-CD1 4.32Å; L337-Y344 HydrophobicContact CD2-CD1 4.04Å; L337-Y344 HydrophobicContact CD2-CE1 4.44Å; L337-Y344 HydrophobicContact CG-CD1 4.2Å; L337-L346 HydrophobicContact CD1-CB 4.06Å; L337-L346 HydrophobicContact CD1-CD1 4.19Å; L337-Y423 HydrophobicContact CD1-CE1 4.4Å; L337-Y423 VanDerWaalsContact CD1-OH 3.26Å; L337-Y423 WeakPolarHBondContact CD1-OH 3.33Å
338	Y	97.1	Very high	96.8	Very high	131 Å²	131	53.5 Å²	53.5	51%	0.514	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142.2	178.4	-55.4	-89.1	0	0	0	110.4	Y344 A345 K347	Y338-Y344 CarbonylContact O-C 3.58Å; Y338-Y344 WeakPolarHBondContact O-CA 3.37Å; Y338-A345 PolarHBondContact N-O 3.25Å; Y338-A345 PolarHBondContact O-N 3.43Å; Y338-K347 HydrophobicContact CE2-CB 4.05Å
339	T	95.8	Very high	96.7	Very high	80 Å²	80	58 Å²	58	49%	0.491	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.3	-175.9	73.7	0	0	0	0	111.9	Q343 Y344	T339-Q343 WeakPolarHBondContact CA-O 3.19Å; T339-Y344 HydrophobicContact CG2-CD1 3.43Å; T339-Y344 VanDerWaalsContact CG2-CD1 3.43Å; T339-Y344 HydrophobicContact CG2-CE1 3.36Å; T339-Y344 HydrophobicContact CG2-CG 4.38Å
340	L	96.1	Very high	96.6	Very high	136 Å²	136	58.1 Å²	58.1	71%	0.712	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	102.4	171.1	-178.3	65.7	0	0	0	109.1	D342 Q343	L340-D342 PolarHBondContact O-N 3.33Å; L340-Q343 PolarHBondContact N-O 3.07Å; L340-Q343 WeakPolarHBondContact O-CB 3.48Å; L340-Q343 PolarHBondContact O-N 2.95Å
341	G	94	Very high	96.5	Very high	54 Å²	54	56.4 Å²	56.4	56%	0.557	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-119.5	-171.7	0	0	0	0	0	111.5
342	D	94.8	Very high	96.5	Very high	90 Å²	90	56.4 Å²	56.4	48%	0.481	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	3.9	175.9	-68	-18.7	0	0	0	112.9	L340 Y344 T424 F425	L340-D342 PolarHBondContact O-N 3.33Å; D342-Y344 WeakPolarHBondContact O-CD2 3.48Å; D342-T424 WeakPolarHBondContact O-CA 3.38Å; D342-F425 PolarHBondContact O-N 3.32Å
343	Q	97	Very high	96.5	Very high	120 Å²	120	56.5 Å²	56.5	56%	0.561	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.8	175.1	-64.8	-178.6	-10.8	0	0	110.4	T339 L340 T424	T339-Q343 WeakPolarHBondContact CA-O 3.19Å; L340-Q343 PolarHBondContact N-O 3.07Å; L340-Q343 WeakPolarHBondContact O-CB 3.48Å; L340-Q343 PolarHBondContact O-N 2.95Å; Q343-T424 HydrophobicContact CG-CG2 4.14Å
344	Y	97.8	Very high	96.6	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.4	-179.2	-69.4	-100.9	0	0	0	109.3	H233 L337 Y338 T339 D342 H422 Y423 F425 K427	H233-Y344 AromaticContact CD2-CE1 3.43Å; H233-Y344 VanDerWaalsContact CD2-CE1 3.43Å; H233-Y344 WeakPolarHBondContact CD2-CE1 3.34Å; H233-Y344 AromaticContact CD2-CZ 3.65Å; H233-Y344 AromaticContact NE2-CD1 3.44Å; H233-Y344 WeakPolarHBondContact NE2-CD1 3.41Å; H233-Y344 AromaticContact NE2-CE1 3.39Å; H233-Y344 WeakPolarHBondContact NE2-CE1 3.45Å; H233-Y344 AromaticContact NE2-CG 3.88Å; H233-Y344 AromaticContact NE2-CZ 3.79Å; L337-Y344 HydrophobicContact CD1-CD1 4.32Å; L337-Y344 HydrophobicContact CD2-CD1 4.04Å; L337-Y344 HydrophobicContact CD2-CE1 4.44Å; L337-Y344 HydrophobicContact CG-CD1 4.2Å; Y338-Y344 CarbonylContact O-C 3.58Å; Y338-Y344 WeakPolarHBondContact O-CA 3.37Å; T339-Y344 HydrophobicContact CG2-CD1 3.43Å; T339-Y344 VanDerWaalsContact CG2-CD1 3.43Å; T339-Y344 HydrophobicContact CG2-CE1 3.36Å; T339-Y344 HydrophobicContact CG2-CG 4.38Å; D342-Y344 WeakPolarHBondContact O-CD2 3.48Å; Y344-H422 WeakPolarHBondContact O-CA 3.28Å; Y344-Y423 VanDerWaalsContact CB-CE2 3.48Å; Y344-Y423 WeakPolarHBondContact CB-OH 3.33Å; Y344-Y423 HydrophobicContact CD1-CE2 4.49Å; Y344-Y423 HydrophobicContact CD2-CE2 4.15Å; Y344-Y423 AromaticContact CG-CE2 3.81Å; Y344-Y423 HydrophobicContact CG-CE2 3.81Å; Y344-Y423 AromaticContact CG-CZ 3.94Å; Y344-Y423 PolarHBondContact N-O 3.15Å; Y344-Y423 PolarHBondContact O-N 3.27Å; Y344-F425 HydrophobicContact CD2-CB 3.86Å; Y344-F425 HydrophobicContact CE2-CB 3.77Å; Y344-F425 HydrophobicContact CE2-CD1 4.08Å; Y344-F425 HydrophobicContact CE2-CG 4.44Å; Y344-K427 WeakPolarHBondContact OH-CE 3.42Å; Y344-K427 WeakPolarHBondContact OH-CG 3.42Å
345	A	98.1	Very high	96.7	Very high	18 Å²	18	48 Å²	48	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.8	173.2	0	0	0	0	0	108.8	Y338 V420 V421 H422	Y338-A345 PolarHBondContact N-O 3.25Å; Y338-A345 PolarHBondContact O-N 3.43Å; A345-V420 HydrophobicContact CB-CG1 4.49Å; A345-V421 CarbonylContact C-O 3.58Å; A345-V421 WeakPolarHBondContact CA-O 3.32Å; A345-H422 WeakPolarHBondContact CB-ND1 3.11Å
346	L	98.1	Very high	96.8	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.7	171.8	179.8	76	0	0	0	108.5	V231 I237 Y336 L337 M348 L367 V420 V421	V231-L346 HydrophobicContact CG2-CD1 4.27Å; V231-L346 HydrophobicContact CG2-CD2 3.74Å; I237-L346 HydrophobicContact CD1-CD1 3.67Å; Y336-L346 WeakPolarHBondContact O-CA 3.4Å; L337-L346 HydrophobicContact CD1-CB 4.06Å; L337-L346 HydrophobicContact CD1-CD1 4.19Å; L346-M348 HydrophobicContact CD1-CG 3.97Å; L346-M348 HydrophobicContact CD1-SD 3.88Å; L346-M348 HydrophobicContact CD2-CG 4.42Å; L346-M348 HydrophobicContact CD2-SD 4.13Å; L346-M348 HydrophobicContact CG-CG 4.04Å; L346-M348 HydrophobicContact CG-SD 4.21Å; L346-L367 HydrophobicContact CD2-CD1 3.7Å; L346-L367 HydrophobicContact CD2-CD2 4.18Å; L346-L367 HydrophobicContact CD2-CG 4.1Å; L346-V420 CarbonylContact O-C 3.52Å; L346-V420 VanDerWaalsContact O-CA 3.26Å; L346-V420 WeakPolarHBondContact O-CA 3.43Å; L346-V421 HydrophobicContact CB-CB 4.48Å; L346-V421 PolarHBondContact N-O 3.4Å; L346-V421 PolarHBondContact O-N 2.67Å
347	K	97.8	Very high	96.7	Very high	89 Å²	89	49.1 Å²	49.1	39%	0.387	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.9	173.2	178.9	176.7	175	-174.6	0	109.3	Y336 Y338 D418 I419 V420	Y336-K347 WeakPolarHBondContact CD1-O 3.19Å; Y336-K347 PolarHBondContact O-N 2.84Å; Y338-K347 HydrophobicContact CE2-CB 4.05Å; K347-D418 WeakPolarHBondContact CE-OD2 3.5Å; K347-D418 HydrophobicContact CG-CB 3.97Å; K347-D418 IonicContact NZ-OD2 2.73Å; K347-I419 WeakPolarHBondContact CA-O 3.42Å; K347-V420 HydrophobicContact CB-CG2 4.24Å; K347-V420 HydrophobicContact CD-CG2 4.38Å; K347-V420 HydrophobicContact CG-CG2 4.02Å
348	M	96.7	Very high	96.7	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.8	-179	-67.8	-170.7	77.1	0	0	111.4	I229 I237 V239 L331 Y336 L346 L350 D418 I419	I229-M348 HydrophobicContact CD1-SD 4.44Å; I229-M348 HydrophobicContact CG2-CE 4.29Å; I229-M348 HydrophobicContact CG2-SD 3.62Å; I237-M348 HydrophobicContact CD1-SD 4.38Å; I237-M348 HydrophobicContact CG2-CE 4.07Å; I237-M348 HydrophobicContact CG2-SD 3.83Å; V239-M348 HydrophobicContact CG2-CE 3.86Å; L331-M348 HydrophobicContact CD1-CE 3.57Å; Y336-M348 HydrophobicContact CD1-CG 3.97Å; Y336-M348 HydrophobicContact CG-CG 4.15Å; L346-M348 HydrophobicContact CD1-CG 3.97Å; L346-M348 HydrophobicContact CD1-SD 3.88Å; L346-M348 HydrophobicContact CD2-CG 4.42Å; L346-M348 HydrophobicContact CD2-SD 4.13Å; L346-M348 HydrophobicContact CG-CG 4.04Å; L346-M348 HydrophobicContact CG-SD 4.21Å; M348-L350 PolarHBondContact O-N 3.39Å; M348-D418 CarbonylContact O-C 3.56Å; M348-D418 VanDerWaalsContact O-CA 3.31Å; M348-D418 WeakPolarHBondContact O-CA 3.49Å; M348-I419 PolarHBondContact N-O 3.45Å; M348-I419 WeakPolarHBondContact O-CG2 3.39Å; M348-I419 PolarHBondContact O-N 2.6Å
349	R	96.9	Very high	96.8	Very high	95 Å²	95	42 Å²	42	36%	0.358	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	128	173.1	-67.6	176.7	177.5	171.4	0	111.3	D352 I416 D418	R349-D352 WeakPolarHBondContact CD-OD1 3.36Å; R349-D352 IonicContact CZ-OD1 2.75Å; R349-D352 IonicContact NE-OD1 3.81Å; R349-D352 IonicContact NH1-OD1 3.49Å; R349-D352 PolarHBondContact NH1-OD1 2.81Å; R349-I416 HydrophobicContact CG-CG2 4.34Å; R349-D418 WeakPolarHBondContact CG-OD1 3.43Å; R349-D418 PolarHBondContact N-OD1 2.91Å
350	L	96.1	Very high	96.9	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.201	C	C	.	.	S	Bend	trans	-65.2	-45.5	177.2	-174.7	76.7	0	0	0	111.3	M348 V365 Y382 I384 Q417 I419	M348-L350 PolarHBondContact O-N 3.39Å; L350-V365 HydrophobicContact CD1-CB 4.46Å; L350-V365 HydrophobicContact CD1-CG2 3.96Å; L350-V365 HydrophobicContact CG-CG2 4.19Å; L350-V365 WeakPolarHBondContact O-CG2 3.45Å; L350-Y382 HydrophobicContact CD2-CE2 3.55Å; L350-Y382 WeakPolarHBondContact CD2-OH 3.35Å; L350-I384 HydrophobicContact CD2-CG2 3.84Å; L350-Q417 PolarHBondContact N-O 3Å; L350-I419 HydrophobicContact CB-CB 4.29Å; L350-I419 HydrophobicContact CB-CG2 4.08Å; L350-I419 HydrophobicContact CD1-CB 3.98Å; L350-I419 HydrophobicContact CD1-CD1 3.57Å; L350-I419 HydrophobicContact CD1-CG1 4.38Å; L350-I419 HydrophobicContact CD1-CG2 3.89Å
351	V	96.8	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-128.4	141.3	171.6	64	0	0	0	0	107.3	I360 L363 H415 I416	V351-I360 HydrophobicContact CG2-CD1 3.44Å; V351-I360 VanDerWaalsContact CG2-CD1 3.44Å; V351-L363 HydrophobicContact CB-CD2 3.92Å; V351-L363 HydrophobicContact CG2-CD2 4.3Å; V351-H415 HydrophobicContact CG1-CB 4.25Å; V351-H415 WeakPolarHBondContact CG1-O 3.35Å; V351-I416 HydrophobicContact CG1-CG1 4.24Å
352	D	96.2	Very high	97.2	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	16%	0.163	C	C	.	.			trans	-112.2	174.9	-178	-141.2	-16.7	0	0	0	110.8	R227 Y329 R349 V354 Q358	R227-D352 IonicContact CZ-OD2 2.59Å; R227-D352 VanDerWaalsContact NH1-CB 3.3Å; R227-D352 IonicContact NH1-OD2 2.86Å; R227-D352 IonicContact NH2-OD2 3.82Å; R227-D352 PolarHBondContact NH2-OD2 2.78Å; R227-D352 VanDerWaalsContact NH2-OD2 3.09Å; Y329-D352 PolarHBondContact OH-OD2 2.92Å; Y329-D352 VanDerWaalsContact OH-OD2 3.13Å; R349-D352 WeakPolarHBondContact CD-OD1 3.36Å; R349-D352 IonicContact CZ-OD1 2.75Å; R349-D352 IonicContact NE-OD1 3.81Å; R349-D352 IonicContact NH1-OD1 3.49Å; R349-D352 PolarHBondContact NH1-OD1 2.81Å; D352-V354 PolarHBondContact O-N 3.35Å; D352-Q358 PolarHBondContact O-NE2 2.88Å; D352-Q358 PolarHBondContact O-OE1 3.13Å
353	H	98	Very high	97.4	Very high	21 Å²	21	28.6 Å²	28.6	10%	0.097	14%	0.141	C	C	.	.			trans	-77.2	118.6	179.4	177.6	-71.1	0	0	0	111.6	K276 T277 I278 Y355 D356 I416	K276-H353 PolarHBondContact O-CE1 3.09Å; T277-H353 VanDerWaalsContact CG2-O 3.27Å; T277-H353 WeakPolarHBondContact CG2-O 3.32Å; I278-H353 HydrophobicContact CB-CB 4.21Å; I278-H353 PolarHBondContact N-ND1 2.87Å; H353-Y355 VanDerWaalsContact CE1-CA 3.49Å; H353-Y355 WeakPolarHBondContact CE1-CA 3.47Å; H353-D356 IonicContact CE1-OD1 3.61Å; H353-D356 IonicContact NE2-OD1 2.72Å; H353-D356 PolarHBondContact NE2-OD1 3.29Å; H353-I416 HydrophobicContact CB-CD1 4.17Å
354	V	97.5	Very high	97.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.124	C	C	.	.	S	Bend	trans	-99.5	-47.6	174.4	-173.5	0	0	0	0	111.5	I222 I225 I243 M245 K276 T277 Y325 D352	I222-V354 HydrophobicContact CD1-CB 3.85Å; I222-V354 HydrophobicContact CD1-CG1 3.9Å; I222-V354 HydrophobicContact CD1-CG2 3.9Å; I225-V354 HydrophobicContact CD1-CG2 4.12Å; I243-V354 HydrophobicContact CD1-CG1 3.98Å; I243-V354 HydrophobicContact CD1-CG2 4.29Å; M245-V354 HydrophobicContact CE-CG1 4.2Å; K276-V354 VanDerWaalsContact O-O 3.07Å; T277-V354 VanDerWaalsContact CA-O 3.3Å; T277-V354 WeakPolarHBondContact CA-O 3.43Å; T277-V354 WeakPolarHBondContact CB-O 3.44Å; T277-V354 PolarHBondContact OG1-O 3.44Å; Y325-V354 WeakPolarHBondContact OH-CG1 3.12Å; D352-V354 PolarHBondContact O-N 3.35Å
355	Y	97.1	Very high	97.5	Very high	8 Å²	8	24 Å²	24	3%	0.031	12%	0.123	C	C	.	.	S	Bend	trans	-157.5	157.4	175.4	67.3	-81.5	0	0	0	111	L220 I222 M245 K276 H353 D357 Q358 V359	L220-Y355 VanDerWaalsContact C-OH 3.28Å; L220-Y355 HydrophobicContact CB-CE1 4.36Å; L220-Y355 HydrophobicContact CB-CE2 3.83Å; L220-Y355 HydrophobicContact CD1-CD2 4.41Å; L220-Y355 PolarHBondContact O-OH 2.85Å; I222-Y355 HydrophobicContact CD1-CD1 4.18Å; I222-Y355 HydrophobicContact CD1-CE1 3.66Å; I222-Y355 HydrophobicContact CG1-CE1 3.9Å; M245-Y355 HydrophobicContact CE-CD1 4.25Å; M245-Y355 HydrophobicContact CE-CE1 4.39Å; K276-Y355 WeakPolarHBondContact O-CA 3.33Å; H353-Y355 VanDerWaalsContact CE1-CA 3.49Å; H353-Y355 WeakPolarHBondContact CE1-CA 3.47Å; Y355-D357 PolarHBondContact O-N 3.4Å; Y355-Q358 HydrophobicContact CD1-CB 3.97Å; Y355-Q358 HydrophobicContact CE1-CB 3.7Å; Y355-Q358 HydrophobicContact CE2-CB 4.3Å; Y355-Q358 HydrophobicContact CG-CB 4.37Å; Y355-Q358 VanDerWaalsContact CZ-CA 3.47Å; Y355-Q358 VanDerWaalsContact O-CB 3.32Å; Y355-Q358 WeakPolarHBondContact O-CB 3.21Å; Y355-Q358 PolarHBondContact O-N 3.11Å; Y355-V359 PolarHBondContact OH-N 2.79Å; Y355-V359 VanDerWaalsContact OH-N 3.13Å
356	D	96.6	Very high	97.5	Very high	105 Å²	105	26.4 Å²	26.4	56%	0.561	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	137.3	177.6	-57.5	-14.5	0	0	0	111.6	H353 Q358 E413	H353-D356 IonicContact CE1-OD1 3.61Å; H353-D356 IonicContact NE2-OD1 2.72Å; H353-D356 PolarHBondContact NE2-OD1 3.29Å; D356-Q358 VanDerWaalsContact C-N 3.31Å; D356-Q358 PolarHBondContact O-N 2.82Å; D356-E413 WeakPolarHBondContact CA-OE1 3.14Å
357	D	95.7	Very high	97.5	Very high	36 Å²	36	26.5 Å²	26.5	19%	0.193	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	37	-175.2	-60.5	-74.2	0	0	0	113.4	T42 H43 L44 K46 Y355 E413	T42-D357 VanDerWaalsContact CG2-OD2 3.25Å; T42-D357 WeakPolarHBondContact CG2-OD2 3.36Å; H43-D357 PolarHBondContact CE1-O 3.36Å; H43-D357 PolarHBondContact NE2-O 2.92Å; L44-D357 HydrophobicContact CD1-CB 4.32Å; K46-D357 WeakPolarHBondContact CE-OD1 3.4Å; K46-D357 IonicContact NZ-OD1 3.58Å; K46-D357 PolarHBondContact NZ-OD1 2.82Å; Y355-D357 PolarHBondContact O-N 3.4Å; D357-E413 VanDerWaalsContact N-CD 3.33Å; D357-E413 PolarHBondContact N-OE1 2.97Å
358	Q	97.3	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.			trans	-59	145.4	-176.3	68.6	-173.3	30.4	0	0	114.3	D352 Y355 D356 V412 E413	D352-Q358 PolarHBondContact O-NE2 2.88Å; D352-Q358 PolarHBondContact O-OE1 3.13Å; Y355-Q358 HydrophobicContact CD1-CB 3.97Å; Y355-Q358 HydrophobicContact CE1-CB 3.7Å; Y355-Q358 HydrophobicContact CE2-CB 4.3Å; Y355-Q358 HydrophobicContact CG-CB 4.37Å; Y355-Q358 VanDerWaalsContact CZ-CA 3.47Å; Y355-Q358 VanDerWaalsContact O-CB 3.32Å; Y355-Q358 WeakPolarHBondContact O-CB 3.21Å; Y355-Q358 PolarHBondContact O-N 3.11Å; D356-Q358 VanDerWaalsContact C-N 3.31Å; D356-Q358 PolarHBondContact O-N 2.82Å; Q358-V412 WeakPolarHBondContact O-CA 3.45Å; Q358-E413 HydrophobicContact CG-CG 3.87Å
359	V	98.1	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.4	165.7	66.3	0	0	0	0	109.8	H43 L44 L220 T221 I222 Y355 L411	H43-V359 VanDerWaalsContact CE1-CG1 3.42Å; H43-V359 WeakPolarHBondContact CE1-CG1 3.49Å; L44-V359 HydrophobicContact CD2-CB 4.22Å; L44-V359 HydrophobicContact CD2-CG2 4.49Å; L220-V359 WeakPolarHBondContact O-CG1 3.48Å; T221-V359 HydrophobicContact CG2-CG1 4.02Å; I222-V359 WeakPolarHBondContact CB-O 3.38Å; I222-V359 PolarHBondContact N-O 2.82Å; Y355-V359 PolarHBondContact OH-N 2.79Å; Y355-V359 VanDerWaalsContact OH-N 3.13Å; V359-L411 WeakPolarHBondContact CA-O 3.45Å
360	I	98.5	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.6	180	-62.7	161.2	0	0	0	108.4	I222 I225 V351 L363 N410 L411	I222-I360 HydrophobicContact CB-CB 4.45Å; I222-I360 HydrophobicContact CB-CG1 3.94Å; I222-I360 HydrophobicContact CD1-CD1 4.39Å; I222-I360 HydrophobicContact CD1-CG1 3.72Å; I222-I360 HydrophobicContact CG1-CG1 4.44Å; I222-I360 HydrophobicContact CG2-CG1 4.15Å; I222-I360 HydrophobicContact CG2-CG2 4.3Å; I222-I360 WeakPolarHBondContact O-CA 3.45Å; I225-I360 HydrophobicContact CG2-CD1 4.2Å; I225-I360 HydrophobicContact CG2-CG1 4.33Å; I225-I360 HydrophobicContact CG2-CG2 3.55Å; V351-I360 HydrophobicContact CG2-CD1 3.44Å; V351-I360 VanDerWaalsContact CG2-CD1 3.44Å; I360-L363 HydrophobicContact CG2-CB 4.15Å; I360-N410 CarbonylContact O-C 3.58Å; I360-N410 WeakPolarHBondContact O-CA 3.26Å; I360-N410 PolarHBondContact O-N 3.44Å; I360-L411 HydrophobicContact CB-CB 4.16Å; I360-L411 HydrophobicContact CB-CD1 4.41Å; I360-L411 HydrophobicContact CD1-CB 4.46Å; I360-L411 HydrophobicContact CG2-CD1 4.13Å; I360-L411 PolarHBondContact N-O 3.13Å; I360-L411 PolarHBondContact O-N 2.84Å
361	D	98.4	Very high	97.4	Very high	39 Å²	39	18.4 Å²	18.4	21%	0.209	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-43.3	177.6	-69.6	-12.7	0	0	0	110.3	H132 T221 I222 S223 R246 N409 N410	H132-D361 IonicContact CD2-OD1 3.95Å; H132-D361 IonicContact CE1-OD1 3.21Å; H132-D361 PolarHBondContact CE1-OD1 2.91Å; H132-D361 IonicContact NE2-OD1 3.67Å; H132-D361 PolarHBondContact NE2-OD1 3.08Å; T221-D361 WeakPolarHBondContact CG2-OD1 3.4Å; T221-D361 VanDerWaalsContact CG2-OD2 3.31Å; T221-D361 WeakPolarHBondContact CG2-OD2 3.35Å; I222-D361 PolarHBondContact O-N 2.86Å; S223-D361 WeakPolarHBondContact O-CB 3.17Å; R246-D361 IonicContact CZ-OD2 2.65Å; R246-D361 IonicContact NH2-OD2 3.84Å; R246-D361 PolarHBondContact NH2-OD2 3.07Å; D361-N409 VanDerWaalsContact O-CA 3.24Å; D361-N409 WeakPolarHBondContact O-CA 3.2Å; D361-N409 WeakPolarHBondContact O-CB 3.49Å; D361-N410 PolarHBondContact O-N 3.34Å; D361-N410 VanDerWaalsContact O-N 3.07Å
362	S	98.4	Very high	97.2	Very high	39 Å²	39	19 Å²	19	27%	0.273	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	123	-178.3	172.6	0	0	0	0	112	S223 S224 I225	S223-S362 PolarHBondContact O-N 2.98Å; S224-S362 CarbonylContact C-O 3.53Å; S224-S362 VanDerWaalsContact CA-O 3.31Å; S224-S362 WeakPolarHBondContact CA-O 3.37Å; I225-S362 PolarHBondContact N-O 2.98Å
363	L	98.4	Very high	97.2	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.1	171.5	170.7	68.8	0	0	0	109.8	I225 R227 V351 I360 V365 S407 K408 L411	I225-L363 HydrophobicContact CG2-CB 4.14Å; I225-L363 HydrophobicContact CG2-CD1 3.59Å; I225-L363 HydrophobicContact CG2-CG 4.47Å; I225-L363 WeakPolarHBondContact O-CA 3.31Å; R227-L363 HydrophobicContact CB-CD1 4.42Å; V351-L363 HydrophobicContact CB-CD2 3.92Å; V351-L363 HydrophobicContact CG2-CD2 4.3Å; I360-L363 HydrophobicContact CG2-CB 4.15Å; L363-V365 HydrophobicContact CD1-CG2 3.9Å; L363-V365 HydrophobicContact CD2-CG2 3.84Å; L363-V365 HydrophobicContact CG-CG2 3.85Å; L363-S407 WeakPolarHBondContact O-CA 3.46Å; L363-K408 PolarHBondContact N-O 2.86Å; L363-K408 PolarHBondContact O-N 3.16Å; L363-L411 HydrophobicContact CB-CD1 3.31Å; L363-L411 HydrophobicContact CD2-CD1 3.62Å; L363-L411 HydrophobicContact CG-CD1 4.11Å
364	T	98.3	Very high	97.1	Very high	33 Å²	33	26.7 Å²	26.7	20%	0.202	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.9	163.6	-61	0	0	0	0	109.2	I225 T226 R227 K366 V405 A406	I225-T364 PolarHBondContact O-N 2.84Å; T226-T364 CarbonylContact C-O 3.54Å; T226-T364 WeakPolarHBondContact CA-O 3.28Å; R227-T364 PolarHBondContact N-O 2.94Å; T364-K366 HydrophobicContact CG2-CG 4.32Å; T364-V405 HydrophobicContact CG2-CG1 4.03Å; T364-A406 CarbonylContact C-O 3.59Å; T364-A406 WeakPolarHBondContact CA-O 3.14Å
365	V	98.1	Very high	97	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.1	174	-177	0	0	0	0	108.8	R227 I229 L350 L363 V405 A406	R227-V365 CarbonylContact O-C 3.49Å; R227-V365 WeakPolarHBondContact O-CA 3.38Å; I229-V365 HydrophobicContact CD1-CG1 4.49Å; L350-V365 HydrophobicContact CD1-CB 4.46Å; L350-V365 HydrophobicContact CD1-CG2 3.96Å; L350-V365 HydrophobicContact CG-CG2 4.19Å; L350-V365 WeakPolarHBondContact O-CG2 3.45Å; L363-V365 HydrophobicContact CD1-CG2 3.9Å; L363-V365 HydrophobicContact CD2-CG2 3.84Å; L363-V365 HydrophobicContact CG-CG2 3.85Å; V365-V405 WeakPolarHBondContact O-CA 3.11Å; V365-A406 PolarHBondContact N-O 2.7Å; V365-A406 PolarHBondContact O-N 2.87Å
366	K	98.3	Very high	97	Very high	67 Å²	67	34.3 Å²	34.3	29%	0.291	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112	173.4	-64	-174.8	-178.2	-179.6	0	108.9	T226 R227 I228 I229 T364 V403 L404 V405	T226-K366 HydrophobicContact CG2-CD 4.42Å; R227-K366 PolarHBondContact O-N 3.42Å; I228-K366 CarbonylContact C-O 3.56Å; I228-K366 WeakPolarHBondContact CA-O 3.34Å; I228-K366 HydrophobicContact CG1-CB 4.16Å; I228-K366 HydrophobicContact CG1-CD 4.32Å; I229-K366 PolarHBondContact N-O 2.77Å; T364-K366 HydrophobicContact CG2-CG 4.32Å; K366-V403 HydrophobicContact CB-CG1 4.02Å; K366-L404 CarbonylContact C-O 3.59Å; K366-L404 WeakPolarHBondContact CA-O 3.44Å; K366-V405 HydrophobicContact CG-CG1 4.38Å; K366-V405 HydrophobicContact CG-CG2 4.35Å
367	L	98	Very high	96.9	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.9	179.2	-167.5	164	0	0	0	108.6	I229 L346 L369 V403 L404 V421	I229-L367 HydrophobicContact CB-CG 4.5Å; I229-L367 CarbonylContact O-C 3.57Å; I229-L367 WeakPolarHBondContact O-CA 3.49Å; L346-L367 HydrophobicContact CD2-CD1 3.7Å; L346-L367 HydrophobicContact CD2-CD2 4.18Å; L346-L367 HydrophobicContact CD2-CG 4.1Å; L367-L369 HydrophobicContact CD2-CD1 4.37Å; L367-L369 HydrophobicContact CD2-CD2 3.27Å; L367-L369 HydrophobicContact CD2-CG 3.49Å; L367-L369 VanDerWaalsContact CD2-CG 3.49Å; L367-V403 WeakPolarHBondContact O-CA 3.33Å; L367-L404 HydrophobicContact CB-CB 4.24Å; L367-L404 PolarHBondContact N-O 3.28Å; L367-L404 PolarHBondContact O-N 3.12Å; L367-V421 HydrophobicContact CD1-CB 4.25Å; L367-V421 HydrophobicContact CD1-CG2 3.5Å
368	I	98.2	Very high	96.9	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	108.6	-178.8	-52.7	175.1	0	0	0	107.7	I228 I229 E230 V231 H392 R401 V403	I228-I368 HydrophobicContact CG2-CD1 3.65Å; I228-I368 HydrophobicContact CG2-CG1 4.27Å; I229-I368 PolarHBondContact O-N 2.88Å; E230-I368 HydrophobicContact CB-CB 4.28Å; E230-I368 HydrophobicContact CB-CD1 4.42Å; E230-I368 HydrophobicContact CG-CB 4.24Å; E230-I368 HydrophobicContact CG-CG2 4.27Å; V231-I368 PolarHBondContact N-O 2.81Å; I368-H392 HydrophobicContact CD1-CB 4.42Å; I368-H392 HydrophobicContact CG2-CB 4.21Å; I368-R401 HydrophobicContact CG2-CB 3.83Å; I368-R401 HydrophobicContact CG2-CG 4.47Å; I368-V403 HydrophobicContact CB-CG2 4.49Å; I368-V403 HydrophobicContact CG1-CG1 4.09Å; I368-V403 HydrophobicContact CG1-CG2 4Å; I368-V403 HydrophobicContact CG2-CG2 4.39Å
369	L	97.5	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-88.5	157.9	176	-67.6	175.2	0	0	0	110.5	V231 L367 A373 I376 R401 P402 V421 Y423	V231-L369 HydrophobicContact CG2-CD2 4.49Å; L367-L369 HydrophobicContact CD2-CD1 4.37Å; L367-L369 HydrophobicContact CD2-CD2 3.27Å; L367-L369 HydrophobicContact CD2-CG 3.49Å; L367-L369 VanDerWaalsContact CD2-CG 3.49Å; L369-A373 HydrophobicContact CB-CB 3.94Å; L369-A373 HydrophobicContact CD1-CB 4.33Å; L369-I376 HydrophobicContact CD1-CD1 3.68Å; L369-I376 HydrophobicContact CD1-CG1 3.76Å; L369-I376 HydrophobicContact CD1-CG2 3.96Å; L369-R401 VanDerWaalsContact O-CB 3.26Å; L369-R401 WeakPolarHBondContact O-CB 3.32Å; L369-R401 WeakPolarHBondContact O-CG 3.45Å; L369-P402 HydrophobicContact CB-CG 4.13Å; L369-P402 PolarHBondContact N-O 3.49Å; L369-V421 HydrophobicContact CD1-CG1 4.31Å; L369-Y423 HydrophobicContact CD1-CD1 4.17Å; L369-Y423 HydrophobicContact CD1-CG 4.28Å; L369-Y423 HydrophobicContact CD2-CD1 3.75Å; L369-Y423 HydrophobicContact CD2-CE1 3.6Å; L369-Y423 HydrophobicContact CD2-CG 4.4Å
370	P	95.5	Very high	96.8	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.026	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62.3	155.5	178.3	-9.6	17.5	0	0	0	113	H233 G372 A373 F425	H233-P370 WeakPolarHBondContact CE1-CG 3.49Å; H233-P370 WeakPolarHBondContact ND1-CG 3.31Å; P370-G372 PolarHBondContact O-N 2.97Å; P370-A373 WeakPolarHBondContact O-CB 3.26Å; P370-A373 PolarHBondContact O-N 2.9Å; P370-A373 VanDerWaalsContact O-N 3.12Å; P370-F425 HydrophobicContact CB-CE2 4.23Å
371	E	93.9	Very high	96.5	Very high	13 Å²	13	44 Å²	44	6%	0.061	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	124.9	175.7	-178.9	167.9	-115.3	0	0	110.2	T398 F399 G400 R401 F425 Q432	E371-T398 PolarHBondContact OE1-N 2.85Å; E371-T398 PolarHBondContact OE1-OG1 3.49Å; E371-T398 PolarHBondContact OE2-N 2.7Å; E371-T398 PolarHBondContact OE2-OG1 3.39Å; E371-T398 VanDerWaalsContact OE2-OG1 3.12Å; E371-F399 HydrophobicContact CB-CE2 4.43Å; E371-F399 HydrophobicContact CG-CD1 4.35Å; E371-F399 HydrophobicContact CG-CD2 3.64Å; E371-F399 HydrophobicContact CG-CE1 3.87Å; E371-F399 HydrophobicContact CG-CE2 3.1Å; E371-F399 HydrophobicContact CG-CG 4.25Å; E371-F399 HydrophobicContact CG-CZ 3.23Å; E371-F399 WeakPolarHBondContact OE1-CA 3.21Å; E371-F399 WeakPolarHBondContact OE1-CD1 3.5Å; E371-F399 WeakPolarHBondContact OE1-CD2 3.49Å; E371-F399 VanDerWaalsContact OE1-CG 3.32Å; E371-F399 WeakPolarHBondContact OE1-CG 3.04Å; E371-F399 PolarHBondContact OE1-N 3.12Å; E371-G400 PolarHBondContact OE1-N 2.88Å; E371-R401 HydrophobicContact CB-CG 4.19Å; E371-F425 WeakPolarHBondContact O-CE2 3.47Å; E371-Q432 PolarHBondContact OE2-NE2 3.04Å
372	G	93.3	Very high	96.3	Very high	11 Å²	11	43.4 Å²	43.4	11%	0.113	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	4.5	-178.3	0	0	0	0	0	115.6	P370	P370-G372 PolarHBondContact O-N 2.97Å
373	A	96.3	Very high	96.1	Very high	12 Å²	12	46.9 Å²	46.9	10%	0.099	24%	0.242	C	C	.	.			trans	-61.6	133	167.4	0	0	0	0	0	111.5	L369 P370 P402 Y423	L369-A373 HydrophobicContact CB-CB 3.94Å; L369-A373 HydrophobicContact CD1-CB 4.33Å; P370-A373 WeakPolarHBondContact O-CB 3.26Å; P370-A373 PolarHBondContact O-N 2.9Å; P370-A373 VanDerWaalsContact O-N 3.12Å; A373-P402 HydrophobicContact CB-CG 4.04Å; A373-Y423 HydrophobicContact CB-CD2 3.89Å; A373-Y423 HydrophobicContact CB-CG 4.41Å
374	R	94.7	Very high	95.9	Very high	174 Å²	174	48.3 Å²	48.3	66%	0.657	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.7	-177.3	-64.5	179.2	-176	-169.5	-0	111.4	I376 T424	R374-I376 PolarHBondContact O-N 3.32Å; R374-T424 PolarHBondContact N-O 2.83Å; R374-T424 PolarHBondContact O-N 3.38Å; R374-T424 PolarHBondContact O-OG1 2.85Å
375	N	96.1	Very high	95.8	Very high	129 Å²	129	51.6 Å²	51.6	69%	0.69	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.9	50.8	176.8	-52.9	-48.7	0	0	0	112.3	H377 T424	N375-H377 PolarHBondContact O-N 3.16Å; N375-T424 HydrophobicContact CB-CG2 4.49Å; N375-T424 PolarHBondContact ND2-OG1 2.96Å
376	I	96.7	Very high	95.6	Very high	41 Å²	41	57.9 Å²	57.9	21%	0.21	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118.9	-175.2	-56.6	161.7	0	0	0	109.2	L369 R374 V378 P402 L404 V421 H422	L369-I376 HydrophobicContact CD1-CD1 3.68Å; L369-I376 HydrophobicContact CD1-CG1 3.76Å; L369-I376 HydrophobicContact CD1-CG2 3.96Å; R374-I376 PolarHBondContact O-N 3.32Å; I376-V378 HydrophobicContact CG2-CG2 4.41Å; I376-P402 HydrophobicContact CD1-CB 4.06Å; I376-P402 HydrophobicContact CD1-CG 4.19Å; I376-L404 HydrophobicContact CG2-CD1 4.34Å; I376-V421 HydrophobicContact CG2-CG1 3.94Å; I376-H422 CarbonylContact C-O 3.6Å; I376-H422 WeakPolarHBondContact CA-O 3.36Å
377	H	95.8	Very high	95.4	Very high	111 Å²	111	57.5 Å²	57.5	51%	0.514	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.7	174.1	-174.4	66.7	0	0	0	109.7	N375 V421 H422	N375-H377 PolarHBondContact O-N 3.16Å; H377-V421 CarbonylContact O-C 3.51Å; H377-V421 WeakPolarHBondContact O-CA 3.47Å; H377-H422 HydrophobicContact CB-CB 4.31Å; H377-H422 PolarHBondContact N-O 2.87Å; H377-H422 PolarHBondContact O-N 3.18Å
378	V	95.8	Very high	95.3	Very high	26 Å²	26	62.5 Å²	62.5	16%	0.158	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.4	-175.3	-178.5	0	0	0	0	109.4	I376 T380 L404 I419 V420 V421	I376-V378 HydrophobicContact CG2-CG2 4.41Å; V378-T380 HydrophobicContact CG1-CG2 3.79Å; V378-L404 HydrophobicContact CG1-CD2 4.4Å; V378-L404 HydrophobicContact CG2-CD1 3.33Å; V378-L404 HydrophobicContact CG2-CD2 3.86Å; V378-L404 HydrophobicContact CG2-CG 4.21Å; V378-I419 HydrophobicContact CG1-CD1 3.53Å; V378-I419 HydrophobicContact CG1-CG1 3.86Å; V378-V420 WeakPolarHBondContact CA-O 3.47Å; V378-V421 HydrophobicContact CG1-CG2 4.23Å; V378-V421 HydrophobicContact CG2-CG1 4.22Å; V378-V421 HydrophobicContact CG2-CG2 4Å
379	E	96.5	Very high	95.1	Very high	99 Å²	99	65.7 Å²	65.7	46%	0.463	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.1	172.6	-58.1	-176.1	174.9	0	0	108.7	V420 H422	E379-V420 HydrophobicContact CB-CB 4.26Å; E379-V420 PolarHBondContact N-O 3.25Å; E379-V420 PolarHBondContact O-N 2.97Å; E379-H422 IonicContact OE1-CD2 3.27Å; E379-H422 IonicContact OE1-NE2 3.63Å
380	T	95.7	Very high	95	Very high	61 Å²	61	70.2 Å²	70.2	37%	0.374	36%	0.361	S	S	.	.			trans	-115	135.8	-171.7	60.5	0	0	0	0	110	V378 Y382 I384 I419	V378-T380 HydrophobicContact CG1-CG2 3.79Å; T380-Y382 VanDerWaalsContact C-N 3.26Å; T380-Y382 PolarHBondContact O-N 2.79Å; T380-Y382 PolarHBondContact OG1-O 2.8Å; T380-I384 HydrophobicContact CG2-CD1 3.29Å; T380-I384 HydrophobicContact CG2-CG1 3.71Å; T380-I419 HydrophobicContact CG2-CD1 4.4Å
381	P	93.4	Very high	95.1	Very high	47 Å²	47	75 Å²	75	31%	0.305	39%	0.385	S	S	.	.	S	Bend	trans	-68.6	-26.1	-177.1	25.2	-32.4	0	0	0	113.1	Q417 D418	P381-Q417 HydrophobicContact CB-CB 3.7Å; P381-Q417 HydrophobicContact CG-CB 3.74Å; P381-D418 WeakPolarHBondContact CD-O 3.45Å; P381-D418 WeakPolarHBondContact CG-O 3.15Å
382	Y	93.2	Very high	95.2	Very high	27 Å²	27	77.6 Å²	77.6	11%	0.106	40%	0.397	C	S	.	.	S	Bend	trans	-149.4	165.9	178.1	43.3	-107.6	0	0	0	109.9	L350 T380 I384 K408 L411 H415 Q417	L350-Y382 HydrophobicContact CD2-CE2 3.55Å; L350-Y382 WeakPolarHBondContact CD2-OH 3.35Å; T380-Y382 VanDerWaalsContact C-N 3.26Å; T380-Y382 PolarHBondContact O-N 2.79Å; T380-Y382 PolarHBondContact OG1-O 2.8Å; Y382-I384 HydrophobicContact CD2-CG2 3.87Å; Y382-I384 HydrophobicContact CE2-CG2 3.83Å; Y382-I384 PolarHBondContact O-N 2.78Å; Y382-K408 HydrophobicContact CD2-CD 3.74Å; Y382-K408 HydrophobicContact CE2-CD 3.5Å; Y382-K408 VanDerWaalsContact CE2-CD 3.5Å; Y382-L411 HydrophobicContact CE2-CD2 4.34Å; Y382-H415 HydrophobicContact CE1-CB 4.01Å; Y382-H415 AromaticContact CE1-CD2 3.98Å; Y382-H415 VanDerWaalsContact CE1-O 3.31Å; Y382-H415 WeakPolarHBondContact CE1-O 3.43Å; Y382-H415 PolarHBondContact OH-O 3.07Å; Y382-Q417 HydrophobicContact CE1-CB 4.13Å; Y382-Q417 HydrophobicContact CE1-CG 4.31Å
383	P	93.4	Very high	95.3	Very high	111 Å²	111	84 Å²	84	72%	0.721	42%	0.419	S	S	*	.			trans	-57.8	127.5	178.5	-25.3	35.1	0	0	0	112.6	K408	P383-K408 PolarHBondContact O-NZ 2.9Å
384	I	95.1	Very high	95.2	Very high	33 Å²	33	85.7 Å²	85.7	17%	0.169	43%	0.429	C	S	.	.			trans	-132.2	152.6	175.8	62.1	176	0	0	0	109.7	L350 T380 Y382 R386 A406 K408 I419	L350-I384 HydrophobicContact CD2-CG2 3.84Å; T380-I384 HydrophobicContact CG2-CD1 3.29Å; T380-I384 HydrophobicContact CG2-CG1 3.71Å; Y382-I384 HydrophobicContact CD2-CG2 3.87Å; Y382-I384 HydrophobicContact CE2-CG2 3.83Å; Y382-I384 PolarHBondContact O-N 2.78Å; I384-R386 PolarHBondContact O-N 2.9Å; I384-A406 HydrophobicContact CD1-CB 3.74Å; I384-A406 HydrophobicContact CG1-CB 4.49Å; I384-K408 HydrophobicContact CG2-CB 4.39Å; I384-K408 HydrophobicContact CG2-CD 3.89Å; I384-I419 HydrophobicContact CD1-CD1 4.46Å
385	D	95.8	Very high	95	Very high	102 Å²	102	87.4 Å²	87.4	55%	0.545	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.4	178	-62.4	-44.8	0	0	0	109.6	A406 S407	D385-A406 CarbonylContact O-C 3.55Å; D385-A406 WeakPolarHBondContact O-CA 3.39Å; D385-S407 WeakPolarHBondContact CB-O 3.38Å; D385-S407 PolarHBondContact N-O 2.82Å; D385-S407 PolarHBondContact O-N 2.87Å; D385-S407 PolarHBondContact O-OG 3.37Å
386	R	93.6	Very high	94.8	Very high	136 Å²	136	84.7 Å²	84.7	51%	0.513	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.8	176.2	-172.3	173.9	177.1	-174.2	-0.4	110.5	I384 D389	I384-R386 PolarHBondContact O-N 2.9Å; R386-D389 IonicContact CZ-OD1 3.09Å; R386-D389 IonicContact NE-OD1 3.08Å; R386-D389 PolarHBondContact NE-OD1 2.94Å; R386-D389 VanDerWaalsContact NH2-CG 3.32Å; R386-D389 IonicContact NH2-OD1 3.33Å; R386-D389 PolarHBondContact NH2-OD1 2.83Å; R386-D389 IonicContact NH2-OD2 3.61Å; R386-D389 PolarHBondContact NH2-OD2 2.89Å
387	I	94.1	Very high	94.6	Very high	60 Å²	60	83.9 Å²	83.9	31%	0.308	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	153.5	175.6	-63.5	172.4	0	0	0	108	D389 V405	I387-D389 PolarHBondContact O-N 2.91Å; I387-V405 HydrophobicContact CB-CB 4.05Å; I387-V405 HydrophobicContact CB-CG1 4.01Å; I387-V405 HydrophobicContact CD1-CG1 4Å; I387-V405 HydrophobicContact CG2-CB 4.34Å; I387-V405 HydrophobicContact CG2-CG1 4.25Å; I387-V405 PolarHBondContact N-O 2.8Å
388	P	95.8	Very high	94.4	Very high	109 Å²	109	81.9 Å²	81.9	71%	0.708	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52	134	174.4	-28.9	36.4	0	0	0	112.4
389	D	94.6	Very high	94.1	Very high	74 Å²	74	85.6 Å²	85.6	40%	0.396	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	144.8	178.6	-61.4	-6.3	0	0	0	110.4	R386 I387 V403	R386-D389 IonicContact CZ-OD1 3.09Å; R386-D389 IonicContact NE-OD1 3.08Å; R386-D389 PolarHBondContact NE-OD1 2.94Å; R386-D389 VanDerWaalsContact NH2-CG 3.32Å; R386-D389 IonicContact NH2-OD1 3.33Å; R386-D389 PolarHBondContact NH2-OD1 2.83Å; R386-D389 IonicContact NH2-OD2 3.61Å; R386-D389 PolarHBondContact NH2-OD2 2.89Å; I387-D389 PolarHBondContact O-N 2.91Å; D389-V403 VanDerWaalsContact CA-O 3.32Å; D389-V403 WeakPolarHBondContact CA-O 3.36Å
390	Q	96.2	Very high	94	Very high	95 Å²	95	81 Å²	81	44%	0.444	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	175.1	-177.6	-60.5	179.7	6.7	0	0	110.7	V403 V405	Q390-V403 HydrophobicContact CB-CB 4.21Å; Q390-V403 PolarHBondContact N-O 3.09Å; Q390-V403 PolarHBondContact O-N 2.92Å; Q390-V405 HydrophobicContact CB-CG2 4.49Å; Q390-V405 HydrophobicContact CG-CG2 4.05Å
391	L	96.3	Very high	94.1	Very high	103 Å²	103	78.6 Å²	78.6	54%	0.539	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137	170.5	-69.8	172.1	0	0	0	109.8	Y393 R401	L391-Y393 HydrophobicContact CB-CE2 4.13Å; L391-R401 WeakPolarHBondContact CA-O 3.31Å
392	H	96.5	Very high	94.2	Very high	68 Å²	68	77.3 Å²	77.3	32%	0.315	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.1	172.9	-177.2	-105.3	0	0	0	109.7	I368 R401 V403	I368-H392 HydrophobicContact CD1-CB 4.42Å; I368-H392 HydrophobicContact CG2-CB 4.21Å; H392-R401 HydrophobicContact CB-CB 4.43Å; H392-R401 PolarHBondContact N-O 2.88Å; H392-R401 WeakPolarHBondContact O-CB 3.5Å; H392-R401 PolarHBondContact O-N 3.33Å; H392-V403 HydrophobicContact CB-CG2 3.46Å; H392-V403 VanDerWaalsContact CB-CG2 3.46Å
393	Y	95.9	Very high	94.5	Very high	146 Å²	146	76.4 Å²	76.4	57%	0.573	38%	0.38	S	S	*	.			trans	-120.5	116.4	178.9	-65.4	-85.3	0	0	0	108.5	L391 F399 G400	L391-Y393 HydrophobicContact CB-CE2 4.13Å; Y393-F399 WeakPolarHBondContact CE1-O 3.45Å; Y393-F399 PolarHBondContact OH-O 3.26Å; Y393-G400 VanDerWaalsContact CE1-CA 3.44Å
394	T	93.2	Very high	94.6	Very high	48 Å²	48	71.4 Å²	71.4	29%	0.294	35%	0.347	S	S	.	.			trans	-120.6	-167.4	173.4	-165.3	0	0	0	0	110.5	D397	T394-D397 VanDerWaalsContact CG2-OD2 3.31Å; T394-D397 WeakPolarHBondContact CG2-OD2 2.89Å; T394-D397 PolarHBondContact N-OD2 2.59Å; T394-D397 PolarHBondContact O-N 3.46Å
395	Y	90.6	Very high	94.7	Very high	210 Å²	210	70 Å²	70	82%	0.824	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	138.1	177.7	-60	-81.2	0	0	0	111.8	D397	Y395-D397 PolarHBondContact O-N 3.36Å
396	L	92.4	Very high	94.8	Very high	72 Å²	72	65.4 Å²	65.4	38%	0.377	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	9.5	176.8	-51.4	177.9	0	0	0	116	E433 L436 V437	L396-E433 HydrophobicContact CB-CB 4.23Å; L396-E433 HydrophobicContact CB-CG 4.04Å; L396-E433 HydrophobicContact CD1-CB 4.16Å; L396-L436 HydrophobicContact CB-CD2 4.44Å; L396-L436 HydrophobicContact CD2-CD2 4.24Å; L396-V437 HydrophobicContact CD1-CG2 4.36Å; L396-V437 HydrophobicContact CD2-CG2 3.64Å
397	D	92.1	Very high	95	Very high	23 Å²	23	60.1 Å²	60.1	12%	0.123	30%	0.3	C	S	.	.			trans	-78.9	149.3	171.4	-68.5	-24	0	0	0	111.5	T394 Y395 R401	T394-D397 VanDerWaalsContact CG2-OD2 3.31Å; T394-D397 WeakPolarHBondContact CG2-OD2 2.89Å; T394-D397 PolarHBondContact N-OD2 2.59Å; T394-D397 PolarHBondContact O-N 3.46Å; Y395-D397 PolarHBondContact O-N 3.36Å; D397-R401 IonicContact OD1-NE 3.7Å; D397-R401 PolarHBondContact OD1-NE 3.17Å; D397-R401 WeakPolarHBondContact OD2-CD 3.34Å; D397-R401 IonicContact OD2-NE 3.08Å
398	T	91.3	Very high	95.1	Very high	69 Å²	69	59.2 Å²	59.2	42%	0.423	29%	0.294	S	S	.	.	S	Bend	trans	-119.5	-43.7	-178.7	56.7	0	0	0	0	113.7	E371 Q432 L436	E371-T398 PolarHBondContact OE1-N 2.85Å; E371-T398 PolarHBondContact OE1-OG1 3.49Å; E371-T398 PolarHBondContact OE2-N 2.7Å; E371-T398 PolarHBondContact OE2-OG1 3.39Å; E371-T398 VanDerWaalsContact OE2-OG1 3.12Å; T398-Q432 PolarHBondContact OG1-NE2 2.83Å; T398-L436 HydrophobicContact CG2-CD1 4.07Å; T398-L436 HydrophobicContact CG2-CD2 4.19Å
399	F	91.4	Very high	95.2	Very high	104 Å²	104	58.6 Å²	58.6	46%	0.456	29%	0.285	S	S	.	.	S	Bend	trans	-116.1	-12.3	177.1	47	-93.6	0	0	0	112.9	E371 Y393	E371-F399 HydrophobicContact CB-CE2 4.43Å; E371-F399 HydrophobicContact CG-CD1 4.35Å; E371-F399 HydrophobicContact CG-CD2 3.64Å; E371-F399 HydrophobicContact CG-CE1 3.87Å; E371-F399 HydrophobicContact CG-CE2 3.1Å; E371-F399 HydrophobicContact CG-CG 4.25Å; E371-F399 HydrophobicContact CG-CZ 3.23Å; E371-F399 WeakPolarHBondContact OE1-CA 3.21Å; E371-F399 WeakPolarHBondContact OE1-CD1 3.5Å; E371-F399 WeakPolarHBondContact OE1-CD2 3.49Å; E371-F399 VanDerWaalsContact OE1-CG 3.32Å; E371-F399 WeakPolarHBondContact OE1-CG 3.04Å; E371-F399 PolarHBondContact OE1-N 3.12Å; Y393-F399 WeakPolarHBondContact CE1-O 3.45Å; Y393-F399 PolarHBondContact OH-O 3.26Å
400	G	93.8	Very high	95.3	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.031	27%	0.274	C	S	.	.			trans	104	154.7	169.8	0	0	0	0	0	113.4	E371 Y393	E371-G400 PolarHBondContact OE1-N 2.88Å; Y393-G400 VanDerWaalsContact CE1-CA 3.44Å
401	R	96.5	Very high	95.4	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.038	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.3	-180	-73.8	175.5	162.5	-121.7	-19.3	111.1	E230 V231 I368 L369 E371 L391 H392 D397	E230-R401 IonicContact OE1-CZ 2.88Å; E230-R401 IonicContact OE1-NH1 3.97Å; E230-R401 PolarHBondContact OE1-NH1 3.31Å; V231-R401 PolarHBondContact O-NH1 3.19Å; I368-R401 HydrophobicContact CG2-CB 3.83Å; I368-R401 HydrophobicContact CG2-CG 4.47Å; L369-R401 VanDerWaalsContact O-CB 3.26Å; L369-R401 WeakPolarHBondContact O-CB 3.32Å; L369-R401 WeakPolarHBondContact O-CG 3.45Å; E371-R401 HydrophobicContact CB-CG 4.19Å; L391-R401 WeakPolarHBondContact CA-O 3.31Å; H392-R401 HydrophobicContact CB-CB 4.43Å; H392-R401 PolarHBondContact N-O 2.88Å; H392-R401 WeakPolarHBondContact O-CB 3.5Å; H392-R401 PolarHBondContact O-N 3.33Å; D397-R401 IonicContact OD1-NE 3.7Å; D397-R401 PolarHBondContact OD1-NE 3.17Å; D397-R401 WeakPolarHBondContact OD2-CD 3.34Å; D397-R401 IonicContact OD2-NE 3.08Å
402	P	97.4	Very high	95.5	Very high	21 Å²	21	47.3 Å²	47.3	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.5	174.8	25.7	-27.8	0	0	0	110.7	L369 A373 I376	L369-P402 HydrophobicContact CB-CG 4.13Å; L369-P402 PolarHBondContact N-O 3.49Å; A373-P402 HydrophobicContact CB-CG 4.04Å; I376-P402 HydrophobicContact CD1-CB 4.06Å; I376-P402 HydrophobicContact CD1-CG 4.19Å
403	V	97.9	Very high	95.4	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.5	179.8	-171.4	0	0	0	0	109.7	K366 L367 I368 D389 Q390 H392 V405	K366-V403 HydrophobicContact CB-CG1 4.02Å; L367-V403 WeakPolarHBondContact O-CA 3.33Å; I368-V403 HydrophobicContact CB-CG2 4.49Å; I368-V403 HydrophobicContact CG1-CG1 4.09Å; I368-V403 HydrophobicContact CG1-CG2 4Å; I368-V403 HydrophobicContact CG2-CG2 4.39Å; D389-V403 VanDerWaalsContact CA-O 3.32Å; D389-V403 WeakPolarHBondContact CA-O 3.36Å; Q390-V403 HydrophobicContact CB-CB 4.21Å; Q390-V403 PolarHBondContact N-O 3.09Å; Q390-V403 PolarHBondContact O-N 2.92Å; H392-V403 HydrophobicContact CB-CG2 3.46Å; H392-V403 VanDerWaalsContact CB-CG2 3.46Å; V403-V405 HydrophobicContact CG1-CG2 4.02Å
404	L	96.8	Very high	95.4	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.2	168.3	-172.1	107.7	0	0	0	109.2	K366 L367 I376 V378	K366-L404 CarbonylContact C-O 3.59Å; K366-L404 WeakPolarHBondContact CA-O 3.44Å; L367-L404 HydrophobicContact CB-CB 4.24Å; L367-L404 PolarHBondContact N-O 3.28Å; L367-L404 PolarHBondContact O-N 3.12Å; I376-L404 HydrophobicContact CG2-CD1 4.34Å; V378-L404 HydrophobicContact CG1-CD2 4.4Å; V378-L404 HydrophobicContact CG2-CD1 3.33Å; V378-L404 HydrophobicContact CG2-CD2 3.86Å; V378-L404 HydrophobicContact CG2-CG 4.21Å
405	V	97.5	Very high	95.6	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126	178.3	-170.4	0	0	0	0	109.8	T364 V365 K366 I387 Q390 V403	T364-V405 HydrophobicContact CG2-CG1 4.03Å; V365-V405 WeakPolarHBondContact O-CA 3.11Å; K366-V405 HydrophobicContact CG-CG1 4.38Å; K366-V405 HydrophobicContact CG-CG2 4.35Å; I387-V405 HydrophobicContact CB-CB 4.05Å; I387-V405 HydrophobicContact CB-CG1 4.01Å; I387-V405 HydrophobicContact CD1-CG1 4Å; I387-V405 HydrophobicContact CG2-CB 4.34Å; I387-V405 HydrophobicContact CG2-CG1 4.25Å; I387-V405 PolarHBondContact N-O 2.8Å; Q390-V405 HydrophobicContact CB-CG2 4.49Å; Q390-V405 HydrophobicContact CG-CG2 4.05Å; V403-V405 HydrophobicContact CG1-CG2 4.02Å
406	A	96.4	Very high	95.9	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.9	174.2	0	0	0	0	0	110.8	T364 V365 I384 D385	T364-A406 CarbonylContact C-O 3.59Å; T364-A406 WeakPolarHBondContact CA-O 3.14Å; V365-A406 PolarHBondContact N-O 2.7Å; V365-A406 PolarHBondContact O-N 2.87Å; I384-A406 HydrophobicContact CD1-CB 3.74Å; I384-A406 HydrophobicContact CG1-CB 4.49Å; D385-A406 CarbonylContact O-C 3.55Å; D385-A406 WeakPolarHBondContact O-CA 3.39Å
407	S	97.3	Very high	96.1	Very high	24 Å²	24	32.6 Å²	32.6	17%	0.168	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.9	177.1	56.6	0	0	0	0	111.7	L363 D385	L363-S407 WeakPolarHBondContact O-CA 3.46Å; D385-S407 WeakPolarHBondContact CB-O 3.38Å; D385-S407 PolarHBondContact N-O 2.82Å; D385-S407 PolarHBondContact O-N 2.87Å; D385-S407 PolarHBondContact O-OG 3.37Å
408	K	97.3	Very high	96.3	Very high	42 Å²	42	34.7 Å²	34.7	18%	0.183	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	146.5	170.3	-176.2	164.6	173.8	81.3	0	110	L363 Y382 P383 I384 L411	L363-K408 PolarHBondContact N-O 2.86Å; L363-K408 PolarHBondContact O-N 3.16Å; Y382-K408 HydrophobicContact CD2-CD 3.74Å; Y382-K408 HydrophobicContact CE2-CD 3.5Å; Y382-K408 VanDerWaalsContact CE2-CD 3.5Å; P383-K408 PolarHBondContact O-NZ 2.9Å; I384-K408 HydrophobicContact CG2-CB 4.39Å; I384-K408 HydrophobicContact CG2-CD 3.89Å; K408-L411 HydrophobicContact CB-CD1 4.23Å; K408-L411 HydrophobicContact CB-CD2 4.46Å; K408-L411 HydrophobicContact CD-CD2 3.71Å; K408-L411 HydrophobicContact CD-CG 4.4Å; K408-L411 HydrophobicContact CG-CD1 4.32Å; K408-L411 HydrophobicContact CG-CD2 4Å; K408-L411 HydrophobicContact CG-CG 4.16Å
409	N	97.6	Very high	96.6	Very high	96 Å²	96	31.6 Å²	31.6	51%	0.513	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	159.9	179.3	-59.9	-33.3	0	0	0	111.1	D361	D361-N409 VanDerWaalsContact O-CA 3.24Å; D361-N409 WeakPolarHBondContact O-CA 3.2Å; D361-N409 WeakPolarHBondContact O-CB 3.49Å
410	N	97.2	Very high	96.9	Very high	34 Å²	34	28 Å²	28	18%	0.182	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.3	59.4	172.9	-159.2	25.6	0	0	0	114.3	L76 A77 S131 I360 D361	L76-N410 VanDerWaalsContact C-ND2 3.32Å; L76-N410 PolarHBondContact O-ND2 3.15Å; A77-N410 VanDerWaalsContact CA-ND2 3.31Å; A77-N410 WeakPolarHBondContact CA-ND2 3.48Å; A77-N410 PolarHBondContact N-ND2 3.23Å; S131-N410 WeakPolarHBondContact CB-OD1 3.31Å; S131-N410 PolarHBondContact OG-ND2 2.92Å; S131-N410 PolarHBondContact OG-OD1 2.85Å; I360-N410 CarbonylContact O-C 3.58Å; I360-N410 WeakPolarHBondContact O-CA 3.26Å; I360-N410 PolarHBondContact O-N 3.44Å; D361-N410 PolarHBondContact O-N 3.34Å; D361-N410 VanDerWaalsContact O-N 3.07Å
411	L	98.1	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	151	177.9	-58.2	129.8	0	0	0	111.5	V359 I360 L363 Y382 K408 H415	V359-L411 WeakPolarHBondContact CA-O 3.45Å; I360-L411 HydrophobicContact CB-CB 4.16Å; I360-L411 HydrophobicContact CB-CD1 4.41Å; I360-L411 HydrophobicContact CD1-CB 4.46Å; I360-L411 HydrophobicContact CG2-CD1 4.13Å; I360-L411 PolarHBondContact N-O 3.13Å; I360-L411 PolarHBondContact O-N 2.84Å; L363-L411 HydrophobicContact CB-CD1 3.31Å; L363-L411 HydrophobicContact CD2-CD1 3.62Å; L363-L411 HydrophobicContact CG-CD1 4.11Å; Y382-L411 HydrophobicContact CE2-CD2 4.34Å; K408-L411 HydrophobicContact CB-CD1 4.23Å; K408-L411 HydrophobicContact CB-CD2 4.46Å; K408-L411 HydrophobicContact CD-CD2 3.71Å; K408-L411 HydrophobicContact CD-CG 4.4Å; K408-L411 HydrophobicContact CG-CD1 4.32Å; K408-L411 HydrophobicContact CG-CD2 4Å; K408-L411 HydrophobicContact CG-CG 4.16Å; L411-H415 HydrophobicContact CB-CB 4.33Å; L411-H415 HydrophobicContact CD2-CB 3.58Å
412	V	97.9	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	173.6	175.8	-69.4	0	0	0	0	109.2	L44 A77 V129 Q358 Q414 H415	L44-V412 HydrophobicContact CD1-CG1 4.27Å; A77-V412 HydrophobicContact CB-CG1 3.65Å; A77-V412 HydrophobicContact CB-CG2 4.1Å; V129-V412 HydrophobicContact CB-CG2 4.43Å; V129-V412 HydrophobicContact CG1-CB 4.45Å; V129-V412 HydrophobicContact CG1-CG1 4.04Å; V129-V412 HydrophobicContact CG1-CG2 4.32Å; Q358-V412 WeakPolarHBondContact O-CA 3.45Å; V412-Q414 HydrophobicContact CG2-CB 4.45Å; V412-Q414 PolarHBondContact O-N 3.31Å; V412-Q414 VanDerWaalsContact O-N 3.11Å; V412-H415 WeakPolarHBondContact CG2-ND1 3.26Å; V412-H415 PolarHBondContact N-ND1 3.45Å; V412-H415 VanDerWaalsContact O-CB 3.28Å; V412-H415 WeakPolarHBondContact O-CB 3.49Å; V412-H415 PolarHBondContact O-N 3.1Å; V412-H415 PolarHBondContact O-ND1 2.91Å
413	E	95.9	Very high	97.2	Very high	55 Å²	55	29.7 Å²	29.7	26%	0.257	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-51.7	-34.9	-177.4	-67.6	-177.3	153.6	0	0	114.8	D356 D357 Q358 H415 I416	D356-E413 WeakPolarHBondContact CA-OE1 3.14Å; D357-E413 VanDerWaalsContact N-CD 3.33Å; D357-E413 PolarHBondContact N-OE1 2.97Å; Q358-E413 HydrophobicContact CG-CG 3.87Å; E413-H415 PolarHBondContact O-N 3.28Å; E413-I416 HydrophobicContact CB-CD1 4.42Å; E413-I416 WeakPolarHBondContact O-CB 3.23Å; E413-I416 VanDerWaalsContact O-CG1 3.27Å; E413-I416 WeakPolarHBondContact O-CG1 3.42Å; E413-I416 PolarHBondContact O-N 2.85Å
414	Q	95.3	Very high	97.2	Very high	43 Å²	43	31.1 Å²	31.1	20%	0.201	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.8	-14.3	177.1	-67.1	82	-2.4	0	0	113.5	Y78 E127 V412 Q417	Y78-Q414 HydrophobicContact CD1-CB 4Å; Y78-Q414 HydrophobicContact CD1-CG 3.87Å; Y78-Q414 HydrophobicContact CD2-CB 3.76Å; Y78-Q414 HydrophobicContact CE1-CB 4.09Å; Y78-Q414 HydrophobicContact CE1-CG 3.89Å; Y78-Q414 HydrophobicContact CE2-CB 3.87Å; Y78-Q414 HydrophobicContact CG-CB 3.82Å; Y78-Q414 HydrophobicContact CG-CG 4.19Å; E127-Q414 PolarHBondContact OE1-NE2 3.2Å; V412-Q414 HydrophobicContact CG2-CB 4.45Å; V412-Q414 PolarHBondContact O-N 3.31Å; V412-Q414 VanDerWaalsContact O-N 3.11Å; Q414-Q417 PolarHBondContact O-NE2 2.79Å
415	H	97.1	Very high	97.2	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.065	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-88.6	-1.1	175.7	-64.7	90.6	0	0	0	113.9	A77 V351 Y382 L411 V412 E413 Q417	A77-H415 PolarHBondContact O-CE1 3.4Å; V351-H415 HydrophobicContact CG1-CB 4.25Å; V351-H415 WeakPolarHBondContact CG1-O 3.35Å; Y382-H415 HydrophobicContact CE1-CB 4.01Å; Y382-H415 AromaticContact CE1-CD2 3.98Å; Y382-H415 VanDerWaalsContact CE1-O 3.31Å; Y382-H415 WeakPolarHBondContact CE1-O 3.43Å; Y382-H415 PolarHBondContact OH-O 3.07Å; L411-H415 HydrophobicContact CB-CB 4.33Å; L411-H415 HydrophobicContact CD2-CB 3.58Å; V412-H415 WeakPolarHBondContact CG2-ND1 3.26Å; V412-H415 PolarHBondContact N-ND1 3.45Å; V412-H415 VanDerWaalsContact O-CB 3.28Å; V412-H415 WeakPolarHBondContact O-CB 3.49Å; V412-H415 PolarHBondContact O-N 3.1Å; V412-H415 PolarHBondContact O-ND1 2.91Å; E413-H415 PolarHBondContact O-N 3.28Å; H415-Q417 VanDerWaalsContact C-N 3.3Å; H415-Q417 PolarHBondContact O-N 3.19Å
416	I	97.3	Very high	97	Very high	46 Å²	46	34.4 Å²	34.4	24%	0.236	18%	0.178	C	C	.	.			trans	-70.3	90.6	173.6	-61.2	169.9	0	0	0	108	R349 V351 H353 E413	R349-I416 HydrophobicContact CG-CG2 4.34Å; V351-I416 HydrophobicContact CG1-CG1 4.24Å; H353-I416 HydrophobicContact CB-CD1 4.17Å; E413-I416 HydrophobicContact CB-CD1 4.42Å; E413-I416 WeakPolarHBondContact O-CB 3.23Å; E413-I416 VanDerWaalsContact O-CG1 3.27Å; E413-I416 WeakPolarHBondContact O-CG1 3.42Å; E413-I416 PolarHBondContact O-N 2.85Å
417	Q	96.2	Very high	96.8	Very high	78 Å²	78	39.3 Å²	39.3	36%	0.364	20%	0.198	S	C	.	.			trans	-140.1	158.9	-178.8	-62.7	-173.1	38.1	0	0	109.8	L350 P381 Y382 Q414 H415	L350-Q417 PolarHBondContact N-O 3Å; P381-Q417 HydrophobicContact CB-CB 3.7Å; P381-Q417 HydrophobicContact CG-CB 3.74Å; Y382-Q417 HydrophobicContact CE1-CB 4.13Å; Y382-Q417 HydrophobicContact CE1-CG 4.31Å; Q414-Q417 PolarHBondContact O-NE2 2.79Å; H415-Q417 VanDerWaalsContact C-N 3.3Å; H415-Q417 PolarHBondContact O-N 3.19Å
418	D	97.1	Very high	96.5	Very high	66 Å²	66	44 Å²	44	35%	0.353	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.6	-176	-62.6	-32.7	0	0	0	112.1	K347 M348 R349 P381	K347-D418 WeakPolarHBondContact CE-OD2 3.5Å; K347-D418 HydrophobicContact CG-CB 3.97Å; K347-D418 IonicContact NZ-OD2 2.73Å; M348-D418 CarbonylContact O-C 3.56Å; M348-D418 VanDerWaalsContact O-CA 3.31Å; M348-D418 WeakPolarHBondContact O-CA 3.49Å; R349-D418 WeakPolarHBondContact CG-OD1 3.43Å; R349-D418 PolarHBondContact N-OD1 2.91Å; P381-D418 WeakPolarHBondContact CD-O 3.45Å; P381-D418 WeakPolarHBondContact CG-O 3.15Å
419	I	96.9	Very high	96.3	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.5	163.9	177.4	163	0	0	0	108.7	K347 M348 L350 V378 T380 I384 V421	K347-I419 WeakPolarHBondContact CA-O 3.42Å; M348-I419 PolarHBondContact N-O 3.45Å; M348-I419 WeakPolarHBondContact O-CG2 3.39Å; M348-I419 PolarHBondContact O-N 2.6Å; L350-I419 HydrophobicContact CB-CB 4.29Å; L350-I419 HydrophobicContact CB-CG2 4.08Å; L350-I419 HydrophobicContact CD1-CB 3.98Å; L350-I419 HydrophobicContact CD1-CD1 3.57Å; L350-I419 HydrophobicContact CD1-CG1 4.38Å; L350-I419 HydrophobicContact CD1-CG2 3.89Å; V378-I419 HydrophobicContact CG1-CD1 3.53Å; V378-I419 HydrophobicContact CG1-CG1 3.86Å; T380-I419 HydrophobicContact CG2-CD1 4.4Å; I384-I419 HydrophobicContact CD1-CD1 4.46Å; I419-V421 HydrophobicContact CG1-CG2 4.27Å
420	V	98	Very high	96	Very high	28 Å²	28	41.9 Å²	41.9	17%	0.17	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.8	175.7	-170.3	0	0	0	0	109.9	A345 L346 K347 V378 E379 H422	A345-V420 HydrophobicContact CB-CG1 4.49Å; L346-V420 CarbonylContact O-C 3.52Å; L346-V420 VanDerWaalsContact O-CA 3.26Å; L346-V420 WeakPolarHBondContact O-CA 3.43Å; K347-V420 HydrophobicContact CB-CG2 4.24Å; K347-V420 HydrophobicContact CD-CG2 4.38Å; K347-V420 HydrophobicContact CG-CG2 4.02Å; V378-V420 WeakPolarHBondContact CA-O 3.47Å; E379-V420 HydrophobicContact CB-CB 4.26Å; E379-V420 PolarHBondContact N-O 3.25Å; E379-V420 PolarHBondContact O-N 2.97Å; V420-H422 WeakPolarHBondContact CG1-NE2 3.33Å
421	V	97.8	Very high	95.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.7	177.6	-177.9	0	0	0	0	110	A345 L346 L367 L369 I376 H377 V378 I419 Y423	A345-V421 CarbonylContact C-O 3.58Å; A345-V421 WeakPolarHBondContact CA-O 3.32Å; L346-V421 HydrophobicContact CB-CB 4.48Å; L346-V421 PolarHBondContact N-O 3.4Å; L346-V421 PolarHBondContact O-N 2.67Å; L367-V421 HydrophobicContact CD1-CB 4.25Å; L367-V421 HydrophobicContact CD1-CG2 3.5Å; L369-V421 HydrophobicContact CD1-CG1 4.31Å; I376-V421 HydrophobicContact CG2-CG1 3.94Å; H377-V421 CarbonylContact O-C 3.51Å; H377-V421 WeakPolarHBondContact O-CA 3.47Å; V378-V421 HydrophobicContact CG1-CG2 4.23Å; V378-V421 HydrophobicContact CG2-CG1 4.22Å; V378-V421 HydrophobicContact CG2-CG2 4Å; I419-V421 HydrophobicContact CG1-CG2 4.27Å; V421-Y423 HydrophobicContact CG1-CD1 4.35Å
422	H	98.1	Very high	95.6	Very high	65 Å²	65	47.9 Å²	47.9	30%	0.301	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134.4	174.5	-62.8	-83.1	0	0	0	110.4	Y344 A345 I376 H377 E379 V420	Y344-H422 WeakPolarHBondContact O-CA 3.28Å; A345-H422 WeakPolarHBondContact CB-ND1 3.11Å; I376-H422 CarbonylContact C-O 3.6Å; I376-H422 WeakPolarHBondContact CA-O 3.36Å; H377-H422 HydrophobicContact CB-CB 4.31Å; H377-H422 PolarHBondContact N-O 2.87Å; H377-H422 PolarHBondContact O-N 3.18Å; E379-H422 IonicContact OE1-CD2 3.27Å; E379-H422 IonicContact OE1-NE2 3.63Å; V420-H422 WeakPolarHBondContact CG1-NE2 3.33Å
423	Y	97.9	Very high	95.3	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	163.8	172.4	61.5	-84.6	0	0	0	110.9	H233 L337 Y344 L369 A373 V421 F425	H233-Y423 AromaticContact CE1-CE2 3.82Å; H233-Y423 AromaticContact CE1-CZ 3.73Å; H233-Y423 PolarHBondContact CE1-OH 3.13Å; H233-Y423 AromaticContact NE2-CE2 3.6Å; H233-Y423 AromaticContact NE2-CZ 3.82Å; H233-Y423 PolarHBondContact NE2-OH 3.38Å; H233-Y423 VanDerWaalsContact NE2-OH 3.12Å; L337-Y423 HydrophobicContact CD1-CE1 4.4Å; L337-Y423 VanDerWaalsContact CD1-OH 3.26Å; L337-Y423 WeakPolarHBondContact CD1-OH 3.33Å; Y344-Y423 VanDerWaalsContact CB-CE2 3.48Å; Y344-Y423 WeakPolarHBondContact CB-OH 3.33Å; Y344-Y423 HydrophobicContact CD1-CE2 4.49Å; Y344-Y423 HydrophobicContact CD2-CE2 4.15Å; Y344-Y423 AromaticContact CG-CE2 3.81Å; Y344-Y423 HydrophobicContact CG-CE2 3.81Å; Y344-Y423 AromaticContact CG-CZ 3.94Å; Y344-Y423 PolarHBondContact N-O 3.15Å; Y344-Y423 PolarHBondContact O-N 3.27Å; L369-Y423 HydrophobicContact CD1-CD1 4.17Å; L369-Y423 HydrophobicContact CD1-CG 4.28Å; L369-Y423 HydrophobicContact CD2-CD1 3.75Å; L369-Y423 HydrophobicContact CD2-CE1 3.6Å; L369-Y423 HydrophobicContact CD2-CG 4.4Å; A373-Y423 HydrophobicContact CB-CD2 3.89Å; A373-Y423 HydrophobicContact CB-CG 4.41Å; V421-Y423 HydrophobicContact CG1-CD1 4.35Å; Y423-F425 HydrophobicContact CD2-CB 4.16Å; Y423-F425 HydrophobicContact CE2-CB 4.02Å
424	T	97.7	Very high	95.3	Very high	38 Å²	38	49.3 Å²	49.3	23%	0.233	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.8	174.7	51.5	0	0	0	0	109.9	D342 Q343 R374 N375	D342-T424 WeakPolarHBondContact O-CA 3.38Å; Q343-T424 HydrophobicContact CG-CG2 4.14Å; R374-T424 PolarHBondContact N-O 2.83Å; R374-T424 PolarHBondContact O-N 3.38Å; R374-T424 PolarHBondContact O-OG1 2.85Å; N375-T424 HydrophobicContact CB-CG2 4.49Å; N375-T424 PolarHBondContact ND2-OG1 2.96Å
425	F	96.6	Very high	95.3	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.035	27%	0.269	C	S	.	.			trans	-144.1	127.1	-179.8	175.1	-97.5	0	0	0	110.6	H233 D342 Y344 P370 E371 Y423 K427 L429 M430	H233-F425 AromaticContact CD2-CD1 3.44Å; H233-F425 VanDerWaalsContact CD2-CD1 3.44Å; H233-F425 WeakPolarHBondContact CD2-CD1 3.5Å; H233-F425 AromaticContact CD2-CE1 3.69Å; H233-F425 AromaticContact NE2-CD1 3.87Å; D342-F425 PolarHBondContact O-N 3.32Å; Y344-F425 HydrophobicContact CD2-CB 3.86Å; Y344-F425 HydrophobicContact CE2-CB 3.77Å; Y344-F425 HydrophobicContact CE2-CD1 4.08Å; Y344-F425 HydrophobicContact CE2-CG 4.44Å; P370-F425 HydrophobicContact CB-CE2 4.23Å; E371-F425 WeakPolarHBondContact O-CE2 3.47Å; Y423-F425 HydrophobicContact CD2-CB 4.16Å; Y423-F425 HydrophobicContact CE2-CB 4.02Å; F425-K427 PolarHBondContact O-N 2.94Å; F425-L429 HydrophobicContact CE2-CB 4.34Å; F425-L429 HydrophobicContact CZ-CB 4.35Å; F425-M430 HydrophobicContact CE1-CG 3.59Å; F425-M430 HydrophobicContact CE1-SD 4.02Å; F425-M430 HydrophobicContact CZ-CG 3.53Å; F425-M430 HydrophobicContact CZ-SD 4.49Å
426	N	94.2	Very high	95.2	Very high	72 Å²	72	55.5 Å²	55.5	39%	0.385	29%	0.285	S	S	.	.			trans	-84.7	114	177.1	179.2	-7.7	0	0	0	109.7	I428 L429	N426-I428 PolarHBondContact O-N 3.29Å; N426-I428 WeakPolarHBondContact OD1-CB 3.4Å; N426-I428 PolarHBondContact OD1-N 2.71Å; N426-L429 HydrophobicContact CB-CD1 4.1Å; N426-L429 HydrophobicContact CB-CG 4.23Å; N426-L429 VanDerWaalsContact O-CB 3.31Å; N426-L429 WeakPolarHBondContact O-CB 3.45Å; N426-L429 PolarHBondContact O-N 2.98Å
427	K	90.8	Very high	95.2	Very high	108 Å²	108	56.1 Å²	56.1	47%	0.47	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55	-28.4	-178.9	-68.6	-178.4	-178.9	178.2	0	114.3	Y344 F425 L429 M430	Y344-K427 WeakPolarHBondContact OH-CE 3.42Å; Y344-K427 WeakPolarHBondContact OH-CG 3.42Å; F425-K427 PolarHBondContact O-N 2.94Å; K427-L429 PolarHBondContact O-N 2.84Å; K427-M430 WeakPolarHBondContact O-CB 3.34Å; K427-M430 PolarHBondContact O-N 2.96Å
428	I	92.8	Very high	95.3	Very high	121 Å²	121	56.7 Å²	56.7	62%	0.621	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.6	178.7	-59.8	172.9	0	0	0	111.1	N426 M430 L431	N426-I428 PolarHBondContact O-N 3.29Å; N426-I428 WeakPolarHBondContact OD1-CB 3.4Å; N426-I428 PolarHBondContact OD1-N 2.71Å; I428-M430 PolarHBondContact O-N 3.28Å; I428-L431 WeakPolarHBondContact O-CB 3.3Å; I428-L431 PolarHBondContact O-N 3.22Å; I428-L431 VanDerWaalsContact O-N 3.08Å
429	L	92.3	Very high	95.2	Very high	60 Å²	60	55 Å²	55	31%	0.314	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.4	178.1	-69.3	171.7	0	0	0	112.8	F425 N426 K427 L431 Q432	F425-L429 HydrophobicContact CE2-CB 4.34Å; F425-L429 HydrophobicContact CZ-CB 4.35Å; N426-L429 HydrophobicContact CB-CD1 4.1Å; N426-L429 HydrophobicContact CB-CG 4.23Å; N426-L429 VanDerWaalsContact O-CB 3.31Å; N426-L429 WeakPolarHBondContact O-CB 3.45Å; N426-L429 PolarHBondContact O-N 2.98Å; K427-L429 PolarHBondContact O-N 2.84Å; L429-L431 PolarHBondContact O-N 2.94Å; L429-Q432 WeakPolarHBondContact O-CB 3.42Å; L429-Q432 PolarHBondContact O-N 3.5Å
430	M	91.8	Very high	95.2	Very high	35 Å²	35	57.6 Å²	57.6	17%	0.172	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-61.6	-25.8	174.6	-64.2	-179.4	64.7	0	0	112.9	H233 W234 F425 K427 I428 Q432 P434	H233-M430 HydrophobicContact CB-CE 3.86Å; H233-M430 HydrophobicContact CB-SD 3.74Å; H233-M430 WeakPolarHBondContact O-CE 3.4Å; W234-M430 HydrophobicContact CD2-CE 3.74Å; W234-M430 HydrophobicContact CE3-CE 4.08Å; W234-M430 HydrophobicContact CG-CE 4.06Å; W234-M430 HydrophobicContact CZ2-CB 4.43Å; W234-M430 HydrophobicContact CZ2-CE 4.31Å; F425-M430 HydrophobicContact CE1-CG 3.59Å; F425-M430 HydrophobicContact CE1-SD 4.02Å; F425-M430 HydrophobicContact CZ-CG 3.53Å; F425-M430 HydrophobicContact CZ-SD 4.49Å; K427-M430 WeakPolarHBondContact O-CB 3.34Å; K427-M430 PolarHBondContact O-N 2.96Å; I428-M430 PolarHBondContact O-N 3.28Å; M430-Q432 PolarHBondContact O-N 3.23Å; M430-P434 VanDerWaalsContact O-CD 3.24Å; M430-P434 WeakPolarHBondContact O-CD 3.46Å
431	L	93.4	Very high	95.2	Very high	105 Å²	105	61.9 Å²	61.9	55%	0.55	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-69	-16.9	177.1	-65.3	176.3	0	0	0	112.7	I428 L429 E433 P434 L435	I428-L431 WeakPolarHBondContact O-CB 3.3Å; I428-L431 PolarHBondContact O-N 3.22Å; I428-L431 VanDerWaalsContact O-N 3.08Å; L429-L431 PolarHBondContact O-N 2.94Å; L431-E433 VanDerWaalsContact C-N 3.32Å; L431-E433 PolarHBondContact O-N 2.93Å; L431-P434 WeakPolarHBondContact O-CD 3.44Å; L431-L435 HydrophobicContact CB-CD1 4.43Å; L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 WeakPolarHBondContact O-CD1 3.4Å; L431-L435 WeakPolarHBondContact O-CG 3.32Å; L431-L435 PolarHBondContact O-N 2.9Å; L431-L435 VanDerWaalsContact O-N 3.15Å
432	Q	92.4	Very high	95.2	Very high	54 Å²	54	69 Å²	69	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-41.3	178.3	-171.7	-174.5	-65.3	0	0	111.7	E371 T398 L429 M430 L435 L436	E371-Q432 PolarHBondContact OE2-NE2 3.04Å; T398-Q432 PolarHBondContact OG1-NE2 2.83Å; L429-Q432 WeakPolarHBondContact O-CB 3.42Å; L429-Q432 PolarHBondContact O-N 3.5Å; M430-Q432 PolarHBondContact O-N 3.23Å; Q432-L435 PolarHBondContact O-N 3.27Å; Q432-L436 WeakPolarHBondContact O-CB 3.43Å; Q432-L436 PolarHBondContact O-N 3.47Å
433	E	92.3	Very high	95.2	Very high	30 Å²	30	71 Å²	71	14%	0.14	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-52.5	-177.2	-71.1	174.3	-156.2	0	0	112.1	W234 L396 L431 L435 L436 V437	W234-E433 PolarHBondContact NE1-OE2 3.21Å; L396-E433 HydrophobicContact CB-CB 4.23Å; L396-E433 HydrophobicContact CB-CG 4.04Å; L396-E433 HydrophobicContact CD1-CB 4.16Å; L431-E433 VanDerWaalsContact C-N 3.32Å; L431-E433 PolarHBondContact O-N 2.93Å; E433-L435 PolarHBondContact O-N 3.02Å; E433-L436 WeakPolarHBondContact O-CB 3.43Å; E433-L436 PolarHBondContact O-N 3.23Å; E433-V437 PolarHBondContact O-N 3.45Å
434	P	95.4	Very high	95.2	Very high	56 Å²	56	75.5 Å²	75.5	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-60.9	-39.6	172.2	-24.9	32.8	0	0	0	113.8	W234 M430 L431 L436 V437 V438	W234-P434 HydrophobicContact CH2-CG 3.98Å; W234-P434 HydrophobicContact CZ2-CG 4.15Å; M430-P434 VanDerWaalsContact O-CD 3.24Å; M430-P434 WeakPolarHBondContact O-CD 3.46Å; L431-P434 WeakPolarHBondContact O-CD 3.44Å; P434-L436 VanDerWaalsContact C-N 3.27Å; P434-L436 PolarHBondContact O-N 2.86Å; P434-V437 PolarHBondContact O-N 3.45Å; P434-V438 WeakPolarHBondContact O-CG2 3.14Å; P434-V438 PolarHBondContact O-N 2.84Å
435	L	95.8	Very high	95.2	Very high	112 Å²	112	80 Å²	80	59%	0.586	42%	0.416	S	S	*	.	H	α-helix	trans	-66.2	-30.7	-179.7	-73	174.3	0	0	0	112.2	L431 Q432 E433 V438 G439	L431-L435 HydrophobicContact CB-CD1 4.43Å; L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 WeakPolarHBondContact O-CD1 3.4Å; L431-L435 WeakPolarHBondContact O-CG 3.32Å; L431-L435 PolarHBondContact O-N 2.9Å; L431-L435 VanDerWaalsContact O-N 3.15Å; Q432-L435 PolarHBondContact O-N 3.27Å; E433-L435 PolarHBondContact O-N 3.02Å; L435-V438 PolarHBondContact O-N 3.34Å; L435-G439 PolarHBondContact O-N 3.03Å
436	L	95.1	Very high	95.2	Very high	74 Å²	74	84.2 Å²	84.2	39%	0.387	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-45.1	173.7	-169.4	71.9	0	0	0	110.9	L396 T398 Q432 E433 P434 G439 A440	L396-L436 HydrophobicContact CB-CD2 4.44Å; L396-L436 HydrophobicContact CD2-CD2 4.24Å; T398-L436 HydrophobicContact CG2-CD1 4.07Å; T398-L436 HydrophobicContact CG2-CD2 4.19Å; Q432-L436 WeakPolarHBondContact O-CB 3.43Å; Q432-L436 PolarHBondContact O-N 3.47Å; E433-L436 WeakPolarHBondContact O-CB 3.43Å; E433-L436 PolarHBondContact O-N 3.23Å; P434-L436 VanDerWaalsContact C-N 3.27Å; P434-L436 PolarHBondContact O-N 2.86Å; L436-G439 PolarHBondContact O-N 3.42Å; L436-A440 PolarHBondContact O-N 3.18Å
437	V	96.5	Very high	95.4	Very high	59 Å²	59	84.5 Å²	84.5	36%	0.358	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-46.4	176.4	-179.6	0	0	0	0	110.8	L396 E433 P434 G439 A440 F441	L396-V437 HydrophobicContact CD1-CG2 4.36Å; L396-V437 HydrophobicContact CD2-CG2 3.64Å; E433-V437 PolarHBondContact O-N 3.45Å; P434-V437 PolarHBondContact O-N 3.45Å; V437-G439 VanDerWaalsContact C-N 3.3Å; V437-G439 PolarHBondContact O-N 3.21Å; V437-A440 PolarHBondContact O-N 3.46Å; V437-F441 HydrophobicContact CG1-CD2 3.8Å; V437-F441 HydrophobicContact CG1-CE2 3.68Å; V437-F441 VanDerWaalsContact O-CD2 3.32Å; V437-F441 WeakPolarHBondContact O-CD2 3.24Å; V437-F441 PolarHBondContact O-N 2.97Å; V437-F441 VanDerWaalsContact O-N 3.07Å
438	V	97.7	Very high	95.7	Very high	91 Å²	91	83 Å²	83	55%	0.552	44%	0.438	S	S	*	.	H	α-helix	trans	-58.1	-43.9	175.9	172.2	0	0	0	0	111.1	P434 L435 A440 F441 Y442	P434-V438 WeakPolarHBondContact O-CG2 3.14Å; P434-V438 PolarHBondContact O-N 2.84Å; L435-V438 PolarHBondContact O-N 3.34Å; V438-A440 PolarHBondContact O-N 3.41Å; V438-F441 PolarHBondContact O-N 3.31Å; V438-Y442 VanDerWaalsContact O-CB 3.29Å; V438-Y442 WeakPolarHBondContact O-CB 3.44Å; V438-Y442 PolarHBondContact O-N 2.83Å
439	G	96.7	Very high	95.9	Very high	29 Å²	29	80.9 Å²	80.9	30%	0.299	43%	0.427	S	S	.	.	H	α-helix	trans	-59.2	-44.4	176.5	0	0	0	0	0	112.5	L435 L436 V437 Y442 I443	L435-G439 PolarHBondContact O-N 3.03Å; L436-G439 PolarHBondContact O-N 3.42Å; V437-G439 VanDerWaalsContact C-N 3.3Å; V437-G439 PolarHBondContact O-N 3.21Å; G439-Y442 PolarHBondContact O-N 3.37Å; G439-I443 VanDerWaalsContact O-CG1 3.28Å; G439-I443 WeakPolarHBondContact O-CG1 3.44Å; G439-I443 PolarHBondContact O-N 3.07Å
440	A	96.4	Very high	96.1	Very high	60 Å²	60	81.6 Å²	81.6	50%	0.496	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-46.8	177.3	0	0	0	0	0	112.2	L436 V437 V438 I443 L444	L436-A440 PolarHBondContact O-N 3.18Å; V437-A440 PolarHBondContact O-N 3.46Å; V438-A440 PolarHBondContact O-N 3.41Å; A440-I443 PolarHBondContact O-N 3.47Å; A440-L444 PolarHBondContact O-N 3.02Å
441	F	97.6	Very high	96.3	Very high	118 Å²	118	87.8 Å²	87.8	52%	0.518	45%	0.453	S	S	.	.	H	α-helix	trans	-65.9	-38.8	175.7	-80.3	-73.5	0	0	0	112.5	V437 V438 I443 L444 F445	V437-F441 HydrophobicContact CG1-CD2 3.8Å; V437-F441 HydrophobicContact CG1-CE2 3.68Å; V437-F441 VanDerWaalsContact O-CD2 3.32Å; V437-F441 WeakPolarHBondContact O-CD2 3.24Å; V437-F441 PolarHBondContact O-N 2.97Å; V437-F441 VanDerWaalsContact O-N 3.07Å; V438-F441 PolarHBondContact O-N 3.31Å; F441-I443 VanDerWaalsContact C-N 3.34Å; F441-I443 PolarHBondContact O-N 3.2Å; F441-L444 WeakPolarHBondContact O-CB 3.43Å; F441-L444 PolarHBondContact O-N 3.39Å; F441-F445 WeakPolarHBondContact O-CD2 3.39Å; F441-F445 PolarHBondContact O-N 2.83Å
442	Y	97.9	Very high	96.3	Very high	151 Å²	151	87.7 Å²	87.7	59%	0.592	46%	0.457	S	S	*	.	H	α-helix	trans	-60.3	-44.3	176.7	-178.1	-93.8	0	0	0	111.5	V438 G439 L444 F445 F446	V438-Y442 VanDerWaalsContact O-CB 3.29Å; V438-Y442 WeakPolarHBondContact O-CB 3.44Å; V438-Y442 PolarHBondContact O-N 2.83Å; G439-Y442 PolarHBondContact O-N 3.37Å; Y442-L444 VanDerWaalsContact C-N 3.31Å; Y442-L444 PolarHBondContact O-N 3.35Å; Y442-F445 PolarHBondContact O-N 3.4Å; Y442-F446 HydrophobicContact CE1-CB 4.4Å; Y442-F446 VanDerWaalsContact O-CB 3.23Å; Y442-F446 WeakPolarHBondContact O-CB 3.36Å; Y442-F446 PolarHBondContact O-N 3.22Å
443	I	97.8	Very high	96.4	Very high	107 Å²	107	93.7 Å²	93.7	55%	0.549	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-41.9	176.3	-69.3	164.8	0	0	0	110.9	G439 A440 F441 F446 T447	G439-I443 VanDerWaalsContact O-CG1 3.28Å; G439-I443 WeakPolarHBondContact O-CG1 3.44Å; G439-I443 PolarHBondContact O-N 3.07Å; A440-I443 PolarHBondContact O-N 3.47Å; F441-I443 VanDerWaalsContact C-N 3.34Å; F441-I443 PolarHBondContact O-N 3.2Å; I443-F446 PolarHBondContact O-N 3.47Å; I443-T447 WeakPolarHBondContact O-CB 3.23Å; I443-T447 PolarHBondContact O-N 3.43Å; I443-T447 PolarHBondContact O-OG1 3.15Å
444	L	97.7	Very high	96.4	Very high	98 Å²	98	96 Å²	96	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-59.1	-53.3	176.3	176.8	65	0	0	0	111.4	A440 F441 Y442 F446 T447 V448	A440-L444 PolarHBondContact O-N 3.02Å; F441-L444 WeakPolarHBondContact O-CB 3.43Å; F441-L444 PolarHBondContact O-N 3.39Å; Y442-L444 VanDerWaalsContact C-N 3.31Å; Y442-L444 PolarHBondContact O-N 3.35Å; L444-F446 VanDerWaalsContact C-N 3.34Å; L444-F446 PolarHBondContact O-N 3.4Å; L444-T447 WeakPolarHBondContact O-CB 3.31Å; L444-T447 PolarHBondContact O-N 3.3Å; L444-V448 WeakPolarHBondContact O-CG2 3.46Å; L444-V448 PolarHBondContact O-N 3.45Å
445	F	97.3	Very high	95.8	Very high	132 Å²	132	98.2 Å²	98.2	58%	0.579	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-38.8	179.8	-73.2	-65.6	0	0	0	112.5	F441 Y442 T447 V448 I449	F441-F445 WeakPolarHBondContact O-CD2 3.39Å; F441-F445 PolarHBondContact O-N 2.83Å; Y442-F445 PolarHBondContact O-N 3.4Å; F445-T447 VanDerWaalsContact C-N 3.31Å; F445-T447 PolarHBondContact O-N 3.01Å; F445-V448 PolarHBondContact O-N 3.28Å; F445-I449 WeakPolarHBondContact O-CB 3.45Å; F445-I449 VanDerWaalsContact O-CG1 3.3Å; F445-I449 WeakPolarHBondContact O-CG1 3.26Å; F445-I449 PolarHBondContact O-N 3.02Å
446	F	97.6	Very high	95.5	Very high	97 Å²	97	100.4 Å²	100.4	43%	0.425	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-38.6	176	-169.5	-104.9	0	0	0	111.7	Y442 I443 L444 I449 I450	Y442-F446 HydrophobicContact CE1-CB 4.4Å; Y442-F446 VanDerWaalsContact O-CB 3.23Å; Y442-F446 WeakPolarHBondContact O-CB 3.36Å; Y442-F446 PolarHBondContact O-N 3.22Å; I443-F446 PolarHBondContact O-N 3.47Å; L444-F446 VanDerWaalsContact C-N 3.34Å; L444-F446 PolarHBondContact O-N 3.4Å; F446-I449 WeakPolarHBondContact O-CB 3.44Å; F446-I449 PolarHBondContact O-N 3.32Å; F446-I450 HydrophobicContact CD1-CD1 3.67Å; F446-I450 HydrophobicContact CD1-CG1 4.41Å; F446-I450 HydrophobicContact CE1-CD1 3.37Å; F446-I450 HydrophobicContact CE1-CG1 4.18Å; F446-I450 HydrophobicContact CZ-CD1 4.08Å; F446-I450 WeakPolarHBondContact O-CG1 3.28Å; F446-I450 PolarHBondContact O-N 2.87Å
447	T	97.3	Very high	95.2	Very high	78 Å²	78	99.4 Å²	99.4	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-42.6	174.4	-57.4	0	0	0	0	111.2	I443 L444 F445 I450 Y451	I443-T447 WeakPolarHBondContact O-CB 3.23Å; I443-T447 PolarHBondContact O-N 3.43Å; I443-T447 PolarHBondContact O-OG1 3.15Å; L444-T447 WeakPolarHBondContact O-CB 3.31Å; L444-T447 PolarHBondContact O-N 3.3Å; F445-T447 VanDerWaalsContact C-N 3.31Å; F445-T447 PolarHBondContact O-N 3.01Å; T447-I450 PolarHBondContact O-N 3.19Å; T447-Y451 WeakPolarHBondContact O-CB 3.45Å; T447-Y451 PolarHBondContact O-N 2.87Å
448	V	97.4	Very high	94.6	Very high	76 Å²	76	104.8 Å²	104.8	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-61.5	-45.1	173.8	173.8	0	0	0	0	111.1	L444 F445 I450 Y451 V452	L444-V448 WeakPolarHBondContact O-CG2 3.46Å; L444-V448 PolarHBondContact O-N 3.45Å; F445-V448 PolarHBondContact O-N 3.28Å; V448-I450 VanDerWaalsContact C-N 3.29Å; V448-I450 PolarHBondContact O-N 3.12Å; V448-Y451 PolarHBondContact O-N 3.47Å; V448-Y451 VanDerWaalsContact O-N 3.15Å; V448-V452 HydrophobicContact CG1-CG1 4.3Å; V448-V452 WeakPolarHBondContact O-CG1 3.47Å; V448-V452 WeakPolarHBondContact O-CG2 3.44Å; V448-V452 PolarHBondContact O-N 3.37Å
449	I	96.7	Very high	94.2	Very high	76 Å²	76	106.3 Å²	106.3	39%	0.39	54%	0.538	S	S	.	.	H	α-helix	trans	-56.6	-41.8	176.3	-79	170.8	0	0	0	111.8	F445 F446 V452 R453	F445-I449 WeakPolarHBondContact O-CB 3.45Å; F445-I449 VanDerWaalsContact O-CG1 3.3Å; F445-I449 WeakPolarHBondContact O-CG1 3.26Å; F445-I449 PolarHBondContact O-N 3.02Å; F446-I449 WeakPolarHBondContact O-CB 3.44Å; F446-I449 PolarHBondContact O-N 3.32Å; I449-V452 WeakPolarHBondContact O-CG2 3.17Å; I449-R453 WeakPolarHBondContact O-CG 3.34Å; I449-R453 PolarHBondContact O-NH1 3.31Å
450	I	96.5	Very high	93.6	Very high	76 Å²	76	111.9 Å²	111.9	39%	0.39	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-51.5	174.4	-71.3	169.8	0	0	0	109.4	F446 T447 V448 V452 R453 L454	F446-I450 HydrophobicContact CD1-CD1 3.67Å; F446-I450 HydrophobicContact CD1-CG1 4.41Å; F446-I450 HydrophobicContact CE1-CD1 3.37Å; F446-I450 HydrophobicContact CE1-CG1 4.18Å; F446-I450 HydrophobicContact CZ-CD1 4.08Å; F446-I450 WeakPolarHBondContact O-CG1 3.28Å; F446-I450 PolarHBondContact O-N 2.87Å; T447-I450 PolarHBondContact O-N 3.19Å; V448-I450 VanDerWaalsContact C-N 3.29Å; V448-I450 PolarHBondContact O-N 3.12Å; I450-V452 PolarHBondContact O-N 2.87Å; I450-R453 WeakPolarHBondContact O-CA 3.34Å; I450-R453 WeakPolarHBondContact O-CB 3.36Å; I450-R453 PolarHBondContact O-N 2.85Å; I450-L454 HydrophobicContact CG2-CD1 3.75Å; I450-L454 HydrophobicContact CG2-CG 4.25Å; I450-L454 WeakPolarHBondContact O-CG 3.46Å; I450-L454 PolarHBondContact O-N 2.94Å
451	Y	96.1	Very high	93.2	Very high	164 Å²	164	113.1 Å²	113.1	64%	0.643	55%	0.552	S	S	*	*	H	α-helix	trans	-56.2	-45.5	-175.4	-176.5	-103.5	0	0	0	112.7	T447 V448 R453 L454	T447-Y451 WeakPolarHBondContact O-CB 3.45Å; T447-Y451 PolarHBondContact O-N 2.87Å; V448-Y451 PolarHBondContact O-N 3.47Å; V448-Y451 VanDerWaalsContact O-N 3.15Å; Y451-R453 PolarHBondContact O-N 3.33Å; Y451-L454 PolarHBondContact O-N 3.29Å
452	V	94.8	Very high	92.6	Very high	103 Å²	103	111.9 Å²	111.9	62%	0.624	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-11.5	178.5	-58.3	0	0	0	0	114.2	V448 I449 I450	V448-V452 HydrophobicContact CG1-CG1 4.3Å; V448-V452 WeakPolarHBondContact O-CG1 3.47Å; V448-V452 WeakPolarHBondContact O-CG2 3.44Å; V448-V452 PolarHBondContact O-N 3.37Å; I449-V452 WeakPolarHBondContact O-CG2 3.17Å; I450-V452 PolarHBondContact O-N 2.87Å
453	R	93.3	Very high	91.9	Very high	180 Å²	180	107 Å²	107	68%	0.679	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-8.4	175.6	-73.8	178.9	174.8	74.7	-3.8	113	I449 I450 Y451	I449-R453 WeakPolarHBondContact O-CG 3.34Å; I449-R453 PolarHBondContact O-NH1 3.31Å; I450-R453 WeakPolarHBondContact O-CA 3.34Å; I450-R453 WeakPolarHBondContact O-CB 3.36Å; I450-R453 PolarHBondContact O-N 2.85Å; Y451-R453 PolarHBondContact O-N 3.33Å
454	L	92.3	Very high	91.3	Very high	80 Å²	80	103.3 Å²	103.3	42%	0.419	53%	0.533	S	S	.	.			trans	-93.4	106.1	178	-63.6	174.9	0	0	0	109.1	I450 Y451 F456	I450-L454 HydrophobicContact CG2-CD1 3.75Å; I450-L454 HydrophobicContact CG2-CG 4.25Å; I450-L454 WeakPolarHBondContact O-CG 3.46Å; I450-L454 PolarHBondContact O-N 2.94Å; Y451-L454 PolarHBondContact O-N 3.29Å; L454-F456 VanDerWaalsContact C-N 3.3Å; L454-F456 HydrophobicContact CB-CD1 4.36Å; L454-F456 HydrophobicContact CB-CD2 3.9Å; L454-F456 HydrophobicContact CB-CE1 4.13Å; L454-F456 HydrophobicContact CB-CE2 3.66Å; L454-F456 HydrophobicContact CB-CG 4.26Å; L454-F456 HydrophobicContact CB-CZ 3.8Å; L454-F456 HydrophobicContact CD1-CE1 4.21Å; L454-F456 HydrophobicContact CD1-CE2 3.79Å; L454-F456 HydrophobicContact CD1-CZ 3.44Å; L454-F456 VanDerWaalsContact CD1-CZ 3.44Å; L454-F456 HydrophobicContact CG-CE2 4.35Å; L454-F456 HydrophobicContact CG-CZ 4.13Å; L454-F456 PolarHBondContact O-N 3.06Å
455	D	83.9	Confident	90.7	Very high	102 Å²	102	103 Å²	103	55%	0.545	53%	0.528	S	S	.	.			trans	-62.8	-35.3	-177.9	-172.7	-10.1	0	0	0	111.5	S457 K460	D455-S457 PolarHBondContact O-N 3.49Å; D455-S457 VanDerWaalsContact OD1-CB 3.23Å; D455-S457 WeakPolarHBondContact OD1-CB 3.41Å; D455-S457 PolarHBondContact OD1-OG 3.06Å; D455-S457 PolarHBondContact OD2-OG 3.09Å; D455-K460 VanDerWaalsContact OD2-CE 3.28Å; D455-K460 WeakPolarHBondContact OD2-CE 3.33Å; D455-K460 IonicContact OD2-NZ 2.79Å; D455-K460 PolarHBondContact OD2-NZ 3.42Å
456	F	89.2	Confident	90.3	Very high	157 Å²	157	99.1 Å²	99.1	69%	0.689	52%	0.516	S	S	*	.			trans	41	13.3	-178	-67.2	-40.1	0	0	0	116.5	L454	L454-F456 VanDerWaalsContact C-N 3.3Å; L454-F456 HydrophobicContact CB-CD1 4.36Å; L454-F456 HydrophobicContact CB-CD2 3.9Å; L454-F456 HydrophobicContact CB-CE1 4.13Å; L454-F456 HydrophobicContact CB-CE2 3.66Å; L454-F456 HydrophobicContact CB-CG 4.26Å; L454-F456 HydrophobicContact CB-CZ 3.8Å; L454-F456 HydrophobicContact CD1-CE1 4.21Å; L454-F456 HydrophobicContact CD1-CE2 3.79Å; L454-F456 HydrophobicContact CD1-CZ 3.44Å; L454-F456 VanDerWaalsContact CD1-CZ 3.44Å; L454-F456 HydrophobicContact CG-CE2 4.35Å; L454-F456 HydrophobicContact CG-CZ 4.13Å; L454-F456 PolarHBondContact O-N 3.06Å
457	S	88.2	Confident	89.8	Confident	53 Å²	53	101.9 Å²	101.9	37%	0.371	52%	0.523	S	S	.	.			trans	-78.9	132.9	-179.2	61.5	0	0	0	0	110.4	D455	D455-S457 PolarHBondContact O-N 3.49Å; D455-S457 VanDerWaalsContact OD1-CB 3.23Å; D455-S457 WeakPolarHBondContact OD1-CB 3.41Å; D455-S457 PolarHBondContact OD1-OG 3.06Å; D455-S457 PolarHBondContact OD2-OG 3.09Å
458	I	85.2	Confident	89.3	Confident	173 Å²	173	105.1 Å²	105.1	89%	0.887	54%	0.535	S	S	*	.	S	Bend	trans	-81.7	-36.9	177	-59.5	174	0	0	0	109.9
459	T	89	Confident	88.9	Confident	123 Å²	123	105.5 Å²	105.5	76%	0.755	53%	0.53	S	S	*	.	S	Bend	trans	-133.1	128.6	175.9	53.7	0	0	0	0	109.5
460	K	84.3	Confident	88.7	Confident	145 Å²	145	102.8 Å²	102.8	63%	0.63	52%	0.517	S	S	*	.			trans	-81.9	133.6	178.1	-64.4	-169.6	172.1	-162.6	0	110.9	D455 P462	D455-K460 VanDerWaalsContact OD2-CE 3.28Å; D455-K460 WeakPolarHBondContact OD2-CE 3.33Å; D455-K460 IonicContact OD2-NZ 2.79Å; D455-K460 PolarHBondContact OD2-NZ 3.42Å; K460-P462 VanDerWaalsContact O-CD 3.26Å; K460-P462 WeakPolarHBondContact O-CD 3.42Å
461	D	87.6	Confident	88.4	Confident	87 Å²	87	102 Å²	102	47%	0.465	52%	0.521	S	S	.	.			trans	-90.3	104	171.1	176.8	8.8	0	0	0	109.7	A463 A464 E465 R467	D461-A463 PolarHBondContact O-N 2.88Å; D461-A463 WeakPolarHBondContact OD1-CB 3Å; D461-A463 PolarHBondContact OD1-N 3.18Å; D461-A464 HydrophobicContact CB-CB 4Å; D461-A464 PolarHBondContact O-N 3.08Å; D461-A464 WeakPolarHBondContact OD2-CB 3.41Å; D461-A464 PolarHBondContact OD2-N 2.89Å; D461-E465 PolarHBondContact O-N 3.21Å; D461-R467 IonicContact OD2-NH2 3.34Å
462	P	83.9	Confident	88.2	Confident	92 Å²	92	96.8 Å²	96.8	60%	0.597	51%	0.509	S	S	*	.	H	α-helix	trans	-63.6	-28.1	-179.2	26.5	-34.1	0	0	0	112.6	K460 E465 V466	K460-P462 VanDerWaalsContact O-CD 3.26Å; K460-P462 WeakPolarHBondContact O-CD 3.42Å; P462-E465 PolarHBondContact O-N 3.25Å; P462-V466 WeakPolarHBondContact O-CG2 3.43Å; P462-V466 PolarHBondContact O-N 3.18Å; P462-V466 VanDerWaalsContact O-N 3.09Å
463	A	84.5	Confident	88.1	Confident	48 Å²	48	92 Å²	92	40%	0.397	48%	0.48	S	S	.	.	H	α-helix	trans	-71	-36.6	178.6	0	0	0	0	0	111.6	D461 R467	D461-A463 PolarHBondContact O-N 2.88Å; D461-A463 WeakPolarHBondContact OD1-CB 3Å; D461-A463 PolarHBondContact OD1-N 3.18Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 3.22Å
464	A	84.8	Confident	88	Confident	30 Å²	30	84 Å²	84	25%	0.248	45%	0.451	C	S	.	.	H	α-helix	trans	-65.8	-40.9	172.7	0	0	0	0	0	112.2	D461 R467 M468	D461-A464 HydrophobicContact CB-CB 4Å; D461-A464 PolarHBondContact O-N 3.08Å; D461-A464 WeakPolarHBondContact OD2-CB 3.41Å; D461-A464 PolarHBondContact OD2-N 2.89Å; A464-R467 WeakPolarHBondContact O-CB 3.5Å; A464-R467 PolarHBondContact O-N 3.05Å; A464-M468 WeakPolarHBondContact O-CG 3.45Å; A464-M468 PolarHBondContact O-N 3.47Å
465	E	85.8	Confident	88.1	Confident	90 Å²	90	86.7 Å²	86.7	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-63.4	-42.7	178.3	-166.5	-173.8	148.7	0	0	112	D461 P462 R467 M468 K469	D461-E465 PolarHBondContact O-N 3.21Å; P462-E465 PolarHBondContact O-N 3.25Å; E465-R467 PolarHBondContact O-N 3.37Å; E465-M468 PolarHBondContact O-N 3Å; E465-K469 WeakPolarHBondContact O-CG 3.45Å; E465-K469 PolarHBondContact O-N 3.48Å; E465-K469 WeakPolarHBondContact OE1-CE 3.49Å; E465-K469 IonicContact OE1-NZ 3.55Å; E465-K469 PolarHBondContact OE1-NZ 2.88Å
466	V	87.3	Confident	88.6	Confident	52 Å²	52	85.6 Å²	85.6	32%	0.315	45%	0.453	S	S	.	.	H	α-helix	trans	-60.9	-43.7	174.7	172.5	0	0	0	0	110.7	P462 M468 K469 V470 E535	P462-V466 WeakPolarHBondContact O-CG2 3.43Å; P462-V466 PolarHBondContact O-N 3.18Å; P462-V466 VanDerWaalsContact O-N 3.09Å; V466-M468 VanDerWaalsContact C-N 3.32Å; V466-M468 PolarHBondContact O-N 2.72Å; V466-K469 PolarHBondContact O-N 3.02Å; V466-V470 HydrophobicContact CG1-CG2 4.3Å; V466-V470 VanDerWaalsContact O-CG2 3.31Å; V466-V470 WeakPolarHBondContact O-CG2 3.4Å; V466-V470 PolarHBondContact O-N 3.26Å; V466-E535 HydrophobicContact CG1-CB 4.45Å
467	R	87.8	Confident	88.8	Confident	155 Å²	155	78.1 Å²	78.1	59%	0.585	42%	0.42	S	S	*	.	H	α-helix	trans	-58.1	-42	174.9	-72.8	-171.3	-61.8	-96.9	1.3	112.4	D461 A463 A464 E465 V470 A471	D461-R467 IonicContact OD2-NH2 3.34Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 3.22Å; A464-R467 WeakPolarHBondContact O-CB 3.5Å; A464-R467 PolarHBondContact O-N 3.05Å; E465-R467 PolarHBondContact O-N 3.37Å; R467-V470 PolarHBondContact O-N 2.97Å; R467-A471 WeakPolarHBondContact O-CB 3.16Å; R467-A471 PolarHBondContact O-N 2.97Å
468	M	87.8	Confident	89.1	Confident	145 Å²	145	78.7 Å²	78.7	71%	0.714	42%	0.419	S	S	*	.	H	α-helix	trans	-66.6	-40.9	177.7	-66.8	-179.4	82.3	0	0	112.4	A464 E465 V466 A471 S472	A464-M468 WeakPolarHBondContact O-CG 3.45Å; A464-M468 PolarHBondContact O-N 3.47Å; E465-M468 PolarHBondContact O-N 3Å; V466-M468 VanDerWaalsContact C-N 3.32Å; V466-M468 PolarHBondContact O-N 2.72Å; M468-A471 PolarHBondContact O-N 3.24Å; M468-S472 PolarHBondContact O-N 3.44Å
469	K	89.1	Confident	89.5	Confident	85 Å²	85	74.7 Å²	74.7	37%	0.37	40%	0.403	S	S	.	.	H	α-helix	trans	-62.5	-45.8	175	-73	174.6	-175	164	0	111.5	E465 V466 S472 I473	E465-K469 WeakPolarHBondContact O-CG 3.45Å; E465-K469 PolarHBondContact O-N 3.48Å; E465-K469 WeakPolarHBondContact OE1-CE 3.49Å; E465-K469 IonicContact OE1-NZ 3.55Å; E465-K469 PolarHBondContact OE1-NZ 2.88Å; V466-K469 PolarHBondContact O-N 3.02Å; K469-S472 PolarHBondContact O-N 2.91Å; K469-I473 WeakPolarHBondContact O-CD1 3.47Å; K469-I473 VanDerWaalsContact O-CG1 3.26Å; K469-I473 WeakPolarHBondContact O-CG1 3.31Å; K469-I473 PolarHBondContact O-N 3.04Å
470	V	91	Very high	89.8	Confident	19 Å²	19	70.4 Å²	70.4	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-48.9	176.6	170.5	0	0	0	0	110.3	V466 R467 S472 I473 T474 L532 E535 L539	V466-V470 HydrophobicContact CG1-CG2 4.3Å; V466-V470 VanDerWaalsContact O-CG2 3.31Å; V466-V470 WeakPolarHBondContact O-CG2 3.4Å; V466-V470 PolarHBondContact O-N 3.26Å; R467-V470 PolarHBondContact O-N 2.97Å; V470-S472 PolarHBondContact O-N 3.2Å; V470-I473 PolarHBondContact O-N 3.02Å; V470-T474 WeakPolarHBondContact O-CB 3.26Å; V470-T474 PolarHBondContact O-N 3.38Å; V470-T474 PolarHBondContact O-OG1 2.99Å; V470-L532 HydrophobicContact CB-CD2 4.48Å; V470-L532 HydrophobicContact CG1-CD2 4.02Å; V470-L532 HydrophobicContact CG2-CD2 4.5Å; V470-E535 HydrophobicContact CG2-CB 4Å; V470-L539 HydrophobicContact CG1-CD1 3.81Å
471	A	90.1	Very high	90.2	Very high	58 Å²	58	63.5 Å²	63.5	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-45.3	177.4	0	0	0	0	0	112.8	R467 M468 I473 T474 E475	R467-A471 WeakPolarHBondContact O-CB 3.16Å; R467-A471 PolarHBondContact O-N 2.97Å; M468-A471 PolarHBondContact O-N 3.24Å; A471-I473 PolarHBondContact O-N 3.34Å; A471-T474 PolarHBondContact O-N 2.98Å; A471-E475 PolarHBondContact O-N 3.31Å
472	S	92.5	Very high	90.5	Very high	55 Å²	55	63.4 Å²	63.4	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-39.2	177.7	-178	0	0	0	0	113	M468 K469 V470 Q476	M468-S472 PolarHBondContact O-N 3.44Å; K469-S472 PolarHBondContact O-N 2.91Å; V470-S472 PolarHBondContact O-N 3.2Å; S472-Q476 WeakPolarHBondContact O-CG 3.33Å; S472-Q476 PolarHBondContact O-N 3.47Å; S472-Q476 PolarHBondContact O-NE2 2.83Å
473	I	92.6	Very high	90.9	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-68.7	-41.7	176.7	-64.8	162.9	0	0	0	110.2	K469 V470 A471 E475 Q476 V477 L528 R531 L532 E535	K469-I473 WeakPolarHBondContact O-CD1 3.47Å; K469-I473 VanDerWaalsContact O-CG1 3.26Å; K469-I473 WeakPolarHBondContact O-CG1 3.31Å; K469-I473 PolarHBondContact O-N 3.04Å; V470-I473 PolarHBondContact O-N 3.02Å; A471-I473 PolarHBondContact O-N 3.34Å; I473-E475 PolarHBondContact O-N 3.21Å; I473-Q476 WeakPolarHBondContact O-CB 3.4Å; I473-Q476 PolarHBondContact O-N 3.35Å; I473-V477 WeakPolarHBondContact O-CG2 3.35Å; I473-V477 PolarHBondContact O-N 2.76Å; I473-L528 HydrophobicContact CG2-CB 3.96Å; I473-L528 HydrophobicContact CG2-CD2 4.17Å; I473-R531 HydrophobicContact CD1-CB 4.01Å; I473-L532 HydrophobicContact CB-CD2 3.87Å; I473-L532 HydrophobicContact CB-CG 4.31Å; I473-L532 HydrophobicContact CD1-CD2 4.43Å; I473-L532 HydrophobicContact CG2-CD1 4.16Å; I473-L532 HydrophobicContact CG2-CD2 3.69Å; I473-L532 HydrophobicContact CG2-CG 3.57Å; I473-E535 HydrophobicContact CD1-CG 4.39Å
474	T	92	Very high	91.3	Very high	13 Å²	13	63.1 Å²	63.1	8%	0.08	33%	0.325	C	S	.	.	H	α-helix	trans	-61	-43.3	177.4	-62.1	0	0	0	0	112.2	V470 A471 Q476 V477 L478 L539 L602	V470-T474 WeakPolarHBondContact O-CB 3.26Å; V470-T474 PolarHBondContact O-N 3.38Å; V470-T474 PolarHBondContact O-OG1 2.99Å; A471-T474 PolarHBondContact O-N 2.98Å; T474-Q476 VanDerWaalsContact C-N 3.31Å; T474-Q476 PolarHBondContact O-N 3.34Å; T474-V477 WeakPolarHBondContact O-CB 3.46Å; T474-V477 PolarHBondContact O-N 3.09Å; T474-V477 VanDerWaalsContact O-N 3.13Å; T474-L478 PolarHBondContact O-N 3.48Å; T474-L539 HydrophobicContact CG2-CD1 4.48Å; T474-L539 WeakPolarHBondContact OG1-CD1 3.5Å; T474-L602 HydrophobicContact CG2-CB 3.71Å
475	E	93.4	Very high	91.6	Very high	136 Å²	136	62.2 Å²	62.2	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-61.5	-39.2	176.5	-171.6	-179.8	-177.7	0	0	112.2	A471 I473 L478 T479	A471-E475 PolarHBondContact O-N 3.31Å; I473-E475 PolarHBondContact O-N 3.21Å; E475-L478 PolarHBondContact O-N 2.92Å; E475-T479 PolarHBondContact O-N 3.03Å; E475-T479 PolarHBondContact O-OG1 3.14Å
476	Q	94	Very high	91.9	Very high	79 Å²	79	59.5 Å²	59.5	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-42.9	173.4	-70.2	170.8	46.7	0	0	111.4	S472 I473 T474 T479 L480 L528	S472-Q476 WeakPolarHBondContact O-CG 3.33Å; S472-Q476 PolarHBondContact O-N 3.47Å; S472-Q476 PolarHBondContact O-NE2 2.83Å; I473-Q476 WeakPolarHBondContact O-CB 3.4Å; I473-Q476 PolarHBondContact O-N 3.35Å; T474-Q476 VanDerWaalsContact C-N 3.31Å; T474-Q476 PolarHBondContact O-N 3.34Å; Q476-T479 PolarHBondContact O-N 3.15Å; Q476-L480 WeakPolarHBondContact O-CG 3.44Å; Q476-L480 PolarHBondContact O-N 3.39Å; Q476-L528 HydrophobicContact CB-CD1 3.69Å; Q476-L528 HydrophobicContact CB-CD2 4.5Å
477	V	94.1	Very high	92.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-47.8	175.6	171.7	0	0	0	0	110.8	I473 T474 T479 L480 V481 I525 L528 V543	I473-V477 WeakPolarHBondContact O-CG2 3.35Å; I473-V477 PolarHBondContact O-N 2.76Å; T474-V477 WeakPolarHBondContact O-CB 3.46Å; T474-V477 PolarHBondContact O-N 3.09Å; T474-V477 VanDerWaalsContact O-N 3.13Å; V477-T479 VanDerWaalsContact C-N 3.29Å; V477-T479 PolarHBondContact O-N 3.5Å; V477-L480 PolarHBondContact O-N 3.03Å; V477-L480 VanDerWaalsContact O-N 3.16Å; V477-V481 HydrophobicContact CG1-CG2 4.06Å; V477-V481 WeakPolarHBondContact O-CG2 3.43Å; V477-V481 PolarHBondContact O-N 3.06Å; V477-I525 HydrophobicContact CG1-CG2 4.23Å; V477-L528 HydrophobicContact CG2-CB 3.63Å; V477-L528 HydrophobicContact CG2-CD1 3.74Å; V477-L528 HydrophobicContact CG2-CG 4.35Å; V477-V543 HydrophobicContact CG1-CG1 3.99Å; V477-V543 HydrophobicContact CG1-CG2 3.84Å; V477-V543 HydrophobicContact CG2-CG2 4.46Å
478	L	93.7	Very high	92.3	Very high	66 Å²	66	51.1 Å²	51.1	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-56.9	-44.8	178.5	-178	63.5	0	0	0	111.3	T474 E475 L480 V481 N482 L599	T474-L478 PolarHBondContact O-N 3.48Å; E475-L478 PolarHBondContact O-N 2.92Å; L478-L480 PolarHBondContact O-N 3.28Å; L478-V481 PolarHBondContact O-N 3.14Å; L478-N482 WeakPolarHBondContact O-CB 3.39Å; L478-N482 PolarHBondContact O-N 3.33Å; L478-N482 PolarHBondContact O-ND2 3.04Å; L478-L599 HydrophobicContact CD1-CB 4Å; L478-L599 HydrophobicContact CD1-CD1 3.97Å; L478-L599 HydrophobicContact CD1-CD2 3.92Å; L478-L599 HydrophobicContact CD1-CG 4.17Å
479	T	94.8	Very high	92.4	Very high	89 Å²	89	52.4 Å²	52.4	55%	0.546	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-45.1	177	-59.1	0	0	0	0	111.9	E475 Q476 V477 K483	E475-T479 PolarHBondContact O-N 3.03Å; E475-T479 PolarHBondContact O-OG1 3.14Å; Q476-T479 PolarHBondContact O-N 3.15Å; V477-T479 VanDerWaalsContact C-N 3.29Å; V477-T479 PolarHBondContact O-N 3.5Å; T479-K483 WeakPolarHBondContact O-CB 3.47Å; T479-K483 PolarHBondContact O-N 3.25Å
480	L	95.3	Very high	92.5	Very high	33 Å²	33	52.6 Å²	52.6	17%	0.173	28%	0.275	C	S	.	.	H	α-helix	trans	-70.6	-38	-180	-66.6	178.3	0	0	0	112.7	Q476 V477 L478 K483 R484 L521 D524 I525 L528	Q476-L480 WeakPolarHBondContact O-CG 3.44Å; Q476-L480 PolarHBondContact O-N 3.39Å; V477-L480 PolarHBondContact O-N 3.03Å; V477-L480 VanDerWaalsContact O-N 3.16Å; L478-L480 PolarHBondContact O-N 3.28Å; L480-K483 PolarHBondContact O-N 3.05Å; L480-R484 WeakPolarHBondContact O-CB 3.47Å; L480-R484 PolarHBondContact O-N 3.17Å; L480-L521 HydrophobicContact CD2-CD2 3.75Å; L480-D524 HydrophobicContact CD1-CB 3.74Å; L480-I525 HydrophobicContact CB-CD1 3.97Å; L480-I525 HydrophobicContact CB-CG1 3.65Å; L480-I525 HydrophobicContact CD1-CG1 3.94Å; L480-I525 HydrophobicContact CG-CG1 4.48Å; L480-L528 HydrophobicContact CD1-CD1 3.68Å
481	V	93.4	Very high	92.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-43.3	176	175.8	0	0	0	0	110.5	V477 L478 K483 R484 L485 I525 V546 I595 L599	V477-V481 HydrophobicContact CG1-CG2 4.06Å; V477-V481 WeakPolarHBondContact O-CG2 3.43Å; V477-V481 PolarHBondContact O-N 3.06Å; L478-V481 PolarHBondContact O-N 3.14Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 3.08Å; V481-R484 WeakPolarHBondContact O-CB 3.47Å; V481-R484 PolarHBondContact O-N 3.27Å; V481-R484 VanDerWaalsContact O-N 3.11Å; V481-L485 HydrophobicContact CG1-CD1 4.48Å; V481-L485 PolarHBondContact O-N 3.38Å; V481-I525 HydrophobicContact CG2-CD1 3.88Å; V481-V546 HydrophobicContact CG1-CG1 3.94Å; V481-V546 HydrophobicContact CG2-CG1 3.86Å; V481-I595 HydrophobicContact CG1-CG2 4.03Å; V481-L599 HydrophobicContact CB-CD1 4.49Å; V481-L599 HydrophobicContact CB-CD2 4.23Å; V481-L599 HydrophobicContact CG1-CD1 3.81Å; V481-L599 HydrophobicContact CG1-CD2 4.07Å; V481-L599 HydrophobicContact CG1-CG 4.43Å; V481-L599 HydrophobicContact CG2-CD2 4.36Å
482	N	92	Very high	92.5	Very high	84 Å²	84	50.9 Å²	50.9	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-42.2	174.7	-80.3	-35.3	0	0	0	112.1	L478 R484 L485 G486	L478-N482 WeakPolarHBondContact O-CB 3.39Å; L478-N482 PolarHBondContact O-N 3.33Å; L478-N482 PolarHBondContact O-ND2 3.04Å; N482-R484 VanDerWaalsContact C-N 3.28Å; N482-R484 PolarHBondContact O-N 2.91Å; N482-L485 PolarHBondContact O-N 3.43Å; N482-G486 PolarHBondContact O-N 3.39Å
483	K	94	Very high	92.4	Very high	133 Å²	133	53 Å²	53	58%	0.578	26%	0.261	S	S	*	.	H	α-helix	trans	-59.4	-40.6	173.8	-172.3	172.5	174.5	-176.3	0	111.6	T479 L480 V481 G486 L487 L521	T479-K483 WeakPolarHBondContact O-CB 3.47Å; T479-K483 PolarHBondContact O-N 3.25Å; L480-K483 PolarHBondContact O-N 3.05Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 3.08Å; K483-G486 PolarHBondContact O-N 3.16Å; K483-L487 PolarHBondContact O-N 2.96Å; K483-L521 HydrophobicContact CB-CD1 4.37Å; K483-L521 HydrophobicContact CD-CD1 4.49Å; K483-L521 HydrophobicContact CD-CD2 3.99Å; K483-L521 HydrophobicContact CG-CD1 4.12Å; K483-L521 HydrophobicContact CG-CD2 4.42Å
484	R	92.6	Very high	92.4	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-42.9	177.9	-168.3	171.8	61.5	169.3	1.4	112.7	L480 V481 N482 G486 L487 Y488 L521 D550	L480-R484 WeakPolarHBondContact O-CB 3.47Å; L480-R484 PolarHBondContact O-N 3.17Å; V481-R484 WeakPolarHBondContact O-CB 3.47Å; V481-R484 PolarHBondContact O-N 3.27Å; V481-R484 VanDerWaalsContact O-N 3.11Å; N482-R484 VanDerWaalsContact C-N 3.28Å; N482-R484 PolarHBondContact O-N 2.91Å; R484-G486 VanDerWaalsContact C-N 3.26Å; R484-G486 PolarHBondContact O-N 2.97Å; R484-L487 WeakPolarHBondContact O-CB 3.38Å; R484-L487 PolarHBondContact O-N 3.26Å; R484-L487 VanDerWaalsContact O-N 3.12Å; R484-Y488 HydrophobicContact CG-CE2 4.48Å; R484-L521 HydrophobicContact CB-CD1 3.89Å; R484-L521 HydrophobicContact CG-CD1 4.39Å; R484-D550 VanDerWaalsContact CD-CG 3.46Å; R484-D550 WeakPolarHBondContact CD-OD1 3.44Å; R484-D550 WeakPolarHBondContact CD-OD2 3.39Å; R484-D550 WeakPolarHBondContact CG-OD1 3.34Å; R484-D550 IonicContact CZ-OD1 3.15Å; R484-D550 IonicContact CZ-OD2 3.21Å; R484-D550 IonicContact NE-OD1 3.42Å; R484-D550 PolarHBondContact NE-OD1 3.49Å; R484-D550 IonicContact NE-OD2 3.14Å; R484-D550 PolarHBondContact NE-OD2 3.34Å; R484-D550 VanDerWaalsContact NE-OD2 3.08Å; R484-D550 IonicContact NH1-OD2 3.98Å; R484-D550 PolarHBondContact NH1-OD2 3.28Å; R484-D550 VanDerWaalsContact NH1-OD2 3.08Å; R484-D550 VanDerWaalsContact NH2-CG 3.31Å; R484-D550 IonicContact NH2-OD1 2.78Å; R484-D550 IonicContact NH2-OD2 3.64Å
485	L	90.5	Very high	92.3	Very high	11 Å²	11	53.1 Å²	53.1	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-35.9	172.6	-68.2	176.7	0	0	0	111.8	V481 N482 L487 Y488 R489 V592 I595	V481-L485 HydrophobicContact CG1-CD1 4.48Å; V481-L485 PolarHBondContact O-N 3.38Å; N482-L485 PolarHBondContact O-N 3.43Å; L485-L487 VanDerWaalsContact C-N 3.32Å; L485-L487 PolarHBondContact O-N 3.21Å; L485-Y488 HydrophobicContact CD2-CD2 4.22Å; L485-Y488 HydrophobicContact CD2-CE2 4.27Å; L485-Y488 PolarHBondContact O-N 3.13Å; L485-R489 PolarHBondContact O-N 2.91Å; L485-V592 HydrophobicContact CD2-CG1 4.43Å; L485-V592 HydrophobicContact CD2-CG2 4.11Å; L485-I595 HydrophobicContact CD1-CG2 4.4Å; L485-I595 HydrophobicContact CD2-CD1 4.47Å
486	G	91.7	Very high	92.2	Very high	33 Å²	33	50.2 Å²	50.2	34%	0.34	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-36.4	172.6	0	0	0	0	0	113.8	N482 K483 R484 Y488 R489 H490	N482-G486 PolarHBondContact O-N 3.39Å; K483-G486 PolarHBondContact O-N 3.16Å; R484-G486 VanDerWaalsContact C-N 3.26Å; R484-G486 PolarHBondContact O-N 2.97Å; G486-Y488 VanDerWaalsContact C-N 3.29Å; G486-Y488 PolarHBondContact O-N 3.25Å; G486-R489 PolarHBondContact O-N 3.17Å; G486-H490 PolarHBondContact O-N 3.31Å
487	L	92.9	Very high	92	Very high	24 Å²	24	53 Å²	53	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-37.4	177.1	-62.3	176.7	0	0	0	112.2	K483 R484 L485 H490 M491 L514 D517 L521	K483-L487 PolarHBondContact O-N 2.96Å; R484-L487 WeakPolarHBondContact O-CB 3.38Å; R484-L487 PolarHBondContact O-N 3.26Å; R484-L487 VanDerWaalsContact O-N 3.12Å; L485-L487 VanDerWaalsContact C-N 3.32Å; L485-L487 PolarHBondContact O-N 3.21Å; L487-H490 PolarHBondContact O-N 3.43Å; L487-M491 WeakPolarHBondContact O-CG 3.47Å; L487-M491 PolarHBondContact O-N 2.87Å; L487-L514 HydrophobicContact CB-CD1 3.66Å; L487-D517 HydrophobicContact CD1-CB 3.64Å; L487-D517 HydrophobicContact CD2-CB 4.03Å; L487-L521 HydrophobicContact CD1-CD1 3.71Å; L487-L521 HydrophobicContact CG-CD1 4.46Å
488	Y	91.9	Very high	91.9	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-38.3	179.1	-55.9	-44.1	0	0	0	112.4	R484 L485 G486 H490 M491 D492 L514 H518 D550 V553 K554 V557	R484-Y488 HydrophobicContact CG-CE2 4.48Å; L485-Y488 HydrophobicContact CD2-CD2 4.22Å; L485-Y488 HydrophobicContact CD2-CE2 4.27Å; L485-Y488 PolarHBondContact O-N 3.13Å; G486-Y488 VanDerWaalsContact C-N 3.29Å; G486-Y488 PolarHBondContact O-N 3.25Å; Y488-H490 VanDerWaalsContact C-N 3.35Å; Y488-M491 PolarHBondContact O-N 3.36Å; Y488-D492 PolarHBondContact O-N 3.42Å; Y488-L514 HydrophobicContact CD1-CD1 4.02Å; Y488-L514 HydrophobicContact CE1-CD1 4.2Å; Y488-H518 PolarHBondContact OH-CD2 3.4Å; Y488-H518 PolarHBondContact OH-NE2 3.02Å; Y488-H518 VanDerWaalsContact OH-NE2 3.14Å; Y488-D550 WeakPolarHBondContact CE2-OD1 3.37Å; Y488-D550 PolarHBondContact OH-O 2.88Å; Y488-D550 PolarHBondContact OH-OD1 2.96Å; Y488-D550 PolarHBondContact OH-OD2 2.89Å; Y488-V553 HydrophobicContact CD2-CG1 3.4Å; Y488-V553 HydrophobicContact CE2-CB 4.06Å; Y488-V553 HydrophobicContact CE2-CG1 3.37Å; Y488-V553 HydrophobicContact CG-CG1 4.02Å; Y488-K554 HydrophobicContact CE1-CB 3.96Å; Y488-K554 HydrophobicContact CE1-CG 4.45Å; Y488-V557 HydrophobicContact CD1-CB 4.28Å; Y488-V557 HydrophobicContact CD1-CG1 4.35Å; Y488-V557 HydrophobicContact CD1-CG2 3.76Å; Y488-V557 HydrophobicContact CG-CG2 3.94Å
489	R	89.9	Confident	91.7	Very high	173 Å²	173	53.6 Å²	53.6	65%	0.653	26%	0.258	S	S	*	.	H	α-helix	trans	-63.9	-42.7	174.2	-62.7	179.6	-174.3	164	2.8	111	L485 G486 M491 D492 E493	L485-R489 PolarHBondContact O-N 2.91Å; G486-R489 PolarHBondContact O-N 3.17Å; R489-M491 VanDerWaalsContact C-N 3.26Å; R489-M491 PolarHBondContact O-N 2.97Å; R489-D492 WeakPolarHBondContact O-CB 3.42Å; R489-D492 PolarHBondContact O-N 3.09Å; R489-E493 PolarHBondContact O-N 3.5Å
490	H	91	Very high	91.5	Very high	89 Å²	89	57.4 Å²	57.4	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-39.7	174.4	-174.7	60.6	0	0	0	111.8	G486 L487 Y488 E493 V494	G486-H490 PolarHBondContact O-N 3.31Å; L487-H490 PolarHBondContact O-N 3.43Å; Y488-H490 VanDerWaalsContact C-N 3.35Å; H490-E493 IonicContact ND1-OE2 3.27Å; H490-E493 WeakPolarHBondContact O-CB 3.31Å; H490-E493 PolarHBondContact O-N 3.12Å; H490-V494 WeakPolarHBondContact O-CG2 3.46Å; H490-V494 PolarHBondContact O-N 3.4Å
491	M	91.1	Very high	91.3	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-35.6	176.5	-74.6	-64	-62.1	0	0	113.4	L487 Y488 R489 E493 V494 V495 R511 L514 V557	L487-M491 WeakPolarHBondContact O-CG 3.47Å; L487-M491 PolarHBondContact O-N 2.87Å; Y488-M491 PolarHBondContact O-N 3.36Å; R489-M491 VanDerWaalsContact C-N 3.26Å; R489-M491 PolarHBondContact O-N 2.97Å; M491-E493 VanDerWaalsContact C-N 3.27Å; M491-E493 PolarHBondContact O-N 2.94Å; M491-V494 PolarHBondContact O-N 3.36Å; M491-V495 WeakPolarHBondContact O-CB 3.39Å; M491-V495 VanDerWaalsContact O-CG2 3.29Å; M491-V495 WeakPolarHBondContact O-CG2 3.36Å; M491-V495 PolarHBondContact O-N 2.97Å; M491-R511 HydrophobicContact CE-CB 4.22Å; M491-L514 HydrophobicContact CE-CB 4.23Å; M491-L514 HydrophobicContact CE-CD2 4.12Å; M491-L514 HydrophobicContact CG-CB 3.75Å; M491-L514 HydrophobicContact CG-CD1 3.63Å; M491-L514 HydrophobicContact CG-CD2 3.76Å; M491-L514 HydrophobicContact CG-CG 3.86Å; M491-L514 HydrophobicContact SD-CB 3.75Å; M491-L514 HydrophobicContact SD-CD2 4.39Å; M491-L514 HydrophobicContact SD-CG 4.46Å; M491-V557 HydrophobicContact CB-CG1 3.98Å
492	D	89.2	Confident	91.1	Very high	36 Å²	36	68 Å²	68	19%	0.193	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-39.8	171.4	-71.1	-28.8	0	0	0	111.4	Y488 R489 V495 N496 R588	Y488-D492 PolarHBondContact O-N 3.42Å; R489-D492 WeakPolarHBondContact O-CB 3.42Å; R489-D492 PolarHBondContact O-N 3.09Å; D492-V495 PolarHBondContact O-N 3.23Å; D492-N496 WeakPolarHBondContact O-CB 3.47Å; D492-N496 PolarHBondContact O-N 2.75Å; D492-N496 PolarHBondContact O-ND2 3.49Å; D492-N496 VanDerWaalsContact O-ND2 3.15Å; D492-R588 VanDerWaalsContact CG-NH2 3.29Å; D492-R588 IonicContact OD1-CZ 3.8Å; D492-R588 IonicContact OD1-NH1 2.77Å; D492-R588 PolarHBondContact OD1-NH1 3.39Å; D492-R588 IonicContact OD1-NH2 3.04Å; D492-R588 PolarHBondContact OD1-NH2 3.01Å; D492-R588 IonicContact OD2-CZ 3.91Å; D492-R588 IonicContact OD2-NH1 2.69Å; D492-R588 PolarHBondContact OD2-NH1 2.9Å; D492-R588 IonicContact OD2-NH2 3.61Å; D492-R588 PolarHBondContact OD2-NH2 2.95Å
493	E	90.6	Very high	91	Very high	100 Å²	100	67.8 Å²	67.8	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-65.8	-42	174.7	-64.5	176.8	-174.6	0	0	112.7	R489 H490 M491 V495 N496 R497	R489-E493 PolarHBondContact O-N 3.5Å; H490-E493 IonicContact ND1-OE2 3.27Å; H490-E493 WeakPolarHBondContact O-CB 3.31Å; H490-E493 PolarHBondContact O-N 3.12Å; M491-E493 VanDerWaalsContact C-N 3.27Å; M491-E493 PolarHBondContact O-N 2.94Å; E493-V495 VanDerWaalsContact C-N 3.34Å; E493-N496 PolarHBondContact O-N 3.09Å; E493-R497 WeakPolarHBondContact O-CG 3.47Å; E493-R497 PolarHBondContact O-N 3.21Å; E493-R497 IonicContact OE2-NH2 3.76Å; E493-R497 PolarHBondContact OE2-NH2 3.49Å
494	V	91.8	Very high	90.7	Very high	14 Å²	14	65.3 Å²	65.3	9%	0.085	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-44.4	176.3	173.8	0	0	0	0	110.1	H490 M491 N496 R497 Y498 L507	H490-V494 WeakPolarHBondContact O-CG2 3.46Å; H490-V494 PolarHBondContact O-N 3.4Å; M491-V494 PolarHBondContact O-N 3.36Å; V494-N496 PolarHBondContact O-N 2.83Å; V494-R497 PolarHBondContact O-N 3.02Å; V494-Y498 WeakPolarHBondContact O-CB 3.49Å; V494-Y498 PolarHBondContact O-N 2.87Å; V494-L507 HydrophobicContact CG1-CD1 4.06Å
495	V	91	Very high	90.6	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-40.7	176	170.8	0	0	0	0	111.3	M491 D492 E493 Y498 K499 L507 C561 A564	M491-V495 WeakPolarHBondContact O-CB 3.39Å; M491-V495 VanDerWaalsContact O-CG2 3.29Å; M491-V495 WeakPolarHBondContact O-CG2 3.36Å; M491-V495 PolarHBondContact O-N 2.97Å; D492-V495 PolarHBondContact O-N 3.23Å; E493-V495 VanDerWaalsContact C-N 3.34Å; V495-Y498 WeakPolarHBondContact O-CB 3.46Å; V495-Y498 PolarHBondContact O-N 2.94Å; V495-K499 WeakPolarHBondContact O-CG 3.44Å; V495-K499 PolarHBondContact O-N 2.98Å; V495-L507 HydrophobicContact CG2-CD1 4.03Å; V495-C561 HydrophobicContact CG2-CB 4.13Å; V495-A564 HydrophobicContact CG1-CB 3.51Å
496	N	90.3	Very high	90.5	Very high	75 Å²	75	68.8 Å²	68.8	40%	0.401	35%	0.348	S	S	.	.	H	α-helix	trans	-65	-42.8	176.2	-75.4	-30.4	0	0	0	112.6	D492 E493 V494 Y498 K499 Q500	D492-N496 WeakPolarHBondContact O-CB 3.47Å; D492-N496 PolarHBondContact O-N 2.75Å; D492-N496 PolarHBondContact O-ND2 3.49Å; D492-N496 VanDerWaalsContact O-ND2 3.15Å; E493-N496 PolarHBondContact O-N 3.09Å; V494-N496 PolarHBondContact O-N 2.83Å; N496-Y498 VanDerWaalsContact C-N 3.34Å; N496-K499 PolarHBondContact O-N 3.46Å; N496-K499 WeakPolarHBondContact OD1-CE 3.49Å; N496-K499 PolarHBondContact OD1-NZ 3.17Å; N496-Q500 PolarHBondContact O-N 3.46Å
497	R	90.6	Very high	90.4	Very high	137 Å²	137	67.3 Å²	67.3	52%	0.517	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-40.2	173.5	-78.2	-176.7	-106.7	175.1	-9.6	111.9	E493 V494 K499 Q500 S501	E493-R497 WeakPolarHBondContact O-CG 3.47Å; E493-R497 PolarHBondContact O-N 3.21Å; E493-R497 IonicContact OE2-NH2 3.76Å; E493-R497 PolarHBondContact OE2-NH2 3.49Å; V494-R497 PolarHBondContact O-N 3.02Å; R497-K499 PolarHBondContact O-N 2.92Å; R497-Q500 PolarHBondContact O-N 3.26Å; R497-S501 WeakPolarHBondContact O-CB 3.48Å; R497-S501 PolarHBondContact O-N 3.31Å; R497-S501 PolarHBondContact O-OG 3.05Å
498	Y	92.8	Very high	90.3	Very high	15 Å²	15	68.8 Å²	68.8	6%	0.059	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-43.5	175.8	169.7	-107.4	0	0	0	112.3	V494 V495 N496 Q500 S501 R502 D503 T504 L507 E565 V568	V494-Y498 WeakPolarHBondContact O-CB 3.49Å; V494-Y498 PolarHBondContact O-N 2.87Å; V495-Y498 WeakPolarHBondContact O-CB 3.46Å; V495-Y498 PolarHBondContact O-N 2.94Å; N496-Y498 VanDerWaalsContact C-N 3.34Å; Y498-Q500 PolarHBondContact O-N 3.36Å; Y498-S501 PolarHBondContact O-N 3.09Å; Y498-R502 VanDerWaalsContact O-CA 3.32Å; Y498-R502 WeakPolarHBondContact O-CA 3.48Å; Y498-R502 PolarHBondContact O-N 2.98Å; Y498-D503 WeakPolarHBondContact CD2-O 3.36Å; Y498-T504 HydrophobicContact CE2-CG2 3.76Å; Y498-L507 HydrophobicContact CD1-CD1 4.48Å; Y498-L507 HydrophobicContact CD1-CD2 3.71Å; Y498-L507 HydrophobicContact CD2-CB 3.92Å; Y498-L507 HydrophobicContact CD2-CD2 3.97Å; Y498-L507 HydrophobicContact CD2-CG 4.46Å; Y498-L507 HydrophobicContact CE1-CD2 3.82Å; Y498-L507 HydrophobicContact CE2-CD2 4.07Å; Y498-L507 HydrophobicContact CG-CB 4.09Å; Y498-L507 HydrophobicContact CG-CD1 4.22Å; Y498-L507 HydrophobicContact CG-CD2 3.76Å; Y498-L507 HydrophobicContact CG-CG 4.25Å; Y498-E565 HydrophobicContact CE1-CG 4.09Å; Y498-V568 HydrophobicContact CD1-CG2 4.17Å; Y498-V568 HydrophobicContact CE1-CB 3.9Å; Y498-V568 HydrophobicContact CE1-CG1 4.37Å; Y498-V568 HydrophobicContact CE1-CG2 3.64Å
499	K	89.1	Confident	90.3	Very high	64 Å²	64	71.4 Å²	71.4	28%	0.278	36%	0.36	S	S	.	.	H	α-helix	trans	-58.2	-30	176.9	-74.1	-179.9	-67.8	-168.6	0	113.4	V495 N496 R497 A564 L567 V568 Y577	V495-K499 WeakPolarHBondContact O-CG 3.44Å; V495-K499 PolarHBondContact O-N 2.98Å; N496-K499 PolarHBondContact O-N 3.46Å; N496-K499 WeakPolarHBondContact OD1-CE 3.49Å; N496-K499 PolarHBondContact OD1-NZ 3.17Å; R497-K499 PolarHBondContact O-N 2.92Å; K499-A564 HydrophobicContact CD-CB 4.4Å; K499-A564 HydrophobicContact CG-CB 4.28Å; K499-L567 HydrophobicContact CD-CD2 4.35Å; K499-V568 HydrophobicContact CG-CG2 4.41Å; K499-Y577 HydrophobicContact CD-CE1 4.41Å; K499-Y577 PolarHBondContact NZ-OH 3.08Å
500	Q	90	Very high	90.3	Very high	168 Å²	168	63.6 Å²	63.6	79%	0.785	33%	0.333	S	S	*	.	H	α-helix	trans	-88.4	-47.7	179.9	-63.2	174.5	10.6	0	0	112.5	N496 R497 Y498	N496-Q500 PolarHBondContact O-N 3.46Å; R497-Q500 PolarHBondContact O-N 3.26Å; Y498-Q500 PolarHBondContact O-N 3.36Å
501	S	90.3	Very high	90.3	Very high	75 Å²	75	64 Å²	64	52%	0.524	33%	0.33	S	S	.	.	H	α-helix	trans	-87.4	-22.7	-171.9	60.4	0	0	0	0	114.3	R497 Y498 D503	R497-S501 WeakPolarHBondContact O-CB 3.48Å; R497-S501 PolarHBondContact O-N 3.31Å; R497-S501 PolarHBondContact O-OG 3.05Å; Y498-S501 PolarHBondContact O-N 3.09Å; S501-D503 PolarHBondContact O-N 3.47Å; S501-D503 PolarHBondContact OG-N 2.82Å
502	R	89.2	Confident	90.4	Very high	181 Å²	181	71 Å²	71	68%	0.683	36%	0.361	S	S	*	.			trans	58.6	19.2	-169.6	-51.5	-175.5	173.3	-177.9	-3.3	114.3	Y498 T504 V568	Y498-R502 VanDerWaalsContact O-CA 3.32Å; Y498-R502 WeakPolarHBondContact O-CA 3.48Å; Y498-R502 PolarHBondContact O-N 2.98Å; R502-T504 PolarHBondContact O-N 3.03Å; R502-T504 VanDerWaalsContact O-N 3.07Å; R502-V568 HydrophobicContact CB-CG1 4.22Å; R502-V568 HydrophobicContact CG-CG1 3.84Å
503	D	90.9	Very high	90.5	Very high	80 Å²	80	72.7 Å²	72.7	43%	0.428	37%	0.373	S	S	.	.			trans	-76.2	94.8	178.9	-174.7	-7.7	0	0	0	111.6	Y498 S501 G505 A506 L507	Y498-D503 WeakPolarHBondContact CD2-O 3.36Å; S501-D503 PolarHBondContact O-N 3.47Å; S501-D503 PolarHBondContact OG-N 2.82Å; D503-G505 PolarHBondContact O-N 3.31Å; D503-G505 WeakPolarHBondContact OD1-CA 3.34Å; D503-G505 PolarHBondContact OD1-N 2.85Å; D503-A506 HydrophobicContact CB-CB 4.11Å; D503-A506 PolarHBondContact O-N 3.14Å; D503-A506 PolarHBondContact OD1-N 3.03Å; D503-A506 WeakPolarHBondContact OD2-CB 3.16Å; D503-L507 PolarHBondContact O-N 3.16Å
504	T	88.2	Confident	90.6	Very high	81 Å²	81	68.5 Å²	68.5	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-22.8	176.4	55.9	0	0	0	0	113.3	Y498 R502 N508	Y498-T504 HydrophobicContact CE2-CG2 3.76Å; R502-T504 PolarHBondContact O-N 3.03Å; R502-T504 VanDerWaalsContact O-N 3.07Å; T504-N508 WeakPolarHBondContact O-CB 3.34Å; T504-N508 PolarHBondContact O-N 3.35Å; T504-N508 VanDerWaalsContact O-N 3.14Å; T504-N508 PolarHBondContact O-ND2 2.98Å
505	G	89.4	Confident	90.7	Very high	42 Å²	42	72.4 Å²	72.4	43%	0.433	37%	0.371	S	S	.	.	H	α-helix	trans	-68.8	-47.8	176.3	0	0	0	0	0	111.1	D503 L507 N508 S509	D503-G505 PolarHBondContact O-N 3.31Å; D503-G505 WeakPolarHBondContact OD1-CA 3.34Å; D503-G505 PolarHBondContact OD1-N 2.85Å; G505-L507 PolarHBondContact O-N 3.47Å; G505-N508 PolarHBondContact O-N 3.36Å; G505-S509 PolarHBondContact O-N 3.39Å; G505-S509 PolarHBondContact O-OG 3.09Å
506	A	87.9	Confident	90.8	Very high	43 Å²	43	74.6 Å²	74.6	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-64.3	-36.4	176.8	0	0	0	0	0	113.4	D503 S509 G510	D503-A506 HydrophobicContact CB-CB 4.11Å; D503-A506 PolarHBondContact O-N 3.14Å; D503-A506 PolarHBondContact OD1-N 3.03Å; D503-A506 WeakPolarHBondContact OD2-CB 3.16Å; A506-S509 WeakPolarHBondContact CA-OG 3.46Å; A506-S509 PolarHBondContact O-OG 3.36Å; A506-G510 PolarHBondContact O-N 2.87Å
507	L	90.5	Very high	91	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-67.3	-45.1	175.7	-174.1	67.5	0	0	0	111.7	V494 V495 Y498 D503 G505 G510 R511 E565	V494-L507 HydrophobicContact CG1-CD1 4.06Å; V495-L507 HydrophobicContact CG2-CD1 4.03Å; Y498-L507 HydrophobicContact CD1-CD1 4.48Å; Y498-L507 HydrophobicContact CD1-CD2 3.71Å; Y498-L507 HydrophobicContact CD2-CB 3.92Å; Y498-L507 HydrophobicContact CD2-CD2 3.97Å; Y498-L507 HydrophobicContact CD2-CG 4.46Å; Y498-L507 HydrophobicContact CE1-CD2 3.82Å; Y498-L507 HydrophobicContact CE2-CD2 4.07Å; Y498-L507 HydrophobicContact CG-CB 4.09Å; Y498-L507 HydrophobicContact CG-CD1 4.22Å; Y498-L507 HydrophobicContact CG-CD2 3.76Å; Y498-L507 HydrophobicContact CG-CG 4.25Å; D503-L507 PolarHBondContact O-N 3.16Å; G505-L507 PolarHBondContact O-N 3.47Å; L507-G510 PolarHBondContact O-N 2.98Å; L507-R511 WeakPolarHBondContact O-CB 3.32Å; L507-R511 PolarHBondContact O-N 3.36Å; L507-E565 HydrophobicContact CD2-CG 3.55Å; L507-E565 WeakPolarHBondContact CD2-OE1 3.24Å
508	N	91.3	Very high	91.2	Very high	55 Å²	55	68.4 Å²	68.4	29%	0.294	37%	0.366	S	S	.	.	H	α-helix	trans	-67.9	-36.6	179.7	-81.6	-53.2	0	0	0	112.5	T504 G505 R511 K512	T504-N508 WeakPolarHBondContact O-CB 3.34Å; T504-N508 PolarHBondContact O-N 3.35Å; T504-N508 VanDerWaalsContact O-N 3.14Å; T504-N508 PolarHBondContact O-ND2 2.98Å; G505-N508 PolarHBondContact O-N 3.36Å; N508-R511 PolarHBondContact OD1-NH2 2.95Å; N508-K512 WeakPolarHBondContact O-CG 3.47Å; N508-K512 PolarHBondContact O-N 3.11Å
509	S	91.7	Very high	91.3	Very high	63 Å²	63	76 Å²	76	44%	0.441	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-46.7	173.2	64.1	0	0	0	0	111.1	G505 A506 R511 K512 T513	G505-S509 PolarHBondContact O-N 3.39Å; G505-S509 PolarHBondContact O-OG 3.09Å; A506-S509 WeakPolarHBondContact CA-OG 3.46Å; A506-S509 PolarHBondContact O-OG 3.36Å; S509-R511 VanDerWaalsContact C-N 3.32Å; S509-R511 PolarHBondContact O-N 3.03Å; S509-K512 PolarHBondContact O-N 2.92Å; S509-K512 VanDerWaalsContact O-N 3.16Å; S509-T513 PolarHBondContact O-N 3.35Å; S509-T513 PolarHBondContact O-OG1 3.4Å; S509-T513 VanDerWaalsContact O-OG1 3.1Å
510	G	90.6	Very high	91.6	Very high	8 Å²	8	76.6 Å²	76.6	8%	0.082	40%	0.404	C	S	.	.	H	α-helix	trans	-56.7	-43.7	175.4	0	0	0	0	0	112.7	A506 L507 T513 L514	A506-G510 PolarHBondContact O-N 2.87Å; L507-G510 PolarHBondContact O-N 2.98Å; G510-T513 PolarHBondContact O-N 3.27Å; G510-L514 PolarHBondContact O-N 3.31Å
511	R	90.8	Very high	91.8	Very high	97 Å²	97	69 Å²	69	37%	0.366	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-43.1	175.7	-177.4	173.1	59.6	147.1	-7.1	112.8	M491 L507 N508 S509 T513 L514 E515	M491-R511 HydrophobicContact CE-CB 4.22Å; L507-R511 WeakPolarHBondContact O-CB 3.32Å; L507-R511 PolarHBondContact O-N 3.36Å; N508-R511 PolarHBondContact OD1-NH2 2.95Å; S509-R511 VanDerWaalsContact C-N 3.32Å; S509-R511 PolarHBondContact O-N 3.03Å; R511-T513 VanDerWaalsContact C-N 3.31Å; R511-T513 PolarHBondContact O-N 3.44Å; R511-L514 PolarHBondContact O-N 2.99Å; R511-E515 WeakPolarHBondContact O-CG 3.49Å; R511-E515 PolarHBondContact O-N 3.12Å
512	K	92.8	Very high	92.1	Very high	152 Å²	152	67 Å²	67	66%	0.661	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-41.8	175.5	-77	179.6	178.2	-177.1	0	111.4	N508 S509 E515 A516	N508-K512 WeakPolarHBondContact O-CG 3.47Å; N508-K512 PolarHBondContact O-N 3.11Å; S509-K512 PolarHBondContact O-N 2.92Å; S509-K512 VanDerWaalsContact O-N 3.16Å; K512-E515 PolarHBondContact O-N 3Å; K512-A516 WeakPolarHBondContact O-CB 3.22Å; K512-A516 PolarHBondContact O-N 3.48Å
513	T	91.8	Very high	92.4	Very high	72 Å²	72	62.7 Å²	62.7	44%	0.442	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-47.9	175.8	-56.1	0	0	0	0	111.3	S509 G510 R511 E515 A516 D517	S509-T513 PolarHBondContact O-N 3.35Å; S509-T513 PolarHBondContact O-OG1 3.4Å; S509-T513 VanDerWaalsContact O-OG1 3.1Å; G510-T513 PolarHBondContact O-N 3.27Å; R511-T513 VanDerWaalsContact C-N 3.31Å; R511-T513 PolarHBondContact O-N 3.44Å; T513-E515 VanDerWaalsContact C-N 3.32Å; T513-E515 PolarHBondContact O-N 2.93Å; T513-A516 PolarHBondContact O-N 3.05Å; T513-D517 WeakPolarHBondContact O-CB 3.43Å; T513-D517 PolarHBondContact O-N 3.4Å
514	L	92.9	Very high	92.6	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-54.1	-48.6	174.3	178.6	70.2	0	0	0	111.4	L487 Y488 M491 G510 R511 H518 V557	L487-L514 HydrophobicContact CB-CD1 3.66Å; Y488-L514 HydrophobicContact CD1-CD1 4.02Å; Y488-L514 HydrophobicContact CE1-CD1 4.2Å; M491-L514 HydrophobicContact CE-CB 4.23Å; M491-L514 HydrophobicContact CE-CD2 4.12Å; M491-L514 HydrophobicContact CG-CB 3.75Å; M491-L514 HydrophobicContact CG-CD1 3.63Å; M491-L514 HydrophobicContact CG-CD2 3.76Å; M491-L514 HydrophobicContact CG-CG 3.86Å; M491-L514 HydrophobicContact SD-CB 3.75Å; M491-L514 HydrophobicContact SD-CD2 4.39Å; M491-L514 HydrophobicContact SD-CG 4.46Å; G510-L514 PolarHBondContact O-N 3.31Å; R511-L514 PolarHBondContact O-N 2.99Å; L514-H518 WeakPolarHBondContact O-CB 3.46Å; L514-H518 PolarHBondContact O-N 2.88Å; L514-V557 HydrophobicContact CD2-CG1 4.14Å
515	E	92.3	Very high	92.9	Very high	97 Å²	97	58.4 Å²	58.4	45%	0.453	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-43.1	-178.3	-77.2	177.9	-175.4	0	0	112.3	R511 K512 T513 R519	R511-E515 WeakPolarHBondContact O-CG 3.49Å; R511-E515 PolarHBondContact O-N 3.12Å; K512-E515 PolarHBondContact O-N 3Å; T513-E515 VanDerWaalsContact C-N 3.32Å; T513-E515 PolarHBondContact O-N 2.93Å; E515-R519 WeakPolarHBondContact O-CB 3.42Å; E515-R519 PolarHBondContact O-N 3.15Å
516	A	94.2	Very high	93.2	Very high	50 Å²	50	58.5 Å²	58.5	41%	0.413	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-48.8	179.2	0	0	0	0	0	112	K512 T513 R519 T520	K512-A516 WeakPolarHBondContact O-CB 3.22Å; K512-A516 PolarHBondContact O-N 3.48Å; T513-A516 PolarHBondContact O-N 3.05Å; A516-R519 PolarHBondContact O-N 2.92Å; A516-T520 PolarHBondContact O-N 3.39Å; A516-T520 PolarHBondContact O-OG1 3.41Å
517	D	93.6	Very high	93.5	Very high	70 Å²	70	59.5 Å²	59.5	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-68.8	-42.4	-179.2	-70.8	-12.9	0	0	0	111	L487 T513 R519 T520 L521	L487-D517 HydrophobicContact CD1-CB 3.64Å; L487-D517 HydrophobicContact CD2-CB 4.03Å; T513-D517 WeakPolarHBondContact O-CB 3.43Å; T513-D517 PolarHBondContact O-N 3.4Å; D517-R519 VanDerWaalsContact C-N 3.33Å; D517-R519 PolarHBondContact O-N 3.47Å; D517-T520 PolarHBondContact O-N 3.24Å; D517-L521 WeakPolarHBondContact O-CB 3.31Å; D517-L521 VanDerWaalsContact O-CG 3.3Å; D517-L521 WeakPolarHBondContact O-CG 3.39Å; D517-L521 PolarHBondContact O-N 3.25Å
518	H	94.8	Very high	93.7	Very high	11 Å²	11	59.8 Å²	59.8	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-43.2	175.4	-179.6	-83.5	0	0	0	111.7	Y488 L514 T522 D550 K554	Y488-H518 PolarHBondContact OH-CD2 3.4Å; Y488-H518 PolarHBondContact OH-NE2 3.02Å; Y488-H518 VanDerWaalsContact OH-NE2 3.14Å; L514-H518 WeakPolarHBondContact O-CB 3.46Å; L514-H518 PolarHBondContact O-N 2.88Å; H518-T522 PolarHBondContact CE1-OG1 2.98Å; H518-T522 VanDerWaalsContact O-CB 3.27Å; H518-T522 WeakPolarHBondContact O-CB 3.33Å; H518-T522 PolarHBondContact O-N 2.74Å; H518-T522 PolarHBondContact O-OG1 3.38Å; H518-D550 IonicContact CD2-OD2 3.37Å; H518-D550 IonicContact CE1-OD2 3.89Å; H518-D550 IonicContact NE2-OD2 3.34Å; H518-D550 PolarHBondContact NE2-OD2 3.4Å; H518-K554 VanDerWaalsContact CE1-CD 3.5Å; H518-K554 WeakPolarHBondContact CE1-CD 3.41Å; H518-K554 WeakPolarHBondContact ND1-CD 3.33Å; H518-K554 PolarHBondContact ND1-NZ 2.66Å
519	R	94.9	Very high	93.8	Very high	176 Å²	176	58.5 Å²	58.5	66%	0.664	31%	0.309	S	S	*	.	H	α-helix	trans	-63	-43.9	176.9	-177.3	179.7	-178.9	-173.5	-1.2	111.4	E515 A516 D517 T522 N523	E515-R519 WeakPolarHBondContact O-CB 3.42Å; E515-R519 PolarHBondContact O-N 3.15Å; A516-R519 PolarHBondContact O-N 2.92Å; D517-R519 VanDerWaalsContact C-N 3.33Å; D517-R519 PolarHBondContact O-N 3.47Å; R519-T522 PolarHBondContact O-N 2.92Å; R519-N523 VanDerWaalsContact O-CG 3.26Å; R519-N523 PolarHBondContact O-N 3.39Å; R519-N523 PolarHBondContact O-ND2 3.08Å
520	T	95.4	Very high	93.9	Very high	76 Å²	76	58 Å²	58	47%	0.466	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-52.1	178.6	-55.1	0	0	0	0	110.7	A516 D517 T522 N523 D524	A516-T520 PolarHBondContact O-N 3.39Å; A516-T520 PolarHBondContact O-OG1 3.41Å; D517-T520 PolarHBondContact O-N 3.24Å; T520-T522 VanDerWaalsContact C-N 3.29Å; T520-T522 PolarHBondContact O-N 2.9Å; T520-N523 WeakPolarHBondContact O-CB 3.47Å; T520-N523 PolarHBondContact O-N 3.31Å; T520-N523 VanDerWaalsContact O-N 3.13Å; T520-D524 PolarHBondContact O-N 3.08Å
521	L	95.4	Very high	94	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-37.1	178	-65.8	174.9	0	0	0	112.4	L480 K483 R484 L487 D517 D524 I525	L480-L521 HydrophobicContact CD2-CD2 3.75Å; K483-L521 HydrophobicContact CB-CD1 4.37Å; K483-L521 HydrophobicContact CD-CD1 4.49Å; K483-L521 HydrophobicContact CD-CD2 3.99Å; K483-L521 HydrophobicContact CG-CD1 4.12Å; K483-L521 HydrophobicContact CG-CD2 4.42Å; R484-L521 HydrophobicContact CB-CD1 3.89Å; R484-L521 HydrophobicContact CG-CD1 4.39Å; L487-L521 HydrophobicContact CD1-CD1 3.71Å; L487-L521 HydrophobicContact CG-CD1 4.46Å; D517-L521 WeakPolarHBondContact O-CB 3.31Å; D517-L521 VanDerWaalsContact O-CG 3.3Å; D517-L521 WeakPolarHBondContact O-CG 3.39Å; D517-L521 PolarHBondContact O-N 3.25Å; L521-D524 PolarHBondContact O-N 2.88Å; L521-I525 WeakPolarHBondContact O-CB 3.3Å; L521-I525 WeakPolarHBondContact O-CD1 3.4Å; L521-I525 WeakPolarHBondContact O-CG1 3.44Å; L521-I525 PolarHBondContact O-N 3.39Å
522	T	95.1	Very high	94	Very high	32 Å²	32	59 Å²	59	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-40.7	176.8	-61.3	0	0	0	0	111.6	H518 R519 T520 S526	H518-T522 PolarHBondContact CE1-OG1 2.98Å; H518-T522 VanDerWaalsContact O-CB 3.27Å; H518-T522 WeakPolarHBondContact O-CB 3.33Å; H518-T522 PolarHBondContact O-N 2.74Å; H518-T522 PolarHBondContact O-OG1 3.38Å; R519-T522 PolarHBondContact O-N 2.92Å; T520-T522 VanDerWaalsContact C-N 3.29Å; T520-T522 PolarHBondContact O-N 2.9Å; T522-S526 VanDerWaalsContact O-CB 3.3Å; T522-S526 WeakPolarHBondContact O-CB 3.44Å; T522-S526 PolarHBondContact O-N 3.41Å; T522-S526 PolarHBondContact O-OG 3.03Å
523	N	95.6	Very high	93.9	Very high	92 Å²	92	57.4 Å²	57.4	49%	0.492	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-43.3	175.6	-68.5	-20.5	0	0	0	111.3	R519 T520 S526 S527	R519-N523 VanDerWaalsContact O-CG 3.26Å; R519-N523 PolarHBondContact O-N 3.39Å; R519-N523 PolarHBondContact O-ND2 3.08Å; T520-N523 WeakPolarHBondContact O-CB 3.47Å; T520-N523 PolarHBondContact O-N 3.31Å; T520-N523 VanDerWaalsContact O-N 3.13Å; N523-S526 WeakPolarHBondContact O-CB 3.46Å; N523-S526 PolarHBondContact O-N 2.89Å; N523-S527 PolarHBondContact O-N 3.4Å
524	D	95.4	Very high	93.8	Very high	70 Å²	70	59.6 Å²	59.6	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-47.4	178.4	-66.2	-18.3	0	0	0	111	L480 T520 L521 S526 S527 L528	L480-D524 HydrophobicContact CD1-CB 3.74Å; T520-D524 PolarHBondContact O-N 3.08Å; L521-D524 PolarHBondContact O-N 2.88Å; D524-S526 VanDerWaalsContact C-N 3.3Å; D524-S526 PolarHBondContact O-N 3.11Å; D524-S527 WeakPolarHBondContact O-CB 3.3Å; D524-S527 PolarHBondContact O-N 3.48Å; D524-S527 VanDerWaalsContact O-N 3.15Å; D524-S527 PolarHBondContact O-OG 2.73Å; D524-L528 WeakPolarHBondContact O-CG 3.49Å; D524-L528 PolarHBondContact O-N 2.74Å
525	I	95.2	Very high	93.5	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-37	176	-61.7	163.9	0	0	0	110.8	V477 L480 V481 L521 S527 L528 Q529 V543 Q547	V477-I525 HydrophobicContact CG1-CG2 4.23Å; L480-I525 HydrophobicContact CB-CD1 3.97Å; L480-I525 HydrophobicContact CB-CG1 3.65Å; L480-I525 HydrophobicContact CD1-CG1 3.94Å; L480-I525 HydrophobicContact CG-CG1 4.48Å; V481-I525 HydrophobicContact CG2-CD1 3.88Å; L521-I525 WeakPolarHBondContact O-CB 3.3Å; L521-I525 WeakPolarHBondContact O-CD1 3.4Å; L521-I525 WeakPolarHBondContact O-CG1 3.44Å; L521-I525 PolarHBondContact O-N 3.39Å; I525-S527 VanDerWaalsContact C-N 3.32Å; I525-S527 PolarHBondContact O-N 2.95Å; I525-L528 PolarHBondContact O-N 3.39Å; I525-Q529 WeakPolarHBondContact O-CB 3.13Å; I525-Q529 PolarHBondContact O-N 2.88Å; I525-V543 HydrophobicContact CG2-CG1 3.67Å; I525-Q547 HydrophobicContact CG2-CG 3.99Å
526	S	94.8	Very high	93	Very high	45 Å²	45	60.6 Å²	60.6	32%	0.315	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-37.7	175.1	-63.3	0	0	0	0	112.2	T522 N523 D524 Q529 A530 Q547	T522-S526 VanDerWaalsContact O-CB 3.3Å; T522-S526 WeakPolarHBondContact O-CB 3.44Å; T522-S526 PolarHBondContact O-N 3.41Å; T522-S526 PolarHBondContact O-OG 3.03Å; N523-S526 WeakPolarHBondContact O-CB 3.46Å; N523-S526 PolarHBondContact O-N 2.89Å; D524-S526 VanDerWaalsContact C-N 3.3Å; D524-S526 PolarHBondContact O-N 3.11Å; S526-Q529 PolarHBondContact O-N 3.05Å; S526-A530 PolarHBondContact O-N 3.14Å; S526-Q547 PolarHBondContact OG-NE2 3.35Å; S526-Q547 PolarHBondContact OG-OE1 3.47Å
527	S	95.1	Very high	92.6	Very high	63 Å²	63	59.1 Å²	59.1	44%	0.441	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-41.6	175.1	82.1	0	0	0	0	111.9	N523 D524 I525 A530 R531	N523-S527 PolarHBondContact O-N 3.4Å; D524-S527 WeakPolarHBondContact O-CB 3.3Å; D524-S527 PolarHBondContact O-N 3.48Å; D524-S527 VanDerWaalsContact O-N 3.15Å; D524-S527 PolarHBondContact O-OG 2.73Å; I525-S527 VanDerWaalsContact C-N 3.32Å; I525-S527 PolarHBondContact O-N 2.95Å; S527-A530 PolarHBondContact O-N 3.1Å; S527-R531 WeakPolarHBondContact O-CG 3.36Å; S527-R531 PolarHBondContact O-N 3.39Å; S527-R531 VanDerWaalsContact O-N 3.08Å
528	L	94	Very high	92.2	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-39.3	176.2	-65.6	177.9	0	0	0	111.7	I473 Q476 V477 L480 D524 I525 A530 R531 L532	I473-L528 HydrophobicContact CG2-CB 3.96Å; I473-L528 HydrophobicContact CG2-CD2 4.17Å; Q476-L528 HydrophobicContact CB-CD1 3.69Å; Q476-L528 HydrophobicContact CB-CD2 4.5Å; V477-L528 HydrophobicContact CG2-CB 3.63Å; V477-L528 HydrophobicContact CG2-CD1 3.74Å; V477-L528 HydrophobicContact CG2-CG 4.35Å; L480-L528 HydrophobicContact CD1-CD1 3.68Å; D524-L528 WeakPolarHBondContact O-CG 3.49Å; D524-L528 PolarHBondContact O-N 2.74Å; I525-L528 PolarHBondContact O-N 3.39Å; L528-A530 VanDerWaalsContact C-N 3.33Å; L528-A530 PolarHBondContact O-N 3.12Å; L528-R531 WeakPolarHBondContact O-CB 3.37Å; L528-R531 PolarHBondContact O-N 3.22Å; L528-R531 VanDerWaalsContact O-N 3.17Å; L528-L532 PolarHBondContact O-N 3.26Å
529	Q	93.8	Very high	91.9	Very high	27 Å²	27	61.8 Å²	61.8	13%	0.126	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-43.2	173.5	-171.6	-171.5	3.5	0	0	111.4	I525 S526 R531 L532 K533 A540 V543	I525-Q529 WeakPolarHBondContact O-CB 3.13Å; I525-Q529 PolarHBondContact O-N 2.88Å; S526-Q529 PolarHBondContact O-N 3.05Å; Q529-R531 VanDerWaalsContact C-N 3.31Å; Q529-R531 PolarHBondContact O-N 3.44Å; Q529-L532 PolarHBondContact O-N 3.36Å; Q529-K533 WeakPolarHBondContact O-CG 3.5Å; Q529-K533 PolarHBondContact O-N 3.27Å; Q529-K533 VanDerWaalsContact O-N 3.08Å; Q529-A540 HydrophobicContact CG-CB 4.33Å; Q529-A540 WeakPolarHBondContact CG-O 3.36Å; Q529-A540 PolarHBondContact NE2-O 3.28Å; Q529-V543 HydrophobicContact CB-CG1 3.91Å; Q529-V543 HydrophobicContact CG-CB 4.2Å; Q529-V543 HydrophobicContact CG-CG1 4.04Å
530	A	93.3	Very high	91.7	Very high	53 Å²	53	53.5 Å²	53.5	44%	0.438	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.5	0	0	0	0	0	111.6	S526 S527 L528 K533 T534	S526-A530 PolarHBondContact O-N 3.14Å; S527-A530 PolarHBondContact O-N 3.1Å; L528-A530 VanDerWaalsContact C-N 3.33Å; L528-A530 PolarHBondContact O-N 3.12Å; A530-K533 WeakPolarHBondContact O-CB 3.19Å; A530-K533 PolarHBondContact O-N 3.09Å; A530-T534 PolarHBondContact O-N 3.01Å; A530-T534 PolarHBondContact O-OG1 3.29Å; A530-T534 VanDerWaalsContact O-OG1 3.09Å
531	R	91.9	Very high	91.5	Very high	126 Å²	126	55.3 Å²	55.3	48%	0.475	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-41.7	174.2	-69.6	176.1	63.4	-169	-2.1	112.4	I473 S527 L528 Q529 K533 T534 E535	I473-R531 HydrophobicContact CD1-CB 4.01Å; S527-R531 WeakPolarHBondContact O-CG 3.36Å; S527-R531 PolarHBondContact O-N 3.39Å; S527-R531 VanDerWaalsContact O-N 3.08Å; L528-R531 WeakPolarHBondContact O-CB 3.37Å; L528-R531 PolarHBondContact O-N 3.22Å; L528-R531 VanDerWaalsContact O-N 3.17Å; Q529-R531 VanDerWaalsContact C-N 3.31Å; Q529-R531 PolarHBondContact O-N 3.44Å; R531-K533 VanDerWaalsContact C-N 3.28Å; R531-K533 PolarHBondContact O-N 3.06Å; R531-T534 WeakPolarHBondContact O-CB 3.42Å; R531-T534 PolarHBondContact O-N 3.5Å; R531-T534 VanDerWaalsContact O-N 3.17Å; R531-E535 WeakPolarHBondContact O-CG 3.5Å; R531-E535 PolarHBondContact O-N 3.18Å
532	L	91.6	Very high	91.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-38.3	173.9	-72.9	172.4	0	0	0	112.2	V470 I473 L528 Q529 E535 G536 S537 L539 A540 V543	V470-L532 HydrophobicContact CB-CD2 4.48Å; V470-L532 HydrophobicContact CG1-CD2 4.02Å; V470-L532 HydrophobicContact CG2-CD2 4.5Å; I473-L532 HydrophobicContact CB-CD2 3.87Å; I473-L532 HydrophobicContact CB-CG 4.31Å; I473-L532 HydrophobicContact CD1-CD2 4.43Å; I473-L532 HydrophobicContact CG2-CD1 4.16Å; I473-L532 HydrophobicContact CG2-CD2 3.69Å; I473-L532 HydrophobicContact CG2-CG 3.57Å; L528-L532 PolarHBondContact O-N 3.26Å; Q529-L532 PolarHBondContact O-N 3.36Å; L532-E535 PolarHBondContact O-N 3.2Å; L532-G536 PolarHBondContact O-N 2.89Å; L532-S537 PolarHBondContact O-N 2.7Å; L532-L539 HydrophobicContact CD1-CB 4.44Å; L532-A540 HydrophobicContact CB-CB 3.78Å; L532-V543 HydrophobicContact CD1-CG2 3.91Å
533	K	90.6	Very high	91.2	Very high	118 Å²	118	56.3 Å²	56.3	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-65.1	-41.5	174.6	-67.2	-174.6	178.9	-176	0	112	Q529 A530 R531 E535 G536 A540	Q529-K533 WeakPolarHBondContact O-CG 3.5Å; Q529-K533 PolarHBondContact O-N 3.27Å; Q529-K533 VanDerWaalsContact O-N 3.08Å; A530-K533 WeakPolarHBondContact O-CB 3.19Å; A530-K533 PolarHBondContact O-N 3.09Å; R531-K533 VanDerWaalsContact C-N 3.28Å; R531-K533 PolarHBondContact O-N 3.06Å; K533-E535 VanDerWaalsContact C-N 3.28Å; K533-E535 PolarHBondContact O-N 3.38Å; K533-G536 PolarHBondContact O-N 3.33Å; K533-A540 HydrophobicContact CB-CB 4.44Å; K533-A540 HydrophobicContact CD-CB 4.4Å; K533-A540 HydrophobicContact CG-CB 3.39Å
534	T	90	Very high	91	Very high	119 Å²	119	53 Å²	53	73%	0.73	31%	0.306	S	S	*	.	H	α-helix	trans	-62.4	-36.4	177.1	-55.1	0	0	0	0	111.9	A530 R531 G536	A530-T534 PolarHBondContact O-N 3.01Å; A530-T534 PolarHBondContact O-OG1 3.29Å; A530-T534 VanDerWaalsContact O-OG1 3.09Å; R531-T534 WeakPolarHBondContact O-CB 3.42Å; R531-T534 PolarHBondContact O-N 3.5Å; R531-T534 VanDerWaalsContact O-N 3.17Å; T534-G536 PolarHBondContact O-N 3.21Å
535	E	86.7	Confident	90.9	Very high	60 Å²	60	53 Å²	53	28%	0.28	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.9	175.1	-59.8	-65.4	154.6	0	0	113.2	V466 V470 I473 R531 L532 K533	V466-E535 HydrophobicContact CG1-CB 4.45Å; V470-E535 HydrophobicContact CG2-CB 4Å; I473-E535 HydrophobicContact CD1-CG 4.39Å; R531-E535 WeakPolarHBondContact O-CG 3.5Å; R531-E535 PolarHBondContact O-N 3.18Å; L532-E535 PolarHBondContact O-N 3.2Å; K533-E535 VanDerWaalsContact C-N 3.28Å; K533-E535 PolarHBondContact O-N 3.38Å
536	G	82.1	Confident	90.8	Very high	69 Å²	69	53 Å²	53	71%	0.711	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	20.2	176.6	0	0	0	0	0	115.2	L532 K533 T534	L532-G536 PolarHBondContact O-N 2.89Å; K533-G536 PolarHBondContact O-N 3.33Å; T534-G536 PolarHBondContact O-N 3.21Å
537	S	85.1	Confident	90.8	Very high	18 Å²	18	52.4 Å²	52.4	13%	0.126	30%	0.296	C	S	.	.			trans	-85.4	132.7	-178.3	-179.5	0	0	0	0	112.7	L532 L539 A540	L532-S537 PolarHBondContact O-N 2.7Å; S537-L539 PolarHBondContact O-N 3.15Å; S537-L539 WeakPolarHBondContact OG-CB 3.35Å; S537-L539 WeakPolarHBondContact OG-CG 3.32Å; S537-L539 PolarHBondContact OG-N 2.98Å; S537-A540 WeakPolarHBondContact O-CB 3.44Å; S537-A540 PolarHBondContact O-N 3.34Å
538	D	85.4	Confident	90.7	Very high	115 Å²	115	56.5 Å²	56.5	62%	0.615	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.3	170.6	62.2	-30.8	0	0	0	113.2	A540 D541	D538-A540 PolarHBondContact O-N 3.36Å; D538-D541 PolarHBondContact O-N 3.08Å; D538-D541 VanDerWaalsContact O-N 3.16Å
539	L	89.1	Confident	90.7	Very high	23 Å²	23	56.5 Å²	56.5	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-24.8	173.8	-58.9	-175.7	0	0	0	112.5	V470 T474 L532 S537 D541 K542 V543 L602	V470-L539 HydrophobicContact CG1-CD1 3.81Å; T474-L539 HydrophobicContact CG2-CD1 4.48Å; T474-L539 WeakPolarHBondContact OG1-CD1 3.5Å; L532-L539 HydrophobicContact CD1-CB 4.44Å; S537-L539 PolarHBondContact O-N 3.15Å; S537-L539 WeakPolarHBondContact OG-CB 3.35Å; S537-L539 WeakPolarHBondContact OG-CG 3.32Å; S537-L539 PolarHBondContact OG-N 2.98Å; L539-D541 PolarHBondContact O-N 3.4Å; L539-K542 HydrophobicContact CD2-CD 4.15Å; L539-K542 PolarHBondContact O-N 2.8Å; L539-V543 WeakPolarHBondContact O-CG2 3.49Å; L539-V543 PolarHBondContact O-N 2.85Å; L539-L602 HydrophobicContact CB-CD2 4.08Å; L539-L602 HydrophobicContact CD2-CD2 4.11Å
540	A	90.5	Very high	90.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-32.3	176.9	0	0	0	0	0	113.2	Q529 L532 K533 S537 D538 G544	Q529-A540 HydrophobicContact CG-CB 4.33Å; Q529-A540 WeakPolarHBondContact CG-O 3.36Å; Q529-A540 PolarHBondContact NE2-O 3.28Å; L532-A540 HydrophobicContact CB-CB 3.78Å; K533-A540 HydrophobicContact CB-CB 4.44Å; K533-A540 HydrophobicContact CD-CB 4.4Å; K533-A540 HydrophobicContact CG-CB 3.39Å; S537-A540 WeakPolarHBondContact O-CB 3.44Å; S537-A540 PolarHBondContact O-N 3.34Å; D538-A540 PolarHBondContact O-N 3.36Å; A540-G544 PolarHBondContact O-N 3.19Å; A540-G544 VanDerWaalsContact O-N 3.14Å
541	D	90.4	Very high	90.7	Very high	114 Å²	114	54 Å²	54	61%	0.61	29%	0.292	S	S	*	.	H	α-helix	trans	-75	-39.7	179.2	-68.3	-28	0	0	0	110.9	D538 L539 V543 G544 E545	D538-D541 PolarHBondContact O-N 3.08Å; D538-D541 VanDerWaalsContact O-N 3.16Å; L539-D541 PolarHBondContact O-N 3.4Å; D541-V543 PolarHBondContact O-N 3.04Å; D541-G544 WeakPolarHBondContact O-CA 3.41Å; D541-G544 PolarHBondContact O-N 3.13Å; D541-G544 VanDerWaalsContact O-N 3.09Å; D541-E545 PolarHBondContact O-N 2.9Å
542	K	91.1	Very high	90.8	Very high	62 Å²	62	51.8 Å²	51.8	27%	0.27	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-43.1	173	-63.5	-174.6	-177.8	-171.9	0	112	L539 G544 E545 V546 T601 L602	L539-K542 HydrophobicContact CD2-CD 4.15Å; L539-K542 PolarHBondContact O-N 2.8Å; K542-G544 PolarHBondContact O-N 2.85Å; K542-E545 PolarHBondContact O-N 3.01Å; K542-E545 VanDerWaalsContact O-N 3.12Å; K542-V546 WeakPolarHBondContact O-CG2 3.18Å; K542-V546 PolarHBondContact O-N 3.25Å; K542-T601 VanDerWaalsContact NZ-CB 3.3Å; K542-T601 PolarHBondContact NZ-O 3.4Å; K542-T601 PolarHBondContact NZ-OG1 3.22Å; K542-L602 HydrophobicContact CB-CD2 3.65Å; K542-L602 HydrophobicContact CD-CD2 4.09Å
543	V	92.5	Very high	90.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-37	173.6	174.9	0	0	0	0	111.1	V477 I525 Q529 L532 L539 D541 V546 Q547 L602	V477-V543 HydrophobicContact CG1-CG1 3.99Å; V477-V543 HydrophobicContact CG1-CG2 3.84Å; V477-V543 HydrophobicContact CG2-CG2 4.46Å; I525-V543 HydrophobicContact CG2-CG1 3.67Å; Q529-V543 HydrophobicContact CB-CG1 3.91Å; Q529-V543 HydrophobicContact CG-CB 4.2Å; Q529-V543 HydrophobicContact CG-CG1 4.04Å; L532-V543 HydrophobicContact CD1-CG2 3.91Å; L539-V543 WeakPolarHBondContact O-CG2 3.49Å; L539-V543 PolarHBondContact O-N 2.85Å; D541-V543 PolarHBondContact O-N 3.04Å; V543-V546 PolarHBondContact O-N 2.72Å; V543-Q547 WeakPolarHBondContact O-CG 3.24Å; V543-Q547 PolarHBondContact O-N 3.36Å; V543-L602 HydrophobicContact CG2-CD1 4.15Å; V543-L602 HydrophobicContact CG2-CD2 4Å
544	G	92.5	Very high	91	Very high	22 Å²	22	48.7 Å²	48.7	23%	0.227	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-41.6	173.1	0	0	0	0	0	113.1	A540 D541 K542 Q547 K548	A540-G544 PolarHBondContact O-N 3.19Å; A540-G544 VanDerWaalsContact O-N 3.14Å; D541-G544 WeakPolarHBondContact O-CA 3.41Å; D541-G544 PolarHBondContact O-N 3.13Å; D541-G544 VanDerWaalsContact O-N 3.09Å; K542-G544 PolarHBondContact O-N 2.85Å; G544-Q547 PolarHBondContact O-N 3.09Å; G544-K548 PolarHBondContact O-N 3Å; G544-K548 VanDerWaalsContact O-N 3.09Å
545	E	93.1	Very high	91.1	Very high	69 Å²	69	47.6 Å²	47.6	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-43.1	174.7	-168.9	176.2	176.5	0	0	111.6	D541 K542 Q547 K548 L549 R594 L598	D541-E545 PolarHBondContact O-N 2.9Å; K542-E545 PolarHBondContact O-N 3.01Å; K542-E545 VanDerWaalsContact O-N 3.12Å; E545-Q547 VanDerWaalsContact C-N 3.32Å; E545-Q547 PolarHBondContact O-N 3.45Å; E545-K548 WeakPolarHBondContact O-CB 3.27Å; E545-K548 PolarHBondContact O-N 3.43Å; E545-K548 VanDerWaalsContact O-N 3.11Å; E545-L549 HydrophobicContact CG-CD1 4.3Å; E545-L549 HydrophobicContact CG-CG 4.49Å; E545-L549 WeakPolarHBondContact O-CG 3.41Å; E545-L549 PolarHBondContact O-N 3.4Å; E545-R594 IonicContact OE1-CZ 3.19Å; E545-R594 IonicContact OE1-NE 2.7Å; E545-R594 PolarHBondContact OE1-NE 3.01Å; E545-R594 IonicContact OE1-NH2 3.21Å; E545-R594 PolarHBondContact OE1-NH2 2.87Å; E545-L598 HydrophobicContact CB-CD1 4.01Å; E545-L598 HydrophobicContact CG-CD1 3.66Å
546	V	93.8	Very high	91.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-41.6	174.9	168.9	0	0	0	0	111.6	V481 K542 V543 K548 D550 I595 L598 L599	V481-V546 HydrophobicContact CG1-CG1 3.94Å; V481-V546 HydrophobicContact CG2-CG1 3.86Å; K542-V546 WeakPolarHBondContact O-CG2 3.18Å; K542-V546 PolarHBondContact O-N 3.25Å; V543-V546 PolarHBondContact O-N 2.72Å; V546-K548 VanDerWaalsContact C-N 3.35Å; V546-D550 VanDerWaalsContact O-CB 3.22Å; V546-D550 WeakPolarHBondContact O-CB 2.96Å; V546-D550 PolarHBondContact O-N 2.96Å; V546-I595 HydrophobicContact CG1-CG2 4.06Å; V546-L598 HydrophobicContact CG2-CB 3.68Å; V546-L598 HydrophobicContact CG2-CD1 3.95Å; V546-L598 HydrophobicContact CG2-CG 4.49Å; V546-L599 HydrophobicContact CG2-CD2 4.42Å
547	Q	93.2	Very high	91.7	Very high	34 Å²	34	42.3 Å²	42.3	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-39.3	175.2	-72.5	-167.9	31.8	0	0	112.6	I525 S526 V543 G544 E545 D550 G551	I525-Q547 HydrophobicContact CG2-CG 3.99Å; S526-Q547 PolarHBondContact OG-NE2 3.35Å; S526-Q547 PolarHBondContact OG-OE1 3.47Å; V543-Q547 WeakPolarHBondContact O-CG 3.24Å; V543-Q547 PolarHBondContact O-N 3.36Å; G544-Q547 PolarHBondContact O-N 3.09Å; E545-Q547 VanDerWaalsContact C-N 3.32Å; E545-Q547 PolarHBondContact O-N 3.45Å; Q547-D550 PolarHBondContact O-N 3.42Å; Q547-G551 PolarHBondContact O-N 3.22Å
548	K	94.4	Very high	91.9	Very high	149 Å²	149	42.8 Å²	42.8	65%	0.648	23%	0.228	S	C	*	.	H	α-helix	trans	-65.4	-46.5	178.4	-178.4	-179.1	177.2	-176.6	0	111.9	G544 E545 V546 D550 G551 Q552	G544-K548 PolarHBondContact O-N 3Å; G544-K548 VanDerWaalsContact O-N 3.09Å; E545-K548 WeakPolarHBondContact O-CB 3.27Å; E545-K548 PolarHBondContact O-N 3.43Å; E545-K548 VanDerWaalsContact O-N 3.11Å; V546-K548 VanDerWaalsContact C-N 3.35Å; K548-D550 VanDerWaalsContact C-N 3.33Å; K548-G551 PolarHBondContact O-N 3.22Å; K548-Q552 PolarHBondContact O-N 3.21Å
549	L	94.3	Very high	92.1	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-39.5	177.8	-66.5	173.8	0	0	0	111.3	E545 G551 Q552 V553 L591 R594 I595 L598	E545-L549 HydrophobicContact CG-CD1 4.3Å; E545-L549 HydrophobicContact CG-CG 4.49Å; E545-L549 WeakPolarHBondContact O-CG 3.41Å; E545-L549 PolarHBondContact O-N 3.4Å; L549-G551 PolarHBondContact O-N 3.02Å; L549-Q552 WeakPolarHBondContact O-CA 3.38Å; L549-Q552 WeakPolarHBondContact O-CB 3.29Å; L549-Q552 PolarHBondContact O-N 3.25Å; L549-Q552 VanDerWaalsContact O-N 3.09Å; L549-V553 PolarHBondContact O-N 3.4Å; L549-L591 HydrophobicContact CD2-CD2 3.87Å; L549-R594 HydrophobicContact CD1-CB 4.15Å; L549-R594 HydrophobicContact CD1-CG 3.64Å; L549-I595 HydrophobicContact CB-CD1 3.97Å; L549-I595 HydrophobicContact CB-CG1 3.65Å; L549-I595 HydrophobicContact CD1-CG1 4.09Å; L549-L598 HydrophobicContact CD1-CD1 3.56Å
550	D	93.9	Very high	92.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-37.6	177.3	175.8	88.4	0	0	0	113.3	R484 Y488 H518 V546 Q547 K548 Q552 V553 K554 I595	R484-D550 VanDerWaalsContact CD-CG 3.46Å; R484-D550 WeakPolarHBondContact CD-OD1 3.44Å; R484-D550 WeakPolarHBondContact CD-OD2 3.39Å; R484-D550 WeakPolarHBondContact CG-OD1 3.34Å; R484-D550 IonicContact CZ-OD1 3.15Å; R484-D550 IonicContact CZ-OD2 3.21Å; R484-D550 IonicContact NE-OD1 3.42Å; R484-D550 PolarHBondContact NE-OD1 3.49Å; R484-D550 IonicContact NE-OD2 3.14Å; R484-D550 PolarHBondContact NE-OD2 3.34Å; R484-D550 VanDerWaalsContact NE-OD2 3.08Å; R484-D550 IonicContact NH1-OD2 3.98Å; R484-D550 PolarHBondContact NH1-OD2 3.28Å; R484-D550 VanDerWaalsContact NH1-OD2 3.08Å; R484-D550 VanDerWaalsContact NH2-CG 3.31Å; R484-D550 IonicContact NH2-OD1 2.78Å; R484-D550 IonicContact NH2-OD2 3.64Å; Y488-D550 WeakPolarHBondContact CE2-OD1 3.37Å; Y488-D550 PolarHBondContact OH-O 2.88Å; Y488-D550 PolarHBondContact OH-OD1 2.96Å; Y488-D550 PolarHBondContact OH-OD2 2.89Å; H518-D550 IonicContact CD2-OD2 3.37Å; H518-D550 IonicContact CE1-OD2 3.89Å; H518-D550 IonicContact NE2-OD2 3.34Å; H518-D550 PolarHBondContact NE2-OD2 3.4Å; V546-D550 VanDerWaalsContact O-CB 3.22Å; V546-D550 WeakPolarHBondContact O-CB 2.96Å; V546-D550 PolarHBondContact O-N 2.96Å; Q547-D550 PolarHBondContact O-N 3.42Å; K548-D550 VanDerWaalsContact C-N 3.33Å; D550-Q552 PolarHBondContact O-N 2.95Å; D550-V553 WeakPolarHBondContact O-CA 3.4Å; D550-V553 WeakPolarHBondContact O-CB 3.5Å; D550-V553 PolarHBondContact O-N 3.19Å; D550-K554 PolarHBondContact O-N 3.05Å; D550-I595 HydrophobicContact CB-CD1 4.14Å
551	G	92.5	Very high	92	Very high	27 Å²	27	43 Å²	43	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	-55.3	-39.3	170.9	0	0	0	0	0	112	Q547 K548 L549 K554 D555	Q547-G551 PolarHBondContact O-N 3.22Å; K548-G551 PolarHBondContact O-N 3.22Å; L549-G551 PolarHBondContact O-N 3.02Å; G551-K554 PolarHBondContact O-N 3.2Å; G551-D555 PolarHBondContact O-N 3.37Å; G551-D555 VanDerWaalsContact O-N 3.09Å
552	Q	93.9	Very high	92	Very high	81 Å²	81	42.8 Å²	42.8	38%	0.379	22%	0.215	S	C	.	.	H	α-helix	trans	-69	-38.2	175.2	-60.4	175.1	-5.3	0	0	112.2	K548 L549 D550 D555 L556 L591	K548-Q552 PolarHBondContact O-N 3.21Å; L549-Q552 WeakPolarHBondContact O-CA 3.38Å; L549-Q552 WeakPolarHBondContact O-CB 3.29Å; L549-Q552 PolarHBondContact O-N 3.25Å; L549-Q552 VanDerWaalsContact O-N 3.09Å; D550-Q552 PolarHBondContact O-N 2.95Å; Q552-D555 PolarHBondContact O-N 3.3Å; Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 2.9Å; Q552-L591 HydrophobicContact CB-CD1 3.59Å; Q552-L591 VanDerWaalsContact OE1-CD2 3.25Å
553	V	92.6	Very high	91.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-46.8	174	173.5	0	0	0	0	110.7	Y488 L549 D550 D555 L556 V557 R588 L591 V592 I595	Y488-V553 HydrophobicContact CD2-CG1 3.4Å; Y488-V553 HydrophobicContact CE2-CB 4.06Å; Y488-V553 HydrophobicContact CE2-CG1 3.37Å; Y488-V553 HydrophobicContact CG-CG1 4.02Å; L549-V553 PolarHBondContact O-N 3.4Å; D550-V553 WeakPolarHBondContact O-CA 3.4Å; D550-V553 WeakPolarHBondContact O-CB 3.5Å; D550-V553 PolarHBondContact O-N 3.19Å; V553-D555 VanDerWaalsContact C-N 3.33Å; V553-D555 PolarHBondContact O-N 2.9Å; V553-L556 PolarHBondContact O-N 2.95Å; V553-V557 HydrophobicContact CG1-CG2 4.46Å; V553-V557 WeakPolarHBondContact O-CG2 3.38Å; V553-V557 PolarHBondContact O-N 2.69Å; V553-R588 HydrophobicContact CG1-CG 4.11Å; V553-L591 HydrophobicContact CG2-CB 3.56Å; V553-L591 HydrophobicContact CG2-CD1 4.08Å; V553-L591 HydrophobicContact CG2-CG 4.49Å; V553-V592 HydrophobicContact CG1-CG2 4.38Å; V553-V592 HydrophobicContact CG2-CG2 4.21Å; V553-I595 HydrophobicContact CG2-CD1 3.96Å
554	K	93	Very high	91.7	Very high	52 Å²	52	41 Å²	41	23%	0.226	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-46.1	175.7	178.6	-178	-177.5	175.2	0	111.9	Y488 H518 D550 G551 L556 V557 G558	Y488-K554 HydrophobicContact CE1-CB 3.96Å; Y488-K554 HydrophobicContact CE1-CG 4.45Å; H518-K554 VanDerWaalsContact CE1-CD 3.5Å; H518-K554 WeakPolarHBondContact CE1-CD 3.41Å; H518-K554 WeakPolarHBondContact ND1-CD 3.33Å; H518-K554 PolarHBondContact ND1-NZ 2.66Å; D550-K554 PolarHBondContact O-N 3.05Å; G551-K554 PolarHBondContact O-N 3.2Å; K554-L556 VanDerWaalsContact C-N 3.3Å; K554-L556 PolarHBondContact O-N 3.04Å; K554-V557 PolarHBondContact O-N 2.81Å; K554-G558 PolarHBondContact O-N 2.9Å
555	D	92.1	Very high	91.6	Very high	97 Å²	97	42.7 Å²	42.7	52%	0.519	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-39.7	178.8	-72.9	-15.8	0	0	0	111.6	G551 Q552 V553 G558 R559	G551-D555 PolarHBondContact O-N 3.37Å; G551-D555 VanDerWaalsContact O-N 3.09Å; Q552-D555 PolarHBondContact O-N 3.3Å; V553-D555 VanDerWaalsContact C-N 3.33Å; V553-D555 PolarHBondContact O-N 2.9Å; D555-G558 PolarHBondContact O-N 3.31Å; D555-R559 WeakPolarHBondContact O-CG 3.35Å; D555-R559 PolarHBondContact O-N 3.46Å
556	L	92.1	Very high	91.5	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-39.2	175.3	-68.3	179.1	0	0	0	112.6	Q552 V553 K554 G558 R559 S560 L584 K587 R588 L591	Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 2.9Å; V553-L556 PolarHBondContact O-N 2.95Å; K554-L556 VanDerWaalsContact C-N 3.3Å; K554-L556 PolarHBondContact O-N 3.04Å; L556-G558 VanDerWaalsContact C-N 3.33Å; L556-R559 PolarHBondContact O-N 3.15Å; L556-S560 PolarHBondContact O-N 2.9Å; L556-L584 HydrophobicContact CD2-CD2 3.78Å; L556-K587 HydrophobicContact CD1-CB 3.75Å; L556-R588 HydrophobicContact CD1-CB 4.2Å; L556-L591 HydrophobicContact CD1-CD1 3.71Å
557	V	90.2	Very high	91.3	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-41.9	173.5	172.5	0	0	0	0	110.5	Y488 M491 L514 V553 K554 R559 S560 C561	Y488-V557 HydrophobicContact CD1-CB 4.28Å; Y488-V557 HydrophobicContact CD1-CG1 4.35Å; Y488-V557 HydrophobicContact CD1-CG2 3.76Å; Y488-V557 HydrophobicContact CG-CG2 3.94Å; M491-V557 HydrophobicContact CB-CG1 3.98Å; L514-V557 HydrophobicContact CD2-CG1 4.14Å; V553-V557 HydrophobicContact CG1-CG2 4.46Å; V553-V557 WeakPolarHBondContact O-CG2 3.38Å; V553-V557 PolarHBondContact O-N 2.69Å; K554-V557 PolarHBondContact O-N 2.81Å; V557-R559 VanDerWaalsContact C-N 3.34Å; V557-R559 PolarHBondContact O-N 3.39Å; V557-S560 PolarHBondContact O-N 3.34Å; V557-C561 PolarHBondContact O-N 3.09Å
558	G	89.6	Confident	91.1	Very high	28 Å²	28	46.8 Å²	46.8	29%	0.289	23%	0.228	S	C	.	.	H	α-helix	trans	-59.9	-41.3	172.8	0	0	0	0	0	112.9	K554 D555 L556 C561 Q562	K554-G558 PolarHBondContact O-N 2.9Å; D555-G558 PolarHBondContact O-N 3.31Å; L556-G558 VanDerWaalsContact C-N 3.33Å; G558-C561 WeakPolarHBondContact O-CB 3.38Å; G558-C561 PolarHBondContact O-N 3.14Å; G558-Q562 WeakPolarHBondContact O-CG 3.48Å; G558-Q562 PolarHBondContact O-N 3.36Å; G558-Q562 VanDerWaalsContact O-N 3.09Å
559	R	90.1	Very high	90.8	Very high	138 Å²	138	42.7 Å²	42.7	52%	0.521	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-41	175.3	-71.2	176.3	-168.1	178.7	4.9	112.8	D555 L556 V557 C561 Q562 E563 L584	D555-R559 WeakPolarHBondContact O-CG 3.35Å; D555-R559 PolarHBondContact O-N 3.46Å; L556-R559 PolarHBondContact O-N 3.15Å; V557-R559 VanDerWaalsContact C-N 3.34Å; V557-R559 PolarHBondContact O-N 3.39Å; R559-C561 VanDerWaalsContact C-N 3.3Å; R559-C561 PolarHBondContact O-N 3.17Å; R559-Q562 PolarHBondContact O-N 2.78Å; R559-E563 PolarHBondContact O-N 3.04Å; R559-L584 HydrophobicContact CB-CD1 4.13Å; R559-L584 HydrophobicContact CB-CD2 4.16Å
560	S	88.9	Confident	90.4	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-41.1	175	168.8	0	0	0	0	111.2	L556 V557 Q562 E563 A564 E581	L556-S560 PolarHBondContact O-N 2.9Å; V557-S560 PolarHBondContact O-N 3.34Å; S560-Q562 PolarHBondContact O-N 2.89Å; S560-E563 PolarHBondContact O-N 2.98Å; S560-A564 PolarHBondContact O-N 3.4Å; S560-E581 VanDerWaalsContact OG-CD 3.32Å; S560-E581 PolarHBondContact OG-OE1 2.93Å; S560-E581 PolarHBondContact OG-OE2 2.83Å
561	C	88.8	Confident	90.1	Very high	4 Å²	4	53 Å²	53	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-46.2	173	-173.3	0	0	0	0	112.2	V495 V557 G558 R559 A564 E565	V495-C561 HydrophobicContact CG2-CB 4.13Å; V557-C561 PolarHBondContact O-N 3.09Å; G558-C561 WeakPolarHBondContact O-CB 3.38Å; G558-C561 PolarHBondContact O-N 3.14Å; R559-C561 VanDerWaalsContact C-N 3.3Å; R559-C561 PolarHBondContact O-N 3.17Å; C561-A564 WeakPolarHBondContact O-CB 3.39Å; C561-A564 PolarHBondContact O-N 3.43Å; C561-E565 PolarHBondContact O-N 3.1Å; C561-E565 VanDerWaalsContact O-N 3.07Å
562	Q	90	Very high	90	Very high	110 Å²	110	52.8 Å²	52.8	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-40.1	177.9	-71.2	173.1	4.1	0	0	112.6	G558 R559 S560 A564 E565 R566	G558-Q562 WeakPolarHBondContact O-CG 3.48Å; G558-Q562 PolarHBondContact O-N 3.36Å; G558-Q562 VanDerWaalsContact O-N 3.09Å; R559-Q562 PolarHBondContact O-N 2.78Å; S560-Q562 PolarHBondContact O-N 2.89Å; Q562-A564 VanDerWaalsContact C-N 3.31Å; Q562-A564 PolarHBondContact O-N 2.94Å; Q562-E565 PolarHBondContact O-N 3.28Å; Q562-R566 WeakPolarHBondContact O-CG 3.31Å; Q562-R566 PolarHBondContact O-N 3.36Å
563	E	89	Confident	89.8	Confident	23 Å²	23	57.1 Å²	57.1	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-35.6	176.1	-73.6	-64	121.2	0	0	111.6	R559 S560 R566 L567 Y577 N580 L584	R559-E563 PolarHBondContact O-N 3.04Å; S560-E563 PolarHBondContact O-N 2.98Å; E563-R566 PolarHBondContact O-N 2.94Å; E563-R566 WeakPolarHBondContact OE1-CD 3.1Å; E563-R566 IonicContact OE1-CZ 3.71Å; E563-R566 IonicContact OE1-NE 3.95Å; E563-R566 IonicContact OE1-NH1 2.77Å; E563-R566 PolarHBondContact OE1-NH1 3.36Å; E563-L567 PolarHBondContact O-N 3.1Å; E563-Y577 HydrophobicContact CB-CD2 4.07Å; E563-Y577 HydrophobicContact CB-CE2 4.01Å; E563-N580 PolarHBondContact OE2-ND2 3.48Å; E563-L584 HydrophobicContact CG-CD1 4.28Å
564	A	88.6	Confident	89.5	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-40.5	173.3	0	0	0	0	0	112.4	V495 K499 S560 C561 Q562 L567 V568 Y577	V495-A564 HydrophobicContact CG1-CB 3.51Å; K499-A564 HydrophobicContact CD-CB 4.4Å; K499-A564 HydrophobicContact CG-CB 4.28Å; S560-A564 PolarHBondContact O-N 3.4Å; C561-A564 WeakPolarHBondContact O-CB 3.39Å; C561-A564 PolarHBondContact O-N 3.43Å; Q562-A564 VanDerWaalsContact C-N 3.31Å; Q562-A564 PolarHBondContact O-N 2.94Å; A564-L567 PolarHBondContact O-N 3.36Å; A564-V568 WeakPolarHBondContact O-CG2 3.22Å; A564-V568 PolarHBondContact O-N 3.48Å; A564-Y577 HydrophobicContact CB-CE2 4.37Å
565	E	90	Very high	89.3	Confident	59 Å²	59	69.3 Å²	69.3	28%	0.276	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-42.4	171.9	-69.6	179.3	147.5	0	0	111.8	Y498 L507 C561 Q562 L567 V568 A569	Y498-E565 HydrophobicContact CE1-CG 4.09Å; L507-E565 HydrophobicContact CD2-CG 3.55Å; L507-E565 WeakPolarHBondContact CD2-OE1 3.24Å; C561-E565 PolarHBondContact O-N 3.1Å; C561-E565 VanDerWaalsContact O-N 3.07Å; Q562-E565 PolarHBondContact O-N 3.28Å; E565-L567 PolarHBondContact O-N 2.87Å; E565-V568 PolarHBondContact O-N 3.27Å; E565-A569 WeakPolarHBondContact O-CB 3.45Å; E565-A569 PolarHBondContact O-N 2.95Å
566	R	90.6	Very high	89.1	Confident	111 Å²	111	66.7 Å²	66.7	42%	0.419	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-37.4	176.9	-70	177	73	-172.1	5.2	112.5	Q562 E563 G570 K571 V572	Q562-R566 WeakPolarHBondContact O-CG 3.31Å; Q562-R566 PolarHBondContact O-N 3.36Å; E563-R566 PolarHBondContact O-N 2.94Å; E563-R566 WeakPolarHBondContact OE1-CD 3.1Å; E563-R566 IonicContact OE1-CZ 3.71Å; E563-R566 IonicContact OE1-NE 3.95Å; E563-R566 IonicContact OE1-NH1 2.77Å; E563-R566 PolarHBondContact OE1-NH1 3.36Å; R566-G570 PolarHBondContact O-N 3.36Å; R566-K571 HydrophobicContact CB-CB 4.33Å; R566-K571 PolarHBondContact O-N 2.94Å; R566-V572 HydrophobicContact CB-CB 4.43Å; R566-V572 HydrophobicContact CB-CG2 3.82Å; R566-V572 PolarHBondContact O-N 3.48Å
567	L	90.4	Very high	89	Confident	44 Å²	44	66.7 Å²	66.7	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-52.1	174.1	177.1	70.8	0	0	0	111.2	K499 E563 A564 E565 A569 G570 Y577	K499-L567 HydrophobicContact CD-CD2 4.35Å; E563-L567 PolarHBondContact O-N 3.1Å; A564-L567 PolarHBondContact O-N 3.36Å; E565-L567 PolarHBondContact O-N 2.87Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 3.21Å; L567-G570 PolarHBondContact O-N 3.46Å; L567-Y577 HydrophobicContact CB-CD2 3.93Å; L567-Y577 HydrophobicContact CB-CE2 4.41Å; L567-Y577 HydrophobicContact CB-CG 4.1Å; L567-Y577 HydrophobicContact CD1-CD1 4.45Å; L567-Y577 HydrophobicContact CD1-CG 4.15Å; L567-Y577 HydrophobicContact CD2-CD1 3.62Å; L567-Y577 HydrophobicContact CD2-CD2 4.22Å; L567-Y577 HydrophobicContact CD2-CE1 3.77Å; L567-Y577 HydrophobicContact CD2-CE2 4.38Å; L567-Y577 HydrophobicContact CD2-CG 3.84Å; L567-Y577 HydrophobicContact CG-CD1 4.46Å; L567-Y577 HydrophobicContact CG-CG 4.24Å
568	V	88.1	Confident	88.9	Confident	34 Å²	34	70.7 Å²	70.7	21%	0.206	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-35.2	-178	174.4	0	0	0	0	111.6	Y498 K499 R502 A564 E565 G570	Y498-V568 HydrophobicContact CD1-CG2 4.17Å; Y498-V568 HydrophobicContact CE1-CB 3.9Å; Y498-V568 HydrophobicContact CE1-CG1 4.37Å; Y498-V568 HydrophobicContact CE1-CG2 3.64Å; K499-V568 HydrophobicContact CG-CG2 4.41Å; R502-V568 HydrophobicContact CB-CG1 4.22Å; R502-V568 HydrophobicContact CG-CG1 3.84Å; A564-V568 WeakPolarHBondContact O-CG2 3.22Å; A564-V568 PolarHBondContact O-N 3.48Å; E565-V568 PolarHBondContact O-N 3.27Å; V568-G570 PolarHBondContact O-N 3.46Å
569	A	88	Confident	89	Confident	62 Å²	62	74.1 Å²	74.1	51%	0.512	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	0.4	174.4	0	0	0	0	0	114.3	E565 L567 K571	E565-A569 WeakPolarHBondContact O-CB 3.45Å; E565-A569 PolarHBondContact O-N 2.95Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 3.21Å; A569-K571 HydrophobicContact CB-CD 4.27Å; A569-K571 HydrophobicContact CB-CG 4.12Å; A569-K571 PolarHBondContact O-N 3.09Å
570	G	85.2	Confident	89	Confident	65 Å²	65	70.8 Å²	70.8	67%	0.67	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	13.4	-179.7	0	0	0	0	0	114.8	R566 L567 V568 V572	R566-G570 PolarHBondContact O-N 3.36Å; L567-G570 PolarHBondContact O-N 3.46Å; V568-G570 PolarHBondContact O-N 3.46Å; G570-V572 VanDerWaalsContact C-N 3.34Å
571	K	88.5	Confident	89	Confident	160 Å²	160	72.3 Å²	72.3	70%	0.696	37%	0.373	S	S	*	.	S	Bend	trans	-82.4	-10.6	-177.8	-64.5	-178.6	179	177.6	0	113.4	R566 A569	R566-K571 HydrophobicContact CB-CB 4.33Å; R566-K571 PolarHBondContact O-N 2.94Å; A569-K571 HydrophobicContact CB-CD 4.27Å; A569-K571 HydrophobicContact CB-CG 4.12Å; A569-K571 PolarHBondContact O-N 3.09Å
572	V	89.4	Confident	89.1	Confident	22 Å²	22	79.6 Å²	79.6	13%	0.133	40%	0.404	C	S	.	.	S	Bend	trans	-137.5	137.1	178.3	173.9	0	0	0	0	108.9	R566 G570 A576	R566-V572 HydrophobicContact CB-CB 4.43Å; R566-V572 HydrophobicContact CB-CG2 3.82Å; R566-V572 PolarHBondContact O-N 3.48Å; G570-V572 VanDerWaalsContact C-N 3.34Å; V572-A576 HydrophobicContact CG1-CB 3.9Å
573	K	90	Very high	89.2	Confident	172 Å²	172	77.9 Å²	77.9	75%	0.748	40%	0.401	S	S	*	.			trans	-69.2	147.6	175.1	-68	-176.2	179.1	-179.1	0	110.4	E575 A576 Y577	K573-E575 VanDerWaalsContact C-N 3.28Å; K573-E575 PolarHBondContact O-N 3.44Å; K573-A576 PolarHBondContact O-N 3.33Å; K573-A576 VanDerWaalsContact O-N 3.11Å; K573-Y577 PolarHBondContact O-N 3.35Å
574	K	87.7	Confident	89.3	Confident	157 Å²	157	77.9 Å²	77.9	68%	0.683	40%	0.402	S	S	*	.	H	α-helix	trans	-53.1	-42.2	-177.5	-172.6	178.3	178.4	-177.2	0	113.4	Y577 I578	K574-Y577 PolarHBondContact O-N 2.89Å; K574-I578 HydrophobicContact CG-CD1 4.11Å; K574-I578 VanDerWaalsContact O-CG1 3.31Å; K574-I578 WeakPolarHBondContact O-CG1 3.37Å; K574-I578 PolarHBondContact O-N 3.49Å; K574-I578 VanDerWaalsContact O-N 3.09Å
575	E	88.1	Confident	89.3	Confident	150 Å²	150	79.7 Å²	79.7	70%	0.701	42%	0.417	S	S	*	.	H	α-helix	trans	-62.1	-48.8	178	-69	167.7	179.9	0	0	111.8	K573 Y577 I578 D579	K573-E575 VanDerWaalsContact C-N 3.28Å; K573-E575 PolarHBondContact O-N 3.44Å; E575-Y577 VanDerWaalsContact C-N 3.32Å; E575-Y577 PolarHBondContact O-N 3.01Å; E575-I578 PolarHBondContact O-N 3.05Å; E575-I578 VanDerWaalsContact O-N 3.14Å; E575-D579 PolarHBondContact O-N 2.72Å; E575-D579 VanDerWaalsContact O-N 3.1Å
576	A	88.2	Confident	89.4	Confident	43 Å²	43	80.6 Å²	80.6	36%	0.355	43%	0.43	S	S	.	.	H	α-helix	trans	-63.6	-34.6	178.2	0	0	0	0	0	113	V572 K573 N580	V572-A576 HydrophobicContact CG1-CB 3.9Å; K573-A576 PolarHBondContact O-N 3.33Å; K573-A576 VanDerWaalsContact O-N 3.11Å; A576-N580 WeakPolarHBondContact O-CB 3.44Å; A576-N580 VanDerWaalsContact O-CG 3.24Å; A576-N580 PolarHBondContact O-N 2.9Å
577	Y	89.9	Confident	89.6	Confident	13 Å²	13	80.5 Å²	80.5	5%	0.051	43%	0.433	C	S	.	.	H	α-helix	trans	-65.3	-43.4	172.9	170.3	-96.3	0	0	0	111.9	K499 E563 A564 L567 K573 K574 E575 D579 N580 E581	K499-Y577 HydrophobicContact CD-CE1 4.41Å; K499-Y577 PolarHBondContact NZ-OH 3.08Å; E563-Y577 HydrophobicContact CB-CD2 4.07Å; E563-Y577 HydrophobicContact CB-CE2 4.01Å; A564-Y577 HydrophobicContact CB-CE2 4.37Å; L567-Y577 HydrophobicContact CB-CD2 3.93Å; L567-Y577 HydrophobicContact CB-CE2 4.41Å; L567-Y577 HydrophobicContact CB-CG 4.1Å; L567-Y577 HydrophobicContact CD1-CD1 4.45Å; L567-Y577 HydrophobicContact CD1-CG 4.15Å; L567-Y577 HydrophobicContact CD2-CD1 3.62Å; L567-Y577 HydrophobicContact CD2-CD2 4.22Å; L567-Y577 HydrophobicContact CD2-CE1 3.77Å; L567-Y577 HydrophobicContact CD2-CE2 4.38Å; L567-Y577 HydrophobicContact CD2-CG 3.84Å; L567-Y577 HydrophobicContact CG-CD1 4.46Å; L567-Y577 HydrophobicContact CG-CG 4.24Å; K573-Y577 PolarHBondContact O-N 3.35Å; K574-Y577 PolarHBondContact O-N 2.89Å; E575-Y577 VanDerWaalsContact C-N 3.32Å; E575-Y577 PolarHBondContact O-N 3.01Å; Y577-D579 VanDerWaalsContact C-N 3.31Å; Y577-D579 PolarHBondContact O-N 3.36Å; Y577-N580 PolarHBondContact O-N 3.2Å; Y577-E581 HydrophobicContact CE1-CB 4.33Å; Y577-E581 HydrophobicContact CE2-CB 4.47Å; Y577-E581 VanDerWaalsContact O-CB 3.24Å; Y577-E581 WeakPolarHBondContact O-CB 3.43Å; Y577-E581 PolarHBondContact O-N 2.77Å
578	I	88.6	Confident	89.6	Confident	88 Å²	88	80.4 Å²	80.4	45%	0.451	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-42.4	179.5	-69.8	166	0	0	0	110.4	K574 E575 K582	K574-I578 HydrophobicContact CG-CD1 4.11Å; K574-I578 VanDerWaalsContact O-CG1 3.31Å; K574-I578 WeakPolarHBondContact O-CG1 3.37Å; K574-I578 PolarHBondContact O-N 3.49Å; K574-I578 VanDerWaalsContact O-N 3.09Å; E575-I578 PolarHBondContact O-N 3.05Å; E575-I578 VanDerWaalsContact O-N 3.14Å; I578-K582 VanDerWaalsContact O-CB 3.24Å; I578-K582 WeakPolarHBondContact O-CB 3.41Å; I578-K582 PolarHBondContact O-N 3.48Å
579	D	90.6	Very high	89.8	Confident	100 Å²	100	84.2 Å²	84.2	54%	0.535	45%	0.448	S	S	.	.	H	α-helix	trans	-67.5	-41.8	177.9	-69.8	-23.9	0	0	0	112.5	E575 Y577 T583	E575-D579 PolarHBondContact O-N 2.72Å; E575-D579 VanDerWaalsContact O-N 3.1Å; Y577-D579 VanDerWaalsContact C-N 3.31Å; Y577-D579 PolarHBondContact O-N 3.36Å; D579-T583 PolarHBondContact O-N 3.35Å; D579-T583 VanDerWaalsContact O-N 3.08Å; D579-T583 PolarHBondContact O-OG1 3.17Å
580	N	89.8	Confident	90.1	Very high	68 Å²	68	87.8 Å²	87.8	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-63.8	-46.9	175.5	-76.1	-9.8	0	0	0	111.7	E563 A576 Y577 T583 L584	E563-N580 PolarHBondContact OE2-ND2 3.48Å; A576-N580 WeakPolarHBondContact O-CB 3.44Å; A576-N580 VanDerWaalsContact O-CG 3.24Å; A576-N580 PolarHBondContact O-N 2.9Å; Y577-N580 PolarHBondContact O-N 3.2Å; N580-T583 WeakPolarHBondContact O-CB 3.49Å; N580-T583 PolarHBondContact O-N 3.47Å; N580-L584 WeakPolarHBondContact O-CG 3.48Å; N580-L584 PolarHBondContact O-N 3.35Å
581	E	89.3	Confident	90.4	Very high	34 Å²	34	85.9 Å²	85.9	16%	0.159	43%	0.428	C	S	.	.	H	α-helix	trans	-65.6	-40.1	-179.6	-172.2	65.4	-176.6	0	0	111.2	S560 Y577 T583 L584 A585	S560-E581 VanDerWaalsContact OG-CD 3.32Å; S560-E581 PolarHBondContact OG-OE1 2.93Å; S560-E581 PolarHBondContact OG-OE2 2.83Å; Y577-E581 HydrophobicContact CE1-CB 4.33Å; Y577-E581 HydrophobicContact CE2-CB 4.47Å; Y577-E581 VanDerWaalsContact O-CB 3.24Å; Y577-E581 WeakPolarHBondContact O-CB 3.43Å; Y577-E581 PolarHBondContact O-N 2.77Å; E581-T583 VanDerWaalsContact C-N 3.28Å; E581-T583 PolarHBondContact O-N 2.99Å; E581-L584 PolarHBondContact O-N 2.92Å; E581-A585 WeakPolarHBondContact O-CB 3.42Å; E581-A585 PolarHBondContact O-N 3.41Å
582	K	90.8	Very high	90.6	Very high	156 Å²	156	79.5 Å²	79.5	68%	0.678	40%	0.402	S	S	*	.	H	α-helix	trans	-59.5	-41.3	173.3	-174.2	178.8	-179.9	-177.4	0	111.5	I578 S586	I578-K582 VanDerWaalsContact O-CB 3.24Å; I578-K582 WeakPolarHBondContact O-CB 3.41Å; I578-K582 PolarHBondContact O-N 3.48Å; K582-S586 WeakPolarHBondContact O-CB 3.41Å; K582-S586 PolarHBondContact O-N 3.04Å
583	T	92.2	Very high	90.7	Very high	74 Å²	74	82.3 Å²	82.3	45%	0.454	42%	0.42	S	S	.	.	H	α-helix	trans	-67.5	-44	177.7	-56.6	0	0	0	0	111.8	D579 N580 E581 K587	D579-T583 PolarHBondContact O-N 3.35Å; D579-T583 VanDerWaalsContact O-N 3.08Å; D579-T583 PolarHBondContact O-OG1 3.17Å; N580-T583 WeakPolarHBondContact O-CB 3.49Å; N580-T583 PolarHBondContact O-N 3.47Å; E581-T583 VanDerWaalsContact C-N 3.28Å; E581-T583 PolarHBondContact O-N 2.99Å; T583-K587 WeakPolarHBondContact O-CG 3.47Å; T583-K587 PolarHBondContact O-N 3.11Å; T583-K587 VanDerWaalsContact O-N 3.15Å
584	L	90.8	Very high	90.9	Very high	24 Å²	24	80.2 Å²	80.2	13%	0.126	41%	0.407	C	S	.	.	H	α-helix	trans	-66.5	-43.6	177.6	-69.7	174.3	0	0	0	111.8	L556 R559 E563 N580 E581 K587 R588	L556-L584 HydrophobicContact CD2-CD2 3.78Å; R559-L584 HydrophobicContact CB-CD1 4.13Å; R559-L584 HydrophobicContact CB-CD2 4.16Å; E563-L584 HydrophobicContact CG-CD1 4.28Å; N580-L584 WeakPolarHBondContact O-CG 3.48Å; N580-L584 PolarHBondContact O-N 3.35Å; E581-L584 PolarHBondContact O-N 2.92Å; L584-K587 PolarHBondContact O-N 3.21Å; L584-R588 WeakPolarHBondContact O-CB 3.39Å; L584-R588 PolarHBondContact O-N 3.16Å
585	A	89.3	Confident	91.1	Very high	38 Å²	38	72.7 Å²	72.7	31%	0.314	38%	0.375	S	S	.	.	H	α-helix	trans	-63.6	-41.6	177.3	0	0	0	0	0	111.9	E581 R588 L589	E581-A585 WeakPolarHBondContact O-CB 3.42Å; E581-A585 PolarHBondContact O-N 3.41Å; A585-R588 PolarHBondContact O-N 3.07Å; A585-L589 WeakPolarHBondContact O-CB 3.38Å; A585-L589 PolarHBondContact O-N 2.94Å
586	S	92.6	Very high	91.2	Very high	78 Å²	78	68.5 Å²	68.5	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-44.8	175.6	-171.7	0	0	0	0	112	K582 L589 E590	K582-S586 WeakPolarHBondContact O-CB 3.41Å; K582-S586 PolarHBondContact O-N 3.04Å; S586-L589 PolarHBondContact O-N 3.27Å; S586-E590 PolarHBondContact O-N 3.14Å
587	K	93.4	Very high	91.4	Very high	109 Å²	109	69.4 Å²	69.4	47%	0.474	36%	0.36	S	S	.	.	H	α-helix	trans	-66.7	-37.6	177.1	-72.5	178.9	179.5	-178.1	0	112.2	L556 T583 L584 E590 L591	L556-K587 HydrophobicContact CD1-CB 3.75Å; T583-K587 WeakPolarHBondContact O-CG 3.47Å; T583-K587 PolarHBondContact O-N 3.11Å; T583-K587 VanDerWaalsContact O-N 3.15Å; L584-K587 PolarHBondContact O-N 3.21Å; K587-E590 PolarHBondContact O-N 3.38Å; K587-L591 WeakPolarHBondContact O-CG 3.42Å; K587-L591 PolarHBondContact O-N 3.5Å; K587-L591 VanDerWaalsContact O-N 3.12Å
588	R	91.4	Very high	91.3	Very high	41 Å²	41	69.8 Å²	69.8	16%	0.155	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-44.9	175.6	-177	172	67.3	-163.4	5.4	110.9	D492 V553 L556 L584 A585 E590 L591 V592	D492-R588 VanDerWaalsContact CG-NH2 3.29Å; D492-R588 IonicContact OD1-CZ 3.8Å; D492-R588 IonicContact OD1-NH1 2.77Å; D492-R588 PolarHBondContact OD1-NH1 3.39Å; D492-R588 IonicContact OD1-NH2 3.04Å; D492-R588 PolarHBondContact OD1-NH2 3.01Å; D492-R588 IonicContact OD2-CZ 3.91Å; D492-R588 IonicContact OD2-NH1 2.69Å; D492-R588 PolarHBondContact OD2-NH1 2.9Å; D492-R588 IonicContact OD2-NH2 3.61Å; D492-R588 PolarHBondContact OD2-NH2 2.95Å; V553-R588 HydrophobicContact CG1-CG 4.11Å; L556-R588 HydrophobicContact CD1-CB 4.2Å; L584-R588 WeakPolarHBondContact O-CB 3.39Å; L584-R588 PolarHBondContact O-N 3.16Å; A585-R588 PolarHBondContact O-N 3.07Å; R588-E590 VanDerWaalsContact C-N 3.35Å; R588-L591 PolarHBondContact O-N 3.3Å; R588-V592 HydrophobicContact CG-CG2 4.4Å; R588-V592 VanDerWaalsContact O-CG2 3.31Å; R588-V592 WeakPolarHBondContact O-CG2 3.5Å; R588-V592 PolarHBondContact O-N 3.49Å
589	L	91.7	Very high	91.3	Very high	114 Å²	114	66 Å²	66	60%	0.597	34%	0.344	S	S	*	.	H	α-helix	trans	-60.2	-45.6	177.2	-176.9	62.7	0	0	0	111.1	A585 S586 L591 V592 T593	A585-L589 WeakPolarHBondContact O-CB 3.38Å; A585-L589 PolarHBondContact O-N 2.94Å; S586-L589 PolarHBondContact O-N 3.27Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-L591 PolarHBondContact O-N 3.05Å; L589-V592 PolarHBondContact O-N 3.28Å; L589-T593 WeakPolarHBondContact O-CB 3.39Å; L589-T593 PolarHBondContact O-N 3.07Å; L589-T593 PolarHBondContact O-OG1 3.35Å
590	E	94	Very high	91.2	Very high	138 Å²	138	68 Å²	68	65%	0.645	35%	0.354	S	S	*	.	H	α-helix	trans	-57	-45.4	176.2	-173.9	-175.2	171.1	0	0	112.5	S586 K587 R588 T593 R594	S586-E590 PolarHBondContact O-N 3.14Å; K587-E590 PolarHBondContact O-N 3.38Å; R588-E590 VanDerWaalsContact C-N 3.35Å; E590-T593 PolarHBondContact O-N 3.25Å; E590-R594 PolarHBondContact O-N 3.3Å
591	L	92.9	Very high	90.9	Very high	25 Å²	25	68 Å²	68	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-39.7	178.2	-70.5	175.1	0	0	0	112.7	L549 Q552 V553 L556 K587 R588 L589 R594 I595	L549-L591 HydrophobicContact CD2-CD2 3.87Å; Q552-L591 HydrophobicContact CB-CD1 3.59Å; Q552-L591 VanDerWaalsContact OE1-CD2 3.25Å; V553-L591 HydrophobicContact CG2-CB 3.56Å; V553-L591 HydrophobicContact CG2-CD1 4.08Å; V553-L591 HydrophobicContact CG2-CG 4.49Å; L556-L591 HydrophobicContact CD1-CD1 3.71Å; K587-L591 WeakPolarHBondContact O-CG 3.42Å; K587-L591 PolarHBondContact O-N 3.5Å; K587-L591 VanDerWaalsContact O-N 3.12Å; R588-L591 PolarHBondContact O-N 3.3Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-L591 PolarHBondContact O-N 3.05Å; L591-R594 PolarHBondContact O-N 2.98Å; L591-I595 WeakPolarHBondContact O-CG1 3.37Å; L591-I595 PolarHBondContact O-N 3.3Å
592	V	91.8	Very high	90.4	Very high	25 Å²	25	69.1 Å²	69.1	15%	0.152	36%	0.364	C	S	.	.	H	α-helix	trans	-64.9	-44.9	175.9	172.2	0	0	0	0	110.3	L485 V553 R588 L589 R594 I595 D596	L485-V592 HydrophobicContact CD2-CG1 4.43Å; L485-V592 HydrophobicContact CD2-CG2 4.11Å; V553-V592 HydrophobicContact CG1-CG2 4.38Å; V553-V592 HydrophobicContact CG2-CG2 4.21Å; R588-V592 HydrophobicContact CG-CG2 4.4Å; R588-V592 VanDerWaalsContact O-CG2 3.31Å; R588-V592 WeakPolarHBondContact O-CG2 3.5Å; R588-V592 PolarHBondContact O-N 3.49Å; L589-V592 PolarHBondContact O-N 3.28Å; V592-R594 PolarHBondContact O-N 2.94Å; V592-I595 CarbonylContact O-C 3.59Å; V592-I595 WeakPolarHBondContact O-CA 3.47Å; V592-I595 WeakPolarHBondContact O-CB 3.49Å; V592-I595 PolarHBondContact O-N 2.91Å; V592-D596 PolarHBondContact O-N 3.49Å
593	T	92.6	Very high	90.4	Very high	82 Å²	82	64.8 Å²	64.8	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-36	175.2	-56.3	0	0	0	0	112.1	L589 E590 S597	L589-T593 WeakPolarHBondContact O-CB 3.39Å; L589-T593 PolarHBondContact O-N 3.07Å; L589-T593 PolarHBondContact O-OG1 3.35Å; E590-T593 PolarHBondContact O-N 3.25Å; T593-S597 PolarHBondContact O-N 2.84Å; T593-S597 PolarHBondContact O-OG 3.47Å
594	R	93.3	Very high	90.3	Very high	127 Å²	127	64.3 Å²	64.3	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-72.7	-33	175.1	-170.7	178.6	171.2	163	0.5	112.8	E545 L549 E590 L591 V592 S597 L598	E545-R594 IonicContact OE1-CZ 3.19Å; E545-R594 IonicContact OE1-NE 2.7Å; E545-R594 PolarHBondContact OE1-NE 3.01Å; E545-R594 IonicContact OE1-NH2 3.21Å; E545-R594 PolarHBondContact OE1-NH2 2.87Å; L549-R594 HydrophobicContact CD1-CB 4.15Å; L549-R594 HydrophobicContact CD1-CG 3.64Å; E590-R594 PolarHBondContact O-N 3.3Å; L591-R594 PolarHBondContact O-N 2.98Å; V592-R594 PolarHBondContact O-N 2.94Å; R594-S597 PolarHBondContact O-OG 3.4Å; R594-S597 VanDerWaalsContact O-OG 3.04Å; R594-L598 WeakPolarHBondContact O-CG 3.18Å; R594-L598 PolarHBondContact O-N 2.85Å
595	I	91.9	Very high	90.3	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-47.8	171.3	-71.6	165	0	0	0	109.1	V481 L485 V546 L549 D550 V553 L591 V592 S597 L598 L599	V481-I595 HydrophobicContact CG1-CG2 4.03Å; L485-I595 HydrophobicContact CD1-CG2 4.4Å; L485-I595 HydrophobicContact CD2-CD1 4.47Å; V546-I595 HydrophobicContact CG1-CG2 4.06Å; L549-I595 HydrophobicContact CB-CD1 3.97Å; L549-I595 HydrophobicContact CB-CG1 3.65Å; L549-I595 HydrophobicContact CD1-CG1 4.09Å; D550-I595 HydrophobicContact CB-CD1 4.14Å; V553-I595 HydrophobicContact CG2-CD1 3.96Å; L591-I595 WeakPolarHBondContact O-CG1 3.37Å; L591-I595 PolarHBondContact O-N 3.3Å; V592-I595 CarbonylContact O-C 3.59Å; V592-I595 WeakPolarHBondContact O-CA 3.47Å; V592-I595 WeakPolarHBondContact O-CB 3.49Å; V592-I595 PolarHBondContact O-N 2.91Å; I595-S597 VanDerWaalsContact C-N 3.34Å; I595-S597 PolarHBondContact O-N 3.43Å; I595-L598 WeakPolarHBondContact O-CB 3.42Å; I595-L598 PolarHBondContact O-N 3.34Å; I595-L598 VanDerWaalsContact O-N 3.09Å; I595-L599 HydrophobicContact CG2-CD1 3.94Å; I595-L599 HydrophobicContact CG2-CG 4.19Å; I595-L599 VanDerWaalsContact O-CG 3.31Å; I595-L599 WeakPolarHBondContact O-CG 3.32Å; I595-L599 PolarHBondContact O-N 3.04Å
596	D	90.7	Very high	90.3	Very high	62 Å²	62	68.2 Å²	68.2	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-43.7	179.4	-66.5	-22.6	0	0	0	111.3	V592 L598 L599 D600	V592-D596 PolarHBondContact O-N 3.49Å; D596-L598 VanDerWaalsContact C-N 3.29Å; D596-L598 PolarHBondContact O-N 3.02Å; D596-L599 WeakPolarHBondContact O-CB 3.35Å; D596-L599 PolarHBondContact O-N 3.36Å; D596-L599 VanDerWaalsContact O-N 3.14Å; D596-D600 PolarHBondContact O-N 2.94Å
597	S	91.4	Very high	90.2	Very high	61 Å²	61	67.6 Å²	67.6	43%	0.427	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-29.3	176.6	70.8	0	0	0	0	113.8	T593 R594 I595 T601	T593-S597 PolarHBondContact O-N 2.84Å; T593-S597 PolarHBondContact O-OG 3.47Å; R594-S597 PolarHBondContact O-OG 3.4Å; R594-S597 VanDerWaalsContact O-OG 3.04Å; I595-S597 VanDerWaalsContact C-N 3.34Å; I595-S597 PolarHBondContact O-N 3.43Å; S597-T601 WeakPolarHBondContact O-CG2 3.4Å
598	L	89.4	Confident	90	Very high	22 Å²	22	64.8 Å²	64.8	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-73.3	-40.9	172	-74.1	169.7	0	0	0	111.3	E545 V546 L549 R594 I595 D596 D600 T601 L602	E545-L598 HydrophobicContact CB-CD1 4.01Å; E545-L598 HydrophobicContact CG-CD1 3.66Å; V546-L598 HydrophobicContact CG2-CB 3.68Å; V546-L598 HydrophobicContact CG2-CD1 3.95Å; V546-L598 HydrophobicContact CG2-CG 4.49Å; L549-L598 HydrophobicContact CD1-CD1 3.56Å; R594-L598 WeakPolarHBondContact O-CG 3.18Å; R594-L598 PolarHBondContact O-N 2.85Å; I595-L598 WeakPolarHBondContact O-CB 3.42Å; I595-L598 PolarHBondContact O-N 3.34Å; I595-L598 VanDerWaalsContact O-N 3.09Å; D596-L598 VanDerWaalsContact C-N 3.29Å; D596-L598 PolarHBondContact O-N 3.02Å; L598-D600 VanDerWaalsContact C-N 3.32Å; L598-D600 PolarHBondContact O-N 2.89Å; L598-T601 PolarHBondContact O-N 2.88Å; L598-T601 VanDerWaalsContact O-N 3.09Å; L598-T601 PolarHBondContact O-OG1 3.07Å; L598-L602 PolarHBondContact O-N 3.29Å
599	L	88.3	Confident	89.9	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-37.3	176.6	-67.9	176.7	0	0	0	112.1	L478 V481 V546 I595 D596 T601 L602	L478-L599 HydrophobicContact CD1-CB 4Å; L478-L599 HydrophobicContact CD1-CD1 3.97Å; L478-L599 HydrophobicContact CD1-CD2 3.92Å; L478-L599 HydrophobicContact CD1-CG 4.17Å; V481-L599 HydrophobicContact CB-CD1 4.49Å; V481-L599 HydrophobicContact CB-CD2 4.23Å; V481-L599 HydrophobicContact CG1-CD1 3.81Å; V481-L599 HydrophobicContact CG1-CD2 4.07Å; V481-L599 HydrophobicContact CG1-CG 4.43Å; V481-L599 HydrophobicContact CG2-CD2 4.36Å; V546-L599 HydrophobicContact CG2-CD2 4.42Å; I595-L599 HydrophobicContact CG2-CD1 3.94Å; I595-L599 HydrophobicContact CG2-CG 4.19Å; I595-L599 VanDerWaalsContact O-CG 3.31Å; I595-L599 WeakPolarHBondContact O-CG 3.32Å; I595-L599 PolarHBondContact O-N 3.04Å; D596-L599 WeakPolarHBondContact O-CB 3.35Å; D596-L599 PolarHBondContact O-N 3.36Å; D596-L599 VanDerWaalsContact O-N 3.14Å; L599-T601 PolarHBondContact O-N 3.41Å; L599-T601 VanDerWaalsContact O-N 3.15Å; L599-L602 HydrophobicContact CD2-CD1 3.66Å; L599-L602 WeakPolarHBondContact O-CB 3.37Å; L599-L602 PolarHBondContact O-N 3.29Å; L599-L602 VanDerWaalsContact O-N 3.14Å
600	D	87.3	Confident	89.7	Confident	140 Å²	140	62.8 Å²	62.8	75%	0.749	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	175.2	-73.3	-20.6	0	0	0	113.3	D596 L598	D596-D600 PolarHBondContact O-N 2.94Å; L598-D600 VanDerWaalsContact C-N 3.32Å; L598-D600 PolarHBondContact O-N 2.89Å
601	T	83.6	Confident	89.4	Confident	69 Å²	69	56.6 Å²	56.6	42%	0.423	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	1.5	179	75	0	0	0	0	113.6	K542 S597 L598 L599	K542-T601 VanDerWaalsContact NZ-CB 3.3Å; K542-T601 PolarHBondContact NZ-O 3.4Å; K542-T601 PolarHBondContact NZ-OG1 3.22Å; S597-T601 WeakPolarHBondContact O-CG2 3.4Å; L598-T601 PolarHBondContact O-N 2.88Å; L598-T601 VanDerWaalsContact O-N 3.09Å; L598-T601 PolarHBondContact O-OG1 3.07Å; L599-T601 PolarHBondContact O-N 3.41Å; L599-T601 VanDerWaalsContact O-N 3.15Å
602	L	79.1	Confident	89	Confident	57 Å²	57	59.5 Å²	59.5	30%	0.298	32%	0.32	S	S	.	.			trans	-85.4	0	169.8	-70.5	-179.4	0	0	0	109.3	T474 L539 K542 V543 L598 L599	T474-L602 HydrophobicContact CG2-CB 3.71Å; L539-L602 HydrophobicContact CB-CD2 4.08Å; L539-L602 HydrophobicContact CD2-CD2 4.11Å; K542-L602 HydrophobicContact CB-CD2 3.65Å; K542-L602 HydrophobicContact CD-CD2 4.09Å; V543-L602 HydrophobicContact CG2-CD1 4.15Å; V543-L602 HydrophobicContact CG2-CD2 4Å; L598-L602 PolarHBondContact O-N 3.29Å; L599-L602 HydrophobicContact CD2-CD1 3.66Å; L599-L602 WeakPolarHBondContact O-CB 3.37Å; L599-L602 PolarHBondContact O-N 3.29Å; L599-L602 VanDerWaalsContact O-N 3.14Å

Retrieved 602 of 602 residues in 1764.4 ms (Link to these results)

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