A0A060VCY7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCY7, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 337 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	35.6	Very low	240 Å²	240	145.7 Å²	145.7	100%	1.182	80%	0.801	S	S	*	*				0	102.7	0	-98.8	171.9	-81.5	0	0	107.7
2	A	33.3	Very low	35.8	Very low	101 Å²	101	145.9 Å²	145.9	84%	0.835	80%	0.798	S	S	*	*			trans	-70	129.4	170	0	0	0	0	0	108.5
3	V	30.4	Very low	36	Very low	142 Å²	142	147.5 Å²	147.5	86%	0.861	80%	0.804	S	S	*	*			trans	-116.4	102.1	156.2	-179.8	0	0	0	0	106	A5	V3-A5 PolarHBondContact O-N 3.3Å
4	M	31.3	Very low	36	Very low	177 Å²	177	142.1 Å²	142.1	87%	0.872	78%	0.782	S	S	*	*			trans	-68.6	105.5	179	-162.2	159.5	69.2	0	0	107.5
5	A	32.1	Very low	35.9	Very low	81 Å²	81	136.9 Å²	136.9	67%	0.669	78%	0.775	S	S	*	*			trans	-65.4	141.6	171	0	0	0	0	0	109.3	V3 R7	V3-A5 PolarHBondContact O-N 3.3Å; A5-R7 PolarHBondContact O-N 2.88Å
6	P	36.3	Very low	35.9	Very low	104 Å²	104	132.8 Å²	132.8	68%	0.675	76%	0.763	S	S	*	*			trans	-70.9	119.3	-167.8	-11	27.3	0	0	0	110.3	T8	P6-T8 WeakPolarHBondContact CB-OG1 3.39Å; P6-T8 PolarHBondContact O-N 3.2Å
7	R	41.9	Very low	36.2	Very low	236 Å²	236	133.1 Å²	133.1	89%	0.891	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	17.5	172.7	-98.9	178.5	165	153.2	-4.6	114.5	A5	A5-R7 PolarHBondContact O-N 2.88Å
8	T	40.3	Very low	36.2	Very low	98 Å²	98	130.8 Å²	130.8	60%	0.601	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-4.8	-171.7	30.5	0	0	0	0	114.4	P6	P6-T8 WeakPolarHBondContact CB-OG1 3.39Å; P6-T8 PolarHBondContact O-N 3.2Å
9	L	35.8	Very low	36.2	Very low	148 Å²	148	131.1 Å²	131.1	78%	0.775	76%	0.758	S	S	*	*	S	Bend	trans	-93.2	-7.8	173.4	-120.2	86.8	0	0	0	114.4
10	L	35.9	Very low	36.3	Very low	152 Å²	152	129.3 Å²	129.3	80%	0.796	75%	0.749	S	S	*	*	S	Bend	trans	-94.1	4.2	178.6	-118	93.2	0	0	0	114.1	S14	L10-S14 PolarHBondContact O-OG 2.92Å
11	L	37.6	Very low	36.4	Very low	124 Å²	124	130.7 Å²	130.7	65%	0.649	75%	0.749	S	S	*	*	S	Bend	trans	-104.2	-0	-179.9	-80.9	162.7	0	0	0	113.7
12	L	37.2	Very low	36.7	Very low	148 Å²	148	122.6 Å²	122.6	78%	0.775	71%	0.713	S	S	*	*	S	Bend	trans	-101.8	-4.6	179.4	-73.6	167.4	0	0	0	113.9
13	L	38.8	Very low	37.4	Very low	166 Å²	166	126.2 Å²	126.2	87%	0.869	71%	0.705	S	S	*	*	S	Bend	trans	-110.6	0.2	168	-75.9	158.3	0	0	0	112.1	G15	L13-G15 VanDerWaalsContact C-N 3.27Å
14	S	36.5	Very low	38.7	Very low	72 Å²	72	122.3 Å²	122.3	50%	0.503	69%	0.688	S	S	.	*			trans	-88.2	7.6	168.8	-15.5	0	0	0	0	112.7	L10 A16	L10-S14 PolarHBondContact O-OG 2.92Å; S14-A16 PolarHBondContact O-N 2.76Å
15	G	34.8	Very low	40.9	Very low	65 Å²	65	114.8 Å²	114.8	67%	0.67	66%	0.656	S	S	*	*			trans	-72.3	37.2	157.1	0	0	0	0	0	111.6	L13 L17	L13-G15 VanDerWaalsContact C-N 3.27Å; G15-L17 PolarHBondContact O-N 2.99Å
16	A	35.3	Very low	43.7	Very low	71 Å²	71	112.9 Å²	112.9	59%	0.587	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	133.4	155.9	0	0	0	0	0	106.6	S14	S14-A16 PolarHBondContact O-N 2.76Å
17	L	40.8	Very low	46.5	Very low	138 Å²	138	109.3 Å²	109.3	72%	0.723	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.4	59.1	170.9	-48.1	157.5	0	0	0	112	G15 L19	G15-L17 PolarHBondContact O-N 2.99Å; L17-L19 PolarHBondContact O-N 2.63Å
18	A	35.6	Very low	49.2	Very low	92 Å²	92	99.1 Å²	99.1	76%	0.76	58%	0.577	S	S	*	*				-54.2	98	122.8	0	0	0	0	0	102.8	T20	A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 PolarHBondContact O-N 2.82Å
19	L	37.3	Very low	51.9	Low	135 Å²	135	94.5 Å²	94.5	71%	0.707	55%	0.548	S	S	*	.			trans	-38.7	114.5	160.9	-84.5	86.3	0	0	0	102.1	L17 Q21	L17-L19 PolarHBondContact O-N 2.63Å; L19-Q21 PolarHBondContact O-N 3.47Å
20	T	37.2	Very low	54.9	Low	96 Å²	96	89.8 Å²	89.8	59%	0.589	52%	0.521	S	S	*	.			trans	-50.3	95	136	42	0	0	0	0	101.3	A18 T22	A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 PolarHBondContact O-N 2.82Å; T20-T22 PolarHBondContact O-N 3.02Å
21	Q	38.4	Very low	57.9	Low	159 Å²	159	83.3 Å²	83.3	74%	0.743	49%	0.486	S	S	*	.			trans	-47.4	86.7	137.2	-89.3	175.1	-40.4	0	0	101.2	L19 W23	L19-Q21 PolarHBondContact O-N 3.47Å; Q21-W23 PolarHBondContact O-N 2.81Å
22	T	43.4	Very low	60.8	Low	69 Å²	69	81.6 Å²	81.6	42%	0.423	47%	0.473	S	S	.	.			trans	-39.2	112.1	145	47.5	0	0	0	0	101.1	T20 A24	T20-T22 PolarHBondContact O-N 3.02Å; T22-A24 PolarHBondContact O-N 2.99Å
23	W	49.2	Very low	63.7	Low	177 Å²	177	74.8 Å²	74.8	67%	0.67	44%	0.438	S	S	*	.			trans	-66.3	72.7	-173.4	-72.6	76.7	0	0	0	106.5	Q21 G25 S26 L134	Q21-W23 PolarHBondContact O-N 2.81Å; W23-G25 PolarHBondContact O-N 2.87Å; W23-S26 WeakPolarHBondContact CB-OG 3.39Å; W23-S26 PolarHBondContact O-N 2.99Å; W23-S26 PolarHBondContact O-OG 3.32Å; W23-L134 HydrophobicContact CE3-CD1 4.08Å; W23-L134 HydrophobicContact CH2-CD1 4.38Å; W23-L134 HydrophobicContact CZ3-CD1 3.56Å
24	A	57.2	Low	66.6	Low	60 Å²	60	69.1 Å²	69.1	50%	0.496	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	111.1	-172	0	0	0	0	0	104.8	T22 E288	T22-A24 PolarHBondContact O-N 2.99Å; A24-E288 WeakPolarHBondContact CA-OE1 3.4Å
25	G	76.3	Confident	69.6	Low	20 Å²	20	65.8 Å²	65.8	21%	0.206	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	15.5	-175.1	0	0	0	0	0	117.5	W23 H27 S129 E288	W23-G25 PolarHBondContact O-N 2.87Å; G25-H27 PolarHBondContact O-CD2 2.93Å; G25-S129 WeakPolarHBondContact O-CA 3.36Å; G25-S129 WeakPolarHBondContact O-CB 3.36Å; G25-S129 PolarHBondContact O-N 3.2Å; G25-E288 PolarHBondContact N-OE1 2.89Å
26	S	91.4	Very high	72.6	Confident	41 Å²	41	64.9 Å²	64.9	29%	0.287	37%	0.368	S	S	.	.			trans	-77.7	145.7	159.7	69.3	0	0	0	0	110	W23 V127	W23-S26 WeakPolarHBondContact CB-OG 3.39Å; W23-S26 PolarHBondContact O-N 2.99Å; W23-S26 PolarHBondContact O-OG 3.32Å; S26-V127 CarbonylContact C-O 3.59Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.42Å; S26-V127 WeakPolarHBondContact CB-O 3.17Å
27	H	95.6	Very high	75.5	Confident	28 Å²	28	62.4 Å²	62.4	13%	0.13	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.8	179.2	-65.5	-78.1	0	0	0	110.8	G25 D53 D126 V127 L192 L196	G25-H27 PolarHBondContact O-CD2 2.93Å; H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.32Å; H27-D53 IonicContact CE1-OD2 3.8Å; H27-D53 IonicContact CG-OD2 2.68Å; H27-D53 IonicContact ND1-OD1 3.08Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 2.71Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.5Å; H27-V127 HydrophobicContact CB-CG2 3.99Å; H27-V127 PolarHBondContact N-O 2.73Å; H27-V127 PolarHBondContact O-N 2.95Å; H27-L192 HydrophobicContact CB-CD1 4.41Å; H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.38Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å
28	S	97.6	Very high	78.1	Confident	22 Å²	22	59.3 Å²	59.3	15%	0.154	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.4	179.3	65.7	0	0	0	0	111.4	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.51Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; S28-D53 PolarHBondContact N-OD1 2.67Å; S28-D53 PolarHBondContact O-N 3.49Å; S28-D53 PolarHBondContact OG-OD1 2.95Å; S28-C125 WeakPolarHBondContact CA-O 3.19Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å
29	M	98.6	Very high	80.6	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123	166	-173.6	169.6	63	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.08Å; M29-Y31 HydrophobicContact CG-CE2 3.98Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.2Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.27Å; M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; M29-C125 PolarHBondContact N-O 3.02Å; M29-C125 PolarHBondContact O-N 3.42Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.36Å; M29-C188 WeakPolarHBondContact CE-SG 3.21Å; M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.44Å; M29-L192 HydrophobicContact SD-CB 4.49Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å
30	R	98.6	Very high	82.9	Confident	50 Å²	50	55.5 Å²	55.5	19%	0.189	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.7	-177.3	-56.9	-62.1	179.6	78	5.2	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.59Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.25Å; R30-Y51 PolarHBondContact N-O 2.87Å; R30-Y51 PolarHBondContact O-N 2.68Å; R30-D126 IonicContact CZ-OD1 3.69Å; R30-D126 IonicContact NE-OD1 2.85Å; R30-D126 PolarHBondContact NE-OD1 2.81Å; R30-D126 IonicContact NH2-OD1 3.47Å; R30-D126 PolarHBondContact NH2-OD1 3.41Å; R30-D126 IonicContact NH2-OD2 3.96Å; R30-D126 PolarHBondContact NH2-OD2 2.85Å; R30-Y137 PolarHBondContact NH2-OH 2.74Å
31	Y	98.7	Very high	85.3	Confident	16 Å²	16	55.3 Å²	55.3	6%	0.063	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.5	168.9	-69.3	-92.7	0	0	0	109.3	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.08Å; M29-Y31 HydrophobicContact CG-CE2 3.98Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; Y31-V49 WeakPolarHBondContact CA-O 3.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.5Å; Y31-V58 HydrophobicContact CE1-CG2 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.37Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.29Å; Y31-Y123 AromaticContact CD2-CE2 3.57Å; Y31-Y123 HydrophobicContact CD2-CE2 3.57Å; Y31-Y123 AromaticContact CD2-CZ 3.99Å; Y31-Y123 HydrophobicContact CE2-CE2 4.4Å; Y31-Y123 AromaticContact CG-CE2 3.89Å; Y31-Y123 HydrophobicContact CG-CE2 3.89Å; Y31-Y123 AromaticContact CG-CZ 3.8Å; Y31-Y123 PolarHBondContact N-O 3.32Å; Y31-Y123 PolarHBondContact O-N 2.82Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å
32	F	98.8	Very high	87.7	Confident	88 Å²	88	50.6 Å²	50.6	39%	0.386	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.2	175.2	-56.9	-96.3	0	0	0	108.5	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.59Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; F32-A48 CarbonylContact O-C 3.57Å; F32-A48 VanDerWaalsContact O-CA 3.27Å; F32-A48 WeakPolarHBondContact O-CA 3.36Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.25Å; F32-V49 PolarHBondContact O-N 3.11Å; F32-Y51 HydrophobicContact CD2-CD2 4.23Å; F32-Y51 HydrophobicContact CE2-CD2 4.29Å; F32-I121 VanDerWaalsContact CA-O 3.32Å; F32-I121 WeakPolarHBondContact CA-O 3.24Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.28Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.89Å
33	S	98.6	Very high	90	Very high	5 Å²	5	51.8 Å²	51.8	4%	0.035	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.5	169.5	64	0	0	0	0	111.6	I47 H94 Q120 I121	S33-I47 CarbonylContact C-O 3.53Å; S33-I47 VanDerWaalsContact CA-O 3.24Å; S33-I47 WeakPolarHBondContact CA-O 3.26Å; S33-H94 PolarHBondContact OG-NE2 2.84Å; S33-Q120 CarbonylContact O-C 3.57Å; S33-Q120 VanDerWaalsContact O-CA 3.32Å; S33-Q120 WeakPolarHBondContact O-CA 3.41Å; S33-I121 PolarHBondContact N-O 3.31Å; S33-I121 PolarHBondContact O-N 2.86Å
34	T	98.8	Very high	92.2	Very high	47 Å²	47	44.6 Å²	44.6	29%	0.288	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.1	177	-56.5	0	0	0	0	109.3	V36 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.96Å; T34-I47 PolarHBondContact N-O 2.69Å; T34-I47 PolarHBondContact O-N 2.74Å; T34-T118 HydrophobicContact CG2-CG2 3.88Å; T34-I119 WeakPolarHBondContact CA-O 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å
35	S	98.6	Very high	94.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.7	179.4	-65.3	0	0	0	0	109.5	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.53Å; S35-R45 WeakPolarHBondContact CA-O 3.47Å; S35-F46 WeakPolarHBondContact OG-CD2 3.33Å; S35-F46 WeakPolarHBondContact OG-CE2 3.39Å; S35-D98 WeakPolarHBondContact OG-CB 3.38Å; S35-D98 PolarHBondContact OG-OD2 3.49Å; S35-T118 CarbonylContact O-C 3.53Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.3Å; S35-I119 PolarHBondContact N-O 3.39Å; S35-I119 PolarHBondContact O-N 2.8Å
36	V	98.3	Very high	95.2	Very high	46 Å²	46	45.1 Å²	45.1	28%	0.279	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.3	-176.9	-172.5	0	0	0	0	109.6	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.96Å; V36-P44 CarbonylContact O-C 3.45Å; V36-P44 WeakPolarHBondContact O-CA 3.36Å; V36-P44 WeakPolarHBondContact O-CB 3.47Å; V36-R45 PolarHBondContact N-O 2.87Å; V36-R45 PolarHBondContact O-N 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å
37	S	97.1	Very high	95.6	Very high	18 Å²	18	45.5 Å²	45.5	13%	0.126	27%	0.272	C	S	.	.			trans	-69	143.6	174.6	75.2	0	0	0	0	111	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.35Å; S37-S116 PolarHBondContact O-OG 2.94Å; S37-S116 WeakPolarHBondContact OG-CA 3.32Å; S37-H117 PolarHBondContact N-O 2.89Å; S37-H117 PolarHBondContact OG-N 2.95Å; S37-H117 PolarHBondContact OG-O 2.96Å
38	R	94.8	Very high	95.7	Very high	73 Å²	73	44.7 Å²	44.7	28%	0.275	27%	0.271	S	S	.	.			trans	-130.3	72.8	-176.8	-63.2	-177.4	-73	-163.4	-8	110.8	G40 S41 E43 D63	R38-G40 PolarHBondContact O-N 2.82Å; R38-S41 PolarHBondContact O-N 3.44Å; R38-E43 PolarHBondContact NE-O 3.16Å; R38-E43 PolarHBondContact NH2-O 3Å; R38-D63 IonicContact CZ-OD1 3.61Å; R38-D63 IonicContact CZ-OD2 3.45Å; R38-D63 IonicContact NH1-OD1 3.44Å; R38-D63 PolarHBondContact NH1-OD1 2.03Å; R38-D63 IonicContact NH1-OD2 2.74Å; R38-D63 PolarHBondContact NH1-OD2 2.97Å; R38-D63 IonicContact NH2-OD1 2.85Å; R38-D63 PolarHBondContact NH2-OD1 3.45Å; R38-D63 IonicContact NH2-OD2 3.58Å
39	P	88.7	Confident	95.8	Very high	57 Å²	57	45.1 Å²	45.1	37%	0.37	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	126.1	-178.2	-25.4	33.5	0	0	0	111.9	S41 E113 G115	P39-S41 PolarHBondContact O-N 3.32Å; P39-E113 WeakPolarHBondContact CB-O 3.08Å; P39-E113 WeakPolarHBondContact CG-O 3.45Å; P39-G115 WeakPolarHBondContact CG-O 3.41Å
40	G	86.1	Confident	95.8	Very high	90 Å²	90	45.1 Å²	45.1	93%	0.928	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-0.1	-179.7	0	0	0	0	0	116.2	R38	R38-G40 PolarHBondContact O-N 2.82Å
41	S	87.6	Confident	95.8	Very high	92 Å²	92	46 Å²	46	64%	0.643	28%	0.276	S	S	*	.	S	Bend	trans	-123.2	25.5	-179.6	-63.4	0	0	0	0	113.1	R38 P39	R38-S41 PolarHBondContact O-N 3.44Å; P39-S41 PolarHBondContact O-N 3.32Å
42	G	87.6	Confident	95.7	Very high	61 Å²	61	45.3 Å²	45.3	63%	0.629	27%	0.273	S	S	*	.	S	Bend	trans	97	-156.7	176.1	0	0	0	0	0	114.1
43	E	92.3	Very high	95.6	Very high	94 Å²	94	42.5 Å²	42.5	44%	0.439	26%	0.262	S	S	.	.	S	Bend	trans	-70	153.9	-178.4	-65.1	-61.7	165.2	0	0	112.2	R38 R45 R99	R38-E43 PolarHBondContact NE-O 3.16Å; R38-E43 PolarHBondContact NH2-O 3Å; E43-R45 PolarHBondContact O-N 2.87Å; E43-R99 IonicContact OE1-CZ 3.67Å; E43-R99 IonicContact OE1-NE 3.31Å; E43-R99 IonicContact OE1-NH1 3.9Å; E43-R99 PolarHBondContact OE1-NH1 2.99Å; E43-R99 VanDerWaalsContact OE1-NH1 3.07Å; E43-R99 IonicContact OE1-NH2 2.74Å; E43-R99 PolarHBondContact OE1-NH2 3.45Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.87Å; E43-R99 IonicContact OE2-NE 3.45Å; E43-R99 PolarHBondContact OE2-NE 2.92Å; E43-R99 IonicContact OE2-NH1 2.93Å; E43-R99 PolarHBondContact OE2-NH1 3.35Å; E43-R99 IonicContact OE2-NH2 3.19Å; E43-R99 PolarHBondContact OE2-NH2 2.96Å
44	P	95.8	Very high	95.4	Very high	26 Å²	26	45.4 Å²	45.4	17%	0.169	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-52.1	136.9	171.6	-25.6	35	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.45Å; V36-P44 WeakPolarHBondContact O-CA 3.36Å; V36-P44 WeakPolarHBondContact O-CB 3.47Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.2Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.69Å
45	R	97.7	Very high	95.3	Very high	87 Å²	87	44.2 Å²	44.2	33%	0.328	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.4	172	-169.1	174.7	178.2	-176.5	-2.1	108.5	S35 V36 E43 I47 D61 D63	S35-R45 CarbonylContact C-O 3.53Å; S35-R45 WeakPolarHBondContact CA-O 3.47Å; V36-R45 PolarHBondContact N-O 2.87Å; V36-R45 PolarHBondContact O-N 3.48Å; E43-R45 PolarHBondContact O-N 2.87Å; R45-I47 HydrophobicContact CG-CG1 4.35Å; R45-D61 IonicContact CZ-OD1 2.66Å; R45-D61 IonicContact CZ-OD2 3.04Å; R45-D61 IonicContact NE-OD1 3.82Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 IonicContact NE-OD2 2.73Å; R45-D61 IonicContact NH2-OD1 2.81Å; R45-D61 IonicContact NH2-OD2 3.06Å; R45-D61 PolarHBondContact NH2-OD2 2.91Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact NE-OD2 2.74Å
46	F	98.5	Very high	95.2	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.8	176.3	-176.9	-86.3	0	0	0	110	S35 A48 F60 S62 V91 H94 S95 D98	S35-F46 WeakPolarHBondContact OG-CD2 3.33Å; S35-F46 WeakPolarHBondContact OG-CE2 3.39Å; F46-A48 HydrophobicContact CE1-CB 3.62Å; F46-A48 HydrophobicContact CZ-CB 4.02Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.13Å; F46-S62 PolarHBondContact N-OG 2.97Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 2.86Å; F46-V91 HydrophobicContact CD1-CG2 4.42Å; F46-V91 HydrophobicContact CE1-CG2 3.54Å; F46-V91 HydrophobicContact CZ-CG2 4.3Å; F46-H94 AromaticContact CE2-CD2 3.38Å; F46-H94 WeakPolarHBondContact CE2-CD2 3.32Å; F46-H94 AromaticContact CZ-CD2 3.39Å; F46-H94 WeakPolarHBondContact CZ-CD2 3.42Å; F46-S95 VanDerWaalsContact CB-OG 3.29Å; F46-S95 WeakPolarHBondContact CB-OG 3.38Å; F46-S95 VanDerWaalsContact CG-CB 3.48Å; F46-S95 WeakPolarHBondContact CG-OG 3.41Å; F46-D98 HydrophobicContact CD2-CB 4.41Å; F46-D98 HydrophobicContact CE2-CB 4.43Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.28Å
47	I	98.7	Very high	95.2	Very high	50 Å²	50	44.4 Å²	44.4	26%	0.256	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133	173.8	-58	175.1	0	0	0	107.7	S33 T34 R45 V49 F60	S33-I47 CarbonylContact C-O 3.53Å; S33-I47 VanDerWaalsContact CA-O 3.24Å; S33-I47 WeakPolarHBondContact CA-O 3.26Å; T34-I47 PolarHBondContact N-O 2.69Å; T34-I47 PolarHBondContact O-N 2.74Å; R45-I47 HydrophobicContact CG-CG1 4.35Å; I47-V49 HydrophobicContact CG2-CG1 4.44Å; I47-F60 WeakPolarHBondContact CA-O 3.32Å
48	A	98.6	Very high	95.3	Very high	11 Å²	11	43.6 Å²	43.6	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.6	169.2	0	0	0	0	0	110.7	F32 F46 R59 F60 V91	F32-A48 CarbonylContact O-C 3.57Å; F32-A48 VanDerWaalsContact O-CA 3.27Å; F32-A48 WeakPolarHBondContact O-CA 3.36Å; F46-A48 HydrophobicContact CE1-CB 3.62Å; F46-A48 HydrophobicContact CZ-CB 4.02Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.29Å; A48-F60 HydrophobicContact CB-CB 4.44Å; A48-F60 PolarHBondContact N-O 3.18Å; A48-F60 PolarHBondContact O-N 2.69Å; A48-V91 HydrophobicContact CB-CG2 3.83Å
49	V	98.8	Very high	95.4	Very high	31 Å²	31	44.3 Å²	44.3	19%	0.188	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.9	177.4	-63.2	0	0	0	0	109.6	Y31 F32 I47 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.25Å; F32-V49 PolarHBondContact O-N 3.11Å; I47-V49 HydrophobicContact CG2-CG1 4.44Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; V49-V58 WeakPolarHBondContact CA-O 2.95Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.19Å
50	G	98.6	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.3	175.8	0	0	0	0	0	110.4	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.25Å; G50-Q56 WeakPolarHBondContact O-CA 3.46Å; G50-Q56 WeakPolarHBondContact O-CG 3.23Å; G50-F57 WeakPolarHBondContact O-CD1 3.28Å; G50-F57 PolarHBondContact O-N 3.43Å; G50-V58 PolarHBondContact N-O 3.24Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.67Å
51	Y	98.6	Very high	96.5	Very high	70 Å²	70	38.4 Å²	38.4	28%	0.275	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.8	178.3	-76.2	-102.2	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.2Å; R30-Y51 PolarHBondContact N-O 2.87Å; R30-Y51 PolarHBondContact O-N 2.68Å; F32-Y51 HydrophobicContact CD2-CD2 4.23Å; F32-Y51 HydrophobicContact CE2-CD2 4.29Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; Y51-T55 WeakPolarHBondContact CA-O 3.46Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 2.87Å
52	V	98.1	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.4	156	177.4	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.51Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; V52-D54 PolarHBondContact O-N 3.16Å; V52-T55 PolarHBondContact N-O 3.03Å; V52-T55 WeakPolarHBondContact O-CB 3.38Å; V52-T55 PolarHBondContact O-N 3.07Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-W75 HydrophobicContact CG2-CZ2 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 4.01Å; V52-L196 HydrophobicContact CG1-CD2 4.02Å; V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.6	Very high	97.4	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.16	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-124.6	-167.6	-53.9	-41.3	0	0	0	110.7	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.32Å; H27-D53 IonicContact CE1-OD2 3.8Å; H27-D53 IonicContact CG-OD2 2.68Å; H27-D53 IonicContact ND1-OD1 3.08Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 2.71Å; S28-D53 PolarHBondContact N-OD1 2.67Å; S28-D53 PolarHBondContact O-N 3.49Å; S28-D53 PolarHBondContact OG-OD1 2.95Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.97Å
54	D	94.8	Very high	97.6	Very high	65 Å²	65	32.6 Å²	32.6	35%	0.348	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	12.3	179.4	-59.4	-55.3	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.16Å; D54-Y233 HydrophobicContact CB-CE2 4.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 2.89Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.63Å
55	T	95.9	Very high	97.6	Very high	22 Å²	22	36.9 Å²	36.9	14%	0.135	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.8	-175	-57.9	0	0	0	0	112.2	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.46Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; V52-T55 PolarHBondContact N-O 3.03Å; V52-T55 WeakPolarHBondContact O-CB 3.38Å; V52-T55 PolarHBondContact O-N 3.07Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.97Å; T55-F57 PolarHBondContact O-N 3.31Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.49Å; T55-Y233 PolarHBondContact OG1-OH 2.78Å
56	Q	97.3	Very high	97.3	Very high	52 Å²	52	35.5 Å²	35.5	24%	0.243	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.6	174.1	-165.8	179.1	-4.2	0	0	110.5	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.46Å; G50-Q56 WeakPolarHBondContact O-CG 3.23Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 2.87Å; Q56-V58 PolarHBondContact NE2-O 2.94Å; Q56-V58 VanDerWaalsContact NE2-O 3.16Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.34Å
57	F	98	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-23	-179.8	74.4	-82.7	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.27Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.5Å; G50-F57 WeakPolarHBondContact O-CD1 3.28Å; G50-F57 PolarHBondContact O-N 3.43Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 3.31Å; F57-R72 PolarHBondContact O-N 3.01Å; F57-A73 HydrophobicContact CB-CB 4.15Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.09Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.13Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.22Å; F57-I76 HydrophobicContact CD2-CB 4.47Å; F57-I76 HydrophobicContact CD2-CD1 4.02Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.37Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å
58	V	98.5	Very high	97.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155	176.5	-72.1	0	0	0	0	112.7	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.98Å; V49-V58 WeakPolarHBondContact CA-O 2.95Å; G50-V58 PolarHBondContact N-O 3.24Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.67Å; Q56-V58 PolarHBondContact NE2-O 2.94Å; Q56-V58 VanDerWaalsContact NE2-O 3.16Å; V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.7Å; V58-M69 HydrophobicContact CG1-CG 4.13Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-SD 4.15Å; V58-E70 WeakPolarHBondContact CA-O 3.37Å; V58-I76 HydrophobicContact CG1-CG1 4.44Å; V58-W84 HydrophobicContact CG1-CH2 4.17Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å
59	R	98.5	Very high	97.1	Very high	89 Å²	89	43.4 Å²	43.4	34%	0.336	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.7	173.1	-179.7	173.4	168.5	173.9	-3.3	111.4	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.29Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.19Å; R59-D61 IonicContact NH2-OD2 2.81Å; R59-D61 PolarHBondContact NH2-OD2 2.58Å; R59-M69 VanDerWaalsContact C-SD 3.55Å; R59-E70 PolarHBondContact N-O 3.48Å; R59-E70 PolarHBondContact O-N 2.93Å; R59-R72 HydrophobicContact CB-CG 3.88Å
60	F	98.7	Very high	97.1	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.7	165.1	179.1	-86.1	0	0	0	109.9	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.13Å; I47-F60 WeakPolarHBondContact CA-O 3.32Å; A48-F60 HydrophobicContact CB-CB 4.44Å; A48-F60 PolarHBondContact N-O 3.18Å; A48-F60 PolarHBondContact O-N 2.69Å; F60-Q67 HydrophobicContact CE2-CB 4.42Å; F60-Q67 WeakPolarHBondContact CE2-O 3.5Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; F60-R68 WeakPolarHBondContact CD2-O 3.39Å; F60-M69 HydrophobicContact CB-CE 4.25Å; F60-M69 HydrophobicContact CB-SD 4.03Å; F60-V91 HydrophobicContact CB-CG1 4.14Å; F60-V91 HydrophobicContact CB-CG2 3.83Å; F60-V91 HydrophobicContact CD1-CG1 4.27Å; F60-V91 HydrophobicContact CD1-CG2 3.94Å; F60-V91 HydrophobicContact CD2-CG1 3.33Å; F60-V91 HydrophobicContact CD2-CG2 4.35Å; F60-V91 HydrophobicContact CE2-CG1 3.69Å; F60-V91 HydrophobicContact CG-CB 4.4Å; F60-V91 HydrophobicContact CG-CG1 3.66Å; F60-V91 HydrophobicContact CG-CG2 3.78Å; F60-V91 HydrophobicContact CZ-CG1 4.31Å; F60-K92 HydrophobicContact CE2-CG 4.17Å; F60-K92 HydrophobicContact CZ-CG 4.05Å
61	D	98.4	Very high	97.1	Very high	17 Å²	17	47 Å²	47	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	121.7	173.2	-165.9	-26.4	0	0	0	108.9	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.66Å; R45-D61 IonicContact CZ-OD2 3.04Å; R45-D61 IonicContact NE-OD1 3.82Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 IonicContact NE-OD2 2.73Å; R45-D61 IonicContact NH2-OD1 2.81Å; R45-D61 IonicContact NH2-OD2 3.06Å; R45-D61 PolarHBondContact NH2-OD2 2.91Å; R59-D61 IonicContact NH2-OD2 2.81Å; R59-D61 PolarHBondContact NH2-OD2 2.58Å; D61-D63 PolarHBondContact O-N 2.8Å; D61-D63 PolarHBondContact OD1-N 2.79Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å; D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.46Å; D61-A64 VanDerWaalsContact O-N 3.13Å
62	S	97.6	Very high	97	Very high	17 Å²	17	49 Å²	49	12%	0.119	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.5	-179.1	63.6	0	0	0	0	113.2	F46 A64 Q67	F46-S62 PolarHBondContact N-OG 2.97Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 2.86Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-Q67 PolarHBondContact O-NE2 2.64Å
63	D	96.6	Very high	96.9	Very high	79 Å²	79	49.2 Å²	49.2	42%	0.422	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.1	179.6	-69.9	0.5	0	0	0	112.1	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.61Å; R38-D63 IonicContact CZ-OD2 3.45Å; R38-D63 IonicContact NH1-OD1 3.44Å; R38-D63 PolarHBondContact NH1-OD1 2.03Å; R38-D63 IonicContact NH1-OD2 2.74Å; R38-D63 PolarHBondContact NH1-OD2 2.97Å; R38-D63 IonicContact NH2-OD1 2.85Å; R38-D63 PolarHBondContact NH2-OD1 3.45Å; R38-D63 IonicContact NH2-OD2 3.58Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact NE-OD2 2.74Å; D61-D63 PolarHBondContact O-N 2.8Å; D61-D63 PolarHBondContact OD1-N 2.79Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å
64	A	96.6	Very high	96.9	Very high	29 Å²	29	52.8 Å²	52.8	24%	0.24	29%	0.287	C	S	.	.	S	Bend	trans	-70.2	145.3	175.3	0	0	0	0	0	111.2	D61 S62 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.46Å; D61-A64 VanDerWaalsContact O-N 3.13Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.72Å; A64-Q67 WeakPolarHBondContact O-CG 3.15Å; A64-Q67 PolarHBondContact O-N 2.83Å
65	A	95.4	Very high	97	Very high	116 Å²	116	50.5 Å²	50.5	96%	0.959	27%	0.273	S	S	*	.	S	Bend	trans	-63.5	-33.5	-178.8	0	0	0	0	0	113.6
66	S	92.5	Very high	97.1	Very high	58 Å²	58	49.5 Å²	49.5	41%	0.406	27%	0.267	S	S	.	.	S	Bend	trans	-71.4	-36.9	178.2	59.6	0	0	0	0	111.8	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.72Å; S66-R68 WeakPolarHBondContact O-CG 3.34Å; S66-R68 PolarHBondContact O-N 3.1Å; S66-E70 PolarHBondContact OG-OE1 2.83Å
67	Q	95.5	Very high	97	Very high	89 Å²	89	53 Å²	53	42%	0.416	28%	0.283	S	S	.	.			trans	42	50.4	-167.1	-57.5	-174.3	-23	0	0	111.5	F60 S62 A64 K92	F60-Q67 HydrophobicContact CE2-CB 4.42Å; F60-Q67 WeakPolarHBondContact CE2-O 3.5Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; S62-Q67 PolarHBondContact O-NE2 2.64Å; A64-Q67 WeakPolarHBondContact O-CG 3.15Å; A64-Q67 PolarHBondContact O-N 2.83Å; Q67-K92 WeakPolarHBondContact O-CE 3.37Å; Q67-K92 PolarHBondContact O-NZ 3.33Å
68	R	97.7	Very high	96.9	Very high	129 Å²	129	58.7 Å²	58.7	49%	0.487	31%	0.31	S	S	.	.	S	Bend	trans	-122.5	159.5	175.4	-61.7	-173.7	95.4	148.7	0.1	110.4	F60 S66 E70 D85 T88	F60-R68 WeakPolarHBondContact CD2-O 3.39Å; S66-R68 WeakPolarHBondContact O-CG 3.34Å; S66-R68 PolarHBondContact O-N 3.1Å; R68-E70 PolarHBondContact O-N 2.92Å; R68-D85 IonicContact CZ-OD1 3.17Å; R68-D85 IonicContact NH2-OD1 3.07Å; R68-D85 PolarHBondContact NH2-OD1 3.24Å; R68-T88 HydrophobicContact CB-CG2 4.3Å; R68-T88 HydrophobicContact CG-CG2 4.24Å
69	M	98.3	Very high	96.8	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.059	31%	0.312	C	S	.	.			trans	-67.2	126.2	166	-170.7	63	79.6	0	0	108.4	V58 R59 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.7Å; V58-M69 HydrophobicContact CG1-CG 4.13Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-SD 4.15Å; R59-M69 VanDerWaalsContact C-SD 3.55Å; F60-M69 HydrophobicContact CB-CE 4.25Å; F60-M69 HydrophobicContact CB-SD 4.03Å; M69-W84 HydrophobicContact CB-CE3 4.27Å; M69-W84 HydrophobicContact CG-CE3 4.21Å; M69-W84 HydrophobicContact CG-CZ3 4.05Å; M69-E87 HydrophobicContact CB-CB 4.07Å; M69-E87 HydrophobicContact CE-CB 4.48Å; M69-E87 HydrophobicContact CG-CB 4.07Å; M69-T88 PolarHBondContact N-OG1 3.37Å; M69-V91 HydrophobicContact CE-CB 3.91Å; M69-V91 HydrophobicContact CE-CG1 4.07Å; M69-V91 HydrophobicContact CE-CG2 4.08Å
70	E	98	Very high	96.6	Very high	61 Å²	61	63.7 Å²	63.7	29%	0.285	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.5	-175.6	-67.5	177	174	0	0	110.7	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.37Å; R59-E70 PolarHBondContact N-O 3.48Å; R59-E70 PolarHBondContact O-N 2.93Å; S66-E70 PolarHBondContact OG-OE1 2.83Å; R68-E70 PolarHBondContact O-N 2.92Å; E70-R72 IonicContact OE2-CZ 3.37Å; E70-R72 IonicContact OE2-NH2 3.71Å; E70-R72 PolarHBondContact OE2-NH2 3.37Å
71	P	98.1	Very high	96.6	Very high	46 Å²	46	67.7 Å²	67.7	30%	0.299	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146.5	173.7	28.1	-33.8	0	0	0	111.2	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.71Å; P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.42Å; P71-W84 HydrophobicContact CG-CH2 4.21Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å
72	R	97.4	Very high	96.5	Very high	111 Å²	111	72.9 Å²	72.9	42%	0.419	38%	0.379	S	S	.	.			trans	-128.2	-1.5	173.6	-61	-63.7	170.4	-162.5	-3.8	113.6	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; F57-R72 PolarHBondContact O-N 3.01Å; R59-R72 HydrophobicContact CB-CG 3.88Å; E70-R72 IonicContact OE2-CZ 3.37Å; E70-R72 IonicContact OE2-NH2 3.71Å; E70-R72 PolarHBondContact OE2-NH2 3.37Å
73	A	96.1	Very high	96.5	Very high	5 Å²	5	72.8 Å²	72.8	4%	0.041	38%	0.376	C	S	.	.	S	Bend	trans	-135.9	143.6	173.8	0	0	0	0	0	110.9	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.15Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 3.47Å; A73-I76 WeakPolarHBondContact O-CG2 3.28Å; A73-I76 PolarHBondContact O-N 2.93Å
74	P	96.3	Very high	96.6	Very high	106 Å²	106	70.8 Å²	70.8	69%	0.688	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-58.8	-36.6	-177.8	-26.6	35	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.02Å; P74-E77 WeakPolarHBondContact O-CB 3.03Å; P74-E77 PolarHBondContact O-N 3.28Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	96.1	Very high	96.6	Very high	17 Å²	17	72.6 Å²	72.6	6%	0.064	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-70.2	-14.9	-176	54.2	-105.8	0	0	0	114.3	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-W75 HydrophobicContact CG2-CZ2 4.49Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.09Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.13Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.22Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 3.47Å; W75-Q78 WeakPolarHBondContact O-CG 3.08Å; W75-Q78 PolarHBondContact O-NE2 2.96Å; W75-Y195 HydrophobicContact CH2-CG 4.23Å; W75-Y195 AromaticContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD2 4.44Å; W75-Y195 AromaticContact CZ3-CG 3.72Å; W75-Y195 HydrophobicContact CZ3-CG 3.72Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.04Å; W75-L203 HydrophobicContact CZ2-CG 4.31Å
76	I	97.5	Very high	96.7	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-89.4	-20.6	173.7	-163.2	72.1	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.47Å; F57-I76 HydrophobicContact CD2-CD1 4.02Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.37Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.39Å; V58-I76 HydrophobicContact CG1-CG1 4.44Å; P71-I76 HydrophobicContact CB-CG2 3.71Å; A73-I76 WeakPolarHBondContact O-CG2 3.28Å; A73-I76 PolarHBondContact O-N 2.93Å; P74-I76 PolarHBondContact O-N 3.02Å; I76-Q78 PolarHBondContact O-N 3.42Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.38Å; I76-E79 WeakPolarHBondContact O-CG 3.22Å; I76-E79 PolarHBondContact O-N 3.46Å; I76-Y83 HydrophobicContact CD1-CE1 4.15Å; I76-Y83 HydrophobicContact CG1-CE1 4.14Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.04Å; I76-W84 HydrophobicContact CG2-CH2 3.95Å; I76-W84 HydrophobicContact CG2-CZ2 4.36Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; I76-Y195 HydrophobicContact CD1-CD1 3.77Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	96.1	Very high	97	Very high	125 Å²	125	69.4 Å²	69.4	58%	0.584	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.8	-176.7	-64.9	-178.7	-174	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P74-E77 WeakPolarHBondContact O-CB 3.03Å; P74-E77 PolarHBondContact O-N 3.28Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 3.29Å
78	Q	94.5	Very high	97.1	Very high	120 Å²	120	65.6 Å²	65.6	56%	0.561	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-11.2	175.6	68.8	-174	-28.8	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.08Å; W75-Q78 PolarHBondContact O-NE2 2.96Å; I76-Q78 PolarHBondContact O-N 3.42Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 2.98Å
79	E	96.6	Very high	97.1	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.056	31%	0.314	C	S	.	.	S	Bend	trans	-63.3	142	176.9	-71.3	-60.7	161.2	0	0	111.5	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.38Å; I76-E79 WeakPolarHBondContact O-CG 3.22Å; I76-E79 PolarHBondContact O-N 3.46Å; E77-E79 PolarHBondContact O-N 3.29Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.19Å; E79-Y83 HydrophobicContact CB-CG 3.86Å; E79-Y83 HydrophobicContact CG-CD1 3.98Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 HydrophobicContact CB-CZ2 4.48Å; E79-W84 PolarHBondContact O-NE1 3.44Å; E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.62Å; E79-R194 IonicContact OE1-NE 3.66Å; E79-R194 PolarHBondContact OE1-NE 3.31Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 3.42Å; E79-R194 VanDerWaalsContact OE1-NH2 3.14Å; E79-R194 IonicContact OE2-CZ 3.03Å; E79-R194 IonicContact OE2-NE 3.32Å; E79-R194 IonicContact OE2-NH2 2.71Å; E79-R194 PolarHBondContact OE2-NH2 3.5Å; E79-N198 PolarHBondContact OE1-ND2 3.32Å
80	R	95.9	Very high	97.1	Very high	184 Å²	184	69.6 Å²	69.6	69%	0.694	33%	0.33	S	S	*	.			trans	-69.6	158	-173.9	-59.2	-173	177.7	-177.8	-0	111.7	E82 Y83	R80-E82 WeakPolarHBondContact CB-OE2 3.5Å; R80-E82 PolarHBondContact O-N 3.14Å; R80-Y83 VanDerWaalsContact O-CB 3.32Å; R80-Y83 WeakPolarHBondContact O-CB 3.3Å; R80-Y83 PolarHBondContact O-N 2.68Å
81	P	96.7	Very high	97.1	Very high	88 Å²	88	67.3 Å²	67.3	57%	0.571	32%	0.32	S	S	*	.	H	α-helix	trans	-51.7	-33.4	178.8	-28.8	36.9	0	0	0	114.5	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.97Å; P81-W84 PolarHBondContact O-N 2.92Å; P81-D85 PolarHBondContact O-N 3.07Å
82	E	97.5	Very high	97.1	Very high	126 Å²	126	69 Å²	69	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-63.1	-33.2	179.3	-59.2	78.2	-167.8	0	0	112.7	R80 Q86	R80-E82 WeakPolarHBondContact CB-OE2 3.5Å; R80-E82 PolarHBondContact O-N 3.14Å; E82-Q86 VanDerWaalsContact O-CB 3.29Å; E82-Q86 WeakPolarHBondContact O-CB 3.22Å; E82-Q86 PolarHBondContact O-N 3.16Å
83	Y	97.4	Very high	97.1	Very high	15 Å²	15	66.4 Å²	66.4	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-52.3	173.9	169.9	-97.1	0	0	0	110.2	I76 E79 R80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.15Å; I76-Y83 HydrophobicContact CG1-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.19Å; E79-Y83 HydrophobicContact CB-CG 3.86Å; E79-Y83 HydrophobicContact CG-CD1 3.98Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; R80-Y83 VanDerWaalsContact O-CB 3.32Å; R80-Y83 WeakPolarHBondContact O-CB 3.3Å; R80-Y83 PolarHBondContact O-N 2.68Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.97Å; Y83-D85 VanDerWaalsContact C-N 3.3Å; Y83-D85 PolarHBondContact O-N 2.82Å; Y83-Q86 PolarHBondContact O-N 2.95Å; Y83-Q86 VanDerWaalsContact O-N 3.16Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.18Å; Y83-E87 WeakPolarHBondContact O-CG 3.46Å; Y83-E87 PolarHBondContact O-N 3.24Å; Y83-W191 AromaticContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CH2 3.45Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CZ2 4.08Å; Y83-W191 AromaticContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CE3 4.39Å; Y83-W191 AromaticContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CZ2 4.3Å; Y83-W191 AromaticContact CE2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CZ3 3.83Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å
84	W	98.1	Very high	97.2	Very high	37 Å²	37	68.5 Å²	68.5	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-37.2	-179.2	-62.6	109.8	0	0	0	112.9	V58 M69 P71 I76 E79 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.17Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å; M69-W84 HydrophobicContact CB-CE3 4.27Å; M69-W84 HydrophobicContact CG-CE3 4.21Å; M69-W84 HydrophobicContact CG-CZ3 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.42Å; P71-W84 HydrophobicContact CG-CH2 4.21Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.04Å; I76-W84 HydrophobicContact CG2-CH2 3.95Å; I76-W84 HydrophobicContact CG2-CZ2 4.36Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; E79-W84 HydrophobicContact CB-CZ2 4.48Å; E79-W84 PolarHBondContact O-NE1 3.44Å; P81-W84 PolarHBondContact O-N 2.92Å; W84-T88 WeakPolarHBondContact O-CB 3.4Å; W84-T88 PolarHBondContact O-N 2.91Å; W84-T88 PolarHBondContact O-OG1 2.95Å
85	D	97.9	Very high	97.2	Very high	67 Å²	67	64.2 Å²	64.2	36%	0.358	31%	0.307	S	S	.	.	H	α-helix	trans	-71.2	-36.7	176.2	-75.2	-18	0	0	0	112.6	R68 P81 Y83 R89	R68-D85 IonicContact CZ-OD1 3.17Å; R68-D85 IonicContact NH2-OD1 3.07Å; R68-D85 PolarHBondContact NH2-OD1 3.24Å; P81-D85 PolarHBondContact O-N 3.07Å; Y83-D85 VanDerWaalsContact C-N 3.3Å; Y83-D85 PolarHBondContact O-N 2.82Å; D85-R89 WeakPolarHBondContact O-CB 3.44Å; D85-R89 WeakPolarHBondContact O-CG 3.33Å; D85-R89 PolarHBondContact O-N 2.9Å; D85-R89 VanDerWaalsContact O-N 3.13Å; D85-R89 PolarHBondContact O-NE 2.96Å
86	Q	97.5	Very high	97.3	Very high	77 Å²	77	68.5 Å²	68.5	36%	0.36	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-49.5	174	-174.2	62.5	51	0	0	111	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.29Å; E82-Q86 WeakPolarHBondContact O-CB 3.22Å; E82-Q86 PolarHBondContact O-N 3.16Å; Y83-Q86 PolarHBondContact O-N 2.95Å; Y83-Q86 VanDerWaalsContact O-N 3.16Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 3.17Å; Q86-R89 PolarHBondContact O-N 2.68Å; Q86-R89 VanDerWaalsContact O-N 3.11Å; Q86-N90 PolarHBondContact NE2-OD1 2.9Å; Q86-N90 VanDerWaalsContact O-CG 3.23Å; Q86-N90 PolarHBondContact O-N 3.28Å; Q86-N90 PolarHBondContact O-OD1 2.7Å
87	E	97.8	Very high	97.3	Very high	30 Å²	30	72 Å²	72	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-40.5	179.5	-70.8	-53.6	104.9	0	0	111.9	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.07Å; M69-E87 HydrophobicContact CE-CB 4.48Å; M69-E87 HydrophobicContact CG-CB 4.07Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.18Å; Y83-E87 WeakPolarHBondContact O-CG 3.46Å; Y83-E87 PolarHBondContact O-N 3.24Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.22Å; E87-N90 PolarHBondContact O-N 3.05Å; E87-N90 PolarHBondContact OE1-ND2 3.36Å; E87-V91 WeakPolarHBondContact O-CB 3.23Å; E87-V91 VanDerWaalsContact O-CG1 3.3Å; E87-V91 WeakPolarHBondContact O-CG1 3.12Å; E87-V91 PolarHBondContact O-N 3.27Å
88	T	98.4	Very high	97.3	Very high	10 Å²	10	66.1 Å²	66.1	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-39.4	174.5	-62.6	0	0	0	0	112	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.3Å; R68-T88 HydrophobicContact CG-CG2 4.24Å; M69-T88 PolarHBondContact N-OG1 3.37Å; W84-T88 WeakPolarHBondContact O-CB 3.4Å; W84-T88 PolarHBondContact O-N 2.91Å; W84-T88 PolarHBondContact O-OG1 2.95Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 3.17Å; T88-V91 WeakPolarHBondContact O-CG1 3.33Å; T88-K92 HydrophobicContact CG2-CD 4.25Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.28Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 2.89Å
89	R	98.3	Very high	97.4	Very high	151 Å²	151	65.7 Å²	65.7	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-68	-45.1	176.2	-78.9	-175.1	-67.6	148	0.6	111.6	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.44Å; D85-R89 WeakPolarHBondContact O-CG 3.33Å; D85-R89 PolarHBondContact O-N 2.9Å; D85-R89 VanDerWaalsContact O-N 3.13Å; D85-R89 PolarHBondContact O-NE 2.96Å; Q86-R89 PolarHBondContact O-N 2.68Å; Q86-R89 VanDerWaalsContact O-N 3.11Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.22Å; R89-K92 PolarHBondContact O-N 3.34Å; R89-A93 WeakPolarHBondContact O-CB 3.26Å; R89-A93 PolarHBondContact O-N 3.23Å
90	N	97.1	Very high	97.4	Very high	74 Å²	74	68 Å²	68	40%	0.396	34%	0.336	S	S	.	.	H	α-helix	trans	-58.3	-51.6	178.8	-69.3	-12.5	0	0	0	111	Q86 E87 K92 A93 H94	Q86-N90 PolarHBondContact NE2-OD1 2.9Å; Q86-N90 VanDerWaalsContact O-CG 3.23Å; Q86-N90 PolarHBondContact O-N 3.28Å; Q86-N90 PolarHBondContact O-OD1 2.7Å; E87-N90 PolarHBondContact O-N 3.05Å; E87-N90 PolarHBondContact OE1-ND2 3.36Å; N90-K92 VanDerWaalsContact C-N 3.33Å; N90-K92 PolarHBondContact O-N 2.68Å; N90-A93 PolarHBondContact O-N 3.04Å; N90-H94 PolarHBondContact O-N 3.23Å
91	V	97.9	Very high	97.5	Very high	12 Å²	12	61.8 Å²	61.8	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-32.6	-177.7	75.7	0	0	0	0	112.7	F46 A48 F60 M69 E87 T88 H94 S95	F46-V91 HydrophobicContact CD1-CG2 4.42Å; F46-V91 HydrophobicContact CE1-CG2 3.54Å; F46-V91 HydrophobicContact CZ-CG2 4.3Å; A48-V91 HydrophobicContact CB-CG2 3.83Å; F60-V91 HydrophobicContact CB-CG1 4.14Å; F60-V91 HydrophobicContact CB-CG2 3.83Å; F60-V91 HydrophobicContact CD1-CG1 4.27Å; F60-V91 HydrophobicContact CD1-CG2 3.94Å; F60-V91 HydrophobicContact CD2-CG1 3.33Å; F60-V91 HydrophobicContact CD2-CG2 4.35Å; F60-V91 HydrophobicContact CE2-CG1 3.69Å; F60-V91 HydrophobicContact CG-CB 4.4Å; F60-V91 HydrophobicContact CG-CG1 3.66Å; F60-V91 HydrophobicContact CG-CG2 3.78Å; F60-V91 HydrophobicContact CZ-CG1 4.31Å; M69-V91 HydrophobicContact CE-CB 3.91Å; M69-V91 HydrophobicContact CE-CG1 4.07Å; M69-V91 HydrophobicContact CE-CG2 4.08Å; E87-V91 WeakPolarHBondContact O-CB 3.23Å; E87-V91 VanDerWaalsContact O-CG1 3.3Å; E87-V91 WeakPolarHBondContact O-CG1 3.12Å; E87-V91 PolarHBondContact O-N 3.27Å; T88-V91 WeakPolarHBondContact O-CG1 3.33Å; V91-H94 PolarHBondContact O-N 2.97Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.42Å
92	K	98	Very high	97.5	Very high	82 Å²	82	58 Å²	58	36%	0.357	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-41.7	172.7	-77.6	-176.3	-179.1	-174.8	0	112.2	F60 Q67 T88 R89 N90 H94 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.17Å; F60-K92 HydrophobicContact CZ-CG 4.05Å; Q67-K92 WeakPolarHBondContact O-CE 3.37Å; Q67-K92 PolarHBondContact O-NZ 3.33Å; T88-K92 HydrophobicContact CG2-CD 4.25Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.28Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 2.89Å; R89-K92 PolarHBondContact O-N 3.34Å; N90-K92 VanDerWaalsContact C-N 3.33Å; N90-K92 PolarHBondContact O-N 2.68Å; K92-H94 VanDerWaalsContact C-N 3.33Å; K92-S95 PolarHBondContact O-N 3.19Å; K92-Q96 WeakPolarHBondContact O-CG 3.36Å; K92-Q96 PolarHBondContact O-N 2.95Å; K92-Q96 VanDerWaalsContact O-N 3.08Å
93	A	97.9	Very high	97.4	Very high	57 Å²	57	53.7 Å²	53.7	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-41.6	175.5	0	0	0	0	0	111.4	R89 N90 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.26Å; R89-A93 PolarHBondContact O-N 3.23Å; N90-A93 PolarHBondContact O-N 3.04Å; A93-Q96 PolarHBondContact O-N 2.83Å; A93-T97 PolarHBondContact O-N 2.71Å; A93-T97 PolarHBondContact O-OG1 3.17Å
94	H	97.3	Very high	97.4	Very high	48 Å²	48	55.7 Å²	55.7	22%	0.222	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-47.2	173.3	-170.4	97.9	0	0	0	111.3	S33 F46 N90 V91 K92 Q96 T97 D98 I121	S33-H94 PolarHBondContact OG-NE2 2.84Å; F46-H94 AromaticContact CE2-CD2 3.38Å; F46-H94 WeakPolarHBondContact CE2-CD2 3.32Å; F46-H94 AromaticContact CZ-CD2 3.39Å; F46-H94 WeakPolarHBondContact CZ-CD2 3.42Å; N90-H94 PolarHBondContact O-N 3.23Å; V91-H94 PolarHBondContact O-N 2.97Å; K92-H94 VanDerWaalsContact C-N 3.33Å; H94-Q96 VanDerWaalsContact C-N 3.32Å; H94-Q96 PolarHBondContact O-N 2.88Å; H94-T97 WeakPolarHBondContact O-CA 3.47Å; H94-T97 WeakPolarHBondContact O-CB 3.36Å; H94-T97 PolarHBondContact O-N 3.19Å; H94-D98 IonicContact CD2-OD1 3.62Å; H94-D98 IonicContact CD2-OD2 3.02Å; H94-D98 IonicContact NE2-OD1 2.71Å; H94-D98 PolarHBondContact NE2-OD1 2.98Å; H94-D98 IonicContact NE2-OD2 3.42Å; H94-D98 PolarHBondContact NE2-OD2 2.87Å; H94-D98 PolarHBondContact O-N 3.36Å; H94-I121 WeakPolarHBondContact NE2-CD1 3.46Å
95	S	97.3	Very high	97.4	Very high	16 Å²	16	54.5 Å²	54.5	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-40.8	176.4	174.7	0	0	0	0	113.4	F46 V91 K92 R99	F46-S95 VanDerWaalsContact CB-OG 3.29Å; F46-S95 WeakPolarHBondContact CB-OG 3.38Å; F46-S95 VanDerWaalsContact CG-CB 3.48Å; F46-S95 WeakPolarHBondContact CG-OG 3.41Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.42Å; K92-S95 PolarHBondContact O-N 3.19Å; S95-R99 PolarHBondContact O-N 3.43Å
96	Q	97.3	Very high	97.3	Very high	107 Å²	107	54.7 Å²	54.7	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-68.7	-35.5	175.2	-64.9	-53.1	-47.8	0	0	112.5	K92 A93 H94 R99 A100	K92-Q96 WeakPolarHBondContact O-CG 3.36Å; K92-Q96 PolarHBondContact O-N 2.95Å; K92-Q96 VanDerWaalsContact O-N 3.08Å; A93-Q96 PolarHBondContact O-N 2.83Å; H94-Q96 VanDerWaalsContact C-N 3.32Å; H94-Q96 PolarHBondContact O-N 2.88Å; Q96-R99 WeakPolarHBondContact O-CB 3.19Å; Q96-R99 PolarHBondContact O-N 2.76Å; Q96-A100 PolarHBondContact O-N 2.72Å; Q96-A100 VanDerWaalsContact O-N 3.15Å
97	T	97.4	Very high	97.3	Very high	74 Å²	74	53.1 Å²	53.1	45%	0.454	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-46.8	175.4	-57.9	0	0	0	0	110.5	A93 H94 R99 A100 N101	A93-T97 PolarHBondContact O-N 2.71Å; A93-T97 PolarHBondContact O-OG1 3.17Å; H94-T97 WeakPolarHBondContact O-CA 3.47Å; H94-T97 WeakPolarHBondContact O-CB 3.36Å; H94-T97 PolarHBondContact O-N 3.19Å; T97-R99 VanDerWaalsContact C-N 3.32Å; T97-R99 PolarHBondContact O-N 2.91Å; T97-A100 PolarHBondContact O-N 3.49Å; T97-A100 VanDerWaalsContact O-N 3.14Å; T97-N101 WeakPolarHBondContact O-CB 3.28Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 3.01Å; T97-N101 PolarHBondContact O-ND2 3.33Å
98	D	96.8	Very high	97.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-37.6	177	-86.7	11.9	0	0	0	112.7	S35 F46 H94 A100 N101 L102 I121	S35-D98 WeakPolarHBondContact OG-CB 3.38Å; S35-D98 PolarHBondContact OG-OD2 3.49Å; F46-D98 HydrophobicContact CD2-CB 4.41Å; F46-D98 HydrophobicContact CE2-CB 4.43Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.28Å; H94-D98 IonicContact CD2-OD1 3.62Å; H94-D98 IonicContact CD2-OD2 3.02Å; H94-D98 IonicContact NE2-OD1 2.71Å; H94-D98 PolarHBondContact NE2-OD1 2.98Å; H94-D98 IonicContact NE2-OD2 3.42Å; H94-D98 PolarHBondContact NE2-OD2 2.87Å; H94-D98 PolarHBondContact O-N 3.36Å; D98-A100 VanDerWaalsContact C-N 3.34Å; D98-A100 PolarHBondContact O-N 2.86Å; D98-N101 PolarHBondContact O-N 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 2.96Å; D98-I121 WeakPolarHBondContact OD1-CD1 3.35Å
99	R	96.3	Very high	97.2	Very high	111 Å²	111	57.2 Å²	57.2	42%	0.419	30%	0.304	S	S	.	.	H	α-helix	trans	-57.3	-46.6	172.3	174.1	-170.4	167	163.5	15.6	111.6	E43 P44 S95 Q96 T97 N101	E43-R99 IonicContact OE1-CZ 3.67Å; E43-R99 IonicContact OE1-NE 3.31Å; E43-R99 IonicContact OE1-NH1 3.9Å; E43-R99 PolarHBondContact OE1-NH1 2.99Å; E43-R99 VanDerWaalsContact OE1-NH1 3.07Å; E43-R99 IonicContact OE1-NH2 2.74Å; E43-R99 PolarHBondContact OE1-NH2 3.45Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.87Å; E43-R99 IonicContact OE2-NE 3.45Å; E43-R99 PolarHBondContact OE2-NE 2.92Å; E43-R99 IonicContact OE2-NH1 2.93Å; E43-R99 PolarHBondContact OE2-NH1 3.35Å; E43-R99 IonicContact OE2-NH2 3.19Å; E43-R99 PolarHBondContact OE2-NH2 2.96Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.2Å; S95-R99 PolarHBondContact O-N 3.43Å; Q96-R99 WeakPolarHBondContact O-CB 3.19Å; Q96-R99 PolarHBondContact O-N 2.76Å; T97-R99 VanDerWaalsContact C-N 3.32Å; T97-R99 PolarHBondContact O-N 2.91Å; R99-N101 VanDerWaalsContact C-N 3.35Å
100	A	96.9	Very high	97.1	Very high	60 Å²	60	57.3 Å²	57.3	50%	0.496	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-37.5	177.2	0	0	0	0	0	111.8	Q96 T97 D98 G103 T104	Q96-A100 PolarHBondContact O-N 2.72Å; Q96-A100 VanDerWaalsContact O-N 3.15Å; T97-A100 PolarHBondContact O-N 3.49Å; T97-A100 VanDerWaalsContact O-N 3.14Å; D98-A100 VanDerWaalsContact C-N 3.34Å; D98-A100 PolarHBondContact O-N 2.86Å; A100-G103 PolarHBondContact O-N 3.38Å; A100-T104 PolarHBondContact O-N 2.89Å; A100-T104 VanDerWaalsContact O-N 3.07Å; A100-T104 PolarHBondContact O-OG1 3.41Å
101	N	97.5	Very high	97.1	Very high	54 Å²	54	56.5 Å²	56.5	29%	0.289	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-37.6	177.6	-70.6	-21.5	0	0	0	112.1	T97 D98 R99 G103 T104 L105 I119	T97-N101 WeakPolarHBondContact O-CB 3.28Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 3.01Å; T97-N101 PolarHBondContact O-ND2 3.33Å; D98-N101 PolarHBondContact O-N 3.49Å; R99-N101 VanDerWaalsContact C-N 3.35Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 2.91Å; N101-T104 WeakPolarHBondContact O-CB 3.45Å; N101-T104 PolarHBondContact O-N 2.95Å; N101-T104 VanDerWaalsContact O-N 3.09Å; N101-L105 WeakPolarHBondContact O-CB 3.31Å; N101-L105 WeakPolarHBondContact O-CG 3.38Å; N101-L105 PolarHBondContact O-N 3.5Å; N101-I119 HydrophobicContact CB-CD1 3.65Å
102	L	97.3	Very high	96.9	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-43.9	174.8	-80.1	164.3	0	0	0	111.4	P44 D98 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.69Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 2.96Å; L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 PolarHBondContact O-N 3.4Å; L102-R106 VanDerWaalsContact O-N 3.11Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; L102-I119 HydrophobicContact CB-CD1 4.42Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.11Å; L102-Y142 HydrophobicContact CD2-CE2 4.4Å
103	G	95.3	Very high	96.6	Very high	34 Å²	34	62.3 Å²	62.3	35%	0.351	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-39	175	0	0	0	0	0	113	A100 N101 G107	A100-G103 PolarHBondContact O-N 3.38Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 2.91Å; G103-G107 PolarHBondContact O-N 3.49Å
104	T	97.1	Very high	96.3	Very high	57 Å²	57	63.6 Å²	63.6	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-49.2	179	-60.1	0	0	0	0	112	A100 N101 G107 Y108	A100-T104 PolarHBondContact O-N 2.89Å; A100-T104 VanDerWaalsContact O-N 3.07Å; A100-T104 PolarHBondContact O-OG1 3.41Å; N101-T104 WeakPolarHBondContact O-CB 3.45Å; N101-T104 PolarHBondContact O-N 2.95Å; N101-T104 VanDerWaalsContact O-N 3.09Å; T104-G107 WeakPolarHBondContact O-CA 3.3Å; T104-G107 PolarHBondContact O-N 3.36Å; T104-G107 VanDerWaalsContact O-N 3.12Å; T104-Y108 HydrophobicContact CG2-CD1 4.42Å; T104-Y108 HydrophobicContact CG2-CD2 4.43Å; T104-Y108 HydrophobicContact CG2-CE1 3.78Å; T104-Y108 HydrophobicContact CG2-CE2 3.8Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.41Å; T104-Y108 WeakPolarHBondContact CG2-OH 3.43Å; T104-Y108 WeakPolarHBondContact O-CD1 3.19Å; T104-Y108 PolarHBondContact O-N 2.88Å
105	L	97.7	Very high	96	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.063	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-43.8	179.9	-68.8	174.4	0	0	0	111.1	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.31Å; N101-L105 WeakPolarHBondContact O-CG 3.38Å; N101-L105 PolarHBondContact O-N 3.5Å; L105-G107 PolarHBondContact O-N 3.46Å; L105-Y108 HydrophobicContact CD2-CD2 4.38Å; L105-Y108 PolarHBondContact O-N 3.44Å; L105-Y109 HydrophobicContact CD2-CE2 4.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.3Å; L105-Y109 PolarHBondContact O-N 3.49Å; L105-I119 HydrophobicContact CD1-CD1 3.57Å; L105-I119 HydrophobicContact CD1-CG1 3.68Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.18Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.49Å; L105-Y142 HydrophobicContact CD1-CD2 3.46Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.46Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.93Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.45Å; L105-Y147 HydrophobicContact CD2-CD2 4.27Å; L105-Y147 HydrophobicContact CD2-CE1 3.87Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-OH 3.27Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.48Å
106	R	96.6	Very high	96	Very high	71 Å²	71	65.1 Å²	65.1	27%	0.268	38%	0.378	S	S	.	.	H	α-helix	trans	-52.6	-41.7	172.4	-173.2	-172.6	67.6	179.4	10.4	111.7	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 PolarHBondContact O-N 3.4Å; L102-R106 VanDerWaalsContact O-N 3.11Å; R106-N110 PolarHBondContact O-N 3.49Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.5Å; R106-Q111 PolarHBondContact O-N 3.33Å; R106-E113 IonicContact CZ-OE1 2.67Å; R106-E113 IonicContact NH1-OE1 3.99Å; R106-E113 IonicContact NH2-OE1 3.01Å; R106-E113 PolarHBondContact NH2-OE1 2.9Å
107	G	96.8	Very high	96	Very high	44 Å²	44	60.8 Å²	60.8	45%	0.454	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-45.4	174.2	0	0	0	0	0	113.3	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 3.49Å; T104-G107 WeakPolarHBondContact O-CA 3.3Å; T104-G107 PolarHBondContact O-N 3.36Å; T104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 3.46Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.34Å; G107-N110 PolarHBondContact O-N 2.87Å; G107-N110 VanDerWaalsContact O-N 3.16Å
108	Y	97.8	Very high	96.1	Very high	58 Å²	58	58.9 Å²	58.9	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-36.6	179.1	-67.5	-5.8	0	0	0	112.8	T104 L105 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.42Å; T104-Y108 HydrophobicContact CG2-CD2 4.43Å; T104-Y108 HydrophobicContact CG2-CE1 3.78Å; T104-Y108 HydrophobicContact CG2-CE2 3.8Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.41Å; T104-Y108 WeakPolarHBondContact CG2-OH 3.43Å; T104-Y108 WeakPolarHBondContact O-CD1 3.19Å; T104-Y108 PolarHBondContact O-N 2.88Å; L105-Y108 HydrophobicContact CD2-CD2 4.38Å; L105-Y108 PolarHBondContact O-N 3.44Å; Y108-I166 HydrophobicContact CD1-CD1 4.31Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.34Å; Y108-I166 HydrophobicContact CE1-CG2 4.33Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 3.9Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; Y108-K170 PolarHBondContact OH-NZ 3.33Å
109	Y	97.6	Very high	96.2	Very high	68 Å²	68	59 Å²	59	27%	0.267	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	4.1	179	-68.9	-72.6	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.3Å; L105-Y109 PolarHBondContact O-N 3.49Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.34Å; Y109-Q111 PolarHBondContact O-N 3.17Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.27Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.17Å; Y109-D161 PolarHBondContact OH-OD2 3.18Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.6	Very high	96.3	Very high	153 Å²	153	57.6 Å²	57.6	82%	0.818	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	39.9	-176.7	-58.4	-59.5	0	0	0	113.2	R106 G107	R106-N110 PolarHBondContact O-N 3.49Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.87Å; G107-N110 VanDerWaalsContact O-N 3.16Å
111	Q	96.5	Very high	96.4	Very high	58 Å²	58	55 Å²	55	27%	0.271	32%	0.322	S	S	.	.			trans	-86.1	152.9	-176.3	-71	168.7	-35	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.5Å; R106-Q111 PolarHBondContact O-N 3.33Å; Y109-Q111 PolarHBondContact O-N 3.17Å; Q111-H117 PolarHBondContact NE2-CE1 2.8Å; Q111-H117 PolarHBondContact OE1-CE1 3.07Å; Q111-H117 PolarHBondContact OE1-ND1 3.48Å; Q111-Y142 PolarHBondContact OE1-OH 3.31Å; Q111-D143 PolarHBondContact NE2-OD2 2.64Å
112	S	94.2	Very high	96.4	Very high	81 Å²	81	53.2 Å²	53.2	57%	0.566	31%	0.312	S	S	*	.			trans	-68.9	147.3	179.5	175.4	0	0	0	0	112.4	A114 G115	S112-A114 PolarHBondContact O-N 2.81Å; S112-A114 PolarHBondContact OG-N 3.31Å; S112-G115 PolarHBondContact O-N 3.29Å
113	E	90.3	Very high	96.5	Very high	134 Å²	134	54.9 Å²	54.9	63%	0.626	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.5	174.6	-54.4	-154.8	126.9	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.08Å; P39-E113 WeakPolarHBondContact CG-O 3.45Å; R106-E113 IonicContact CZ-OE1 2.67Å; R106-E113 IonicContact NH1-OE1 3.99Å; R106-E113 IonicContact NH2-OE1 3.01Å; R106-E113 PolarHBondContact NH2-OE1 2.9Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	91.2	Very high	96.7	Very high	84 Å²	84	53.2 Å²	53.2	69%	0.694	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.4	178.5	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 2.81Å; S112-A114 PolarHBondContact OG-N 3.31Å
115	G	92.6	Very high	96.7	Very high	26 Å²	26	50.5 Å²	50.5	27%	0.268	29%	0.285	S	S	.	.	S	Bend	trans	-77.7	135.4	179.9	0	0	0	0	0	112.6	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.41Å; S112-G115 PolarHBondContact O-N 3.29Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 3.38Å; G115-H117 VanDerWaalsContact O-CD2 3.25Å
116	S	96.6	Very high	96.7	Very high	71 Å²	71	51.2 Å²	51.2	50%	0.497	29%	0.289	S	S	.	.			trans	-81.9	135.5	164.8	-179.3	0	0	0	0	109	S37	S37-S116 WeakPolarHBondContact O-CB 3.35Å; S37-S116 PolarHBondContact O-OG 2.94Å; S37-S116 WeakPolarHBondContact OG-CA 3.32Å
117	H	98	Very high	96.8	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.069	28%	0.276	C	S	.	.			trans	-133	151	-175.1	-65	-69.6	0	0	0	110.2	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.89Å; S37-H117 PolarHBondContact OG-N 2.95Å; S37-H117 PolarHBondContact OG-O 2.96Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; Q111-H117 PolarHBondContact NE2-CE1 2.8Å; Q111-H117 PolarHBondContact OE1-CE1 3.07Å; Q111-H117 PolarHBondContact OE1-ND1 3.48Å; G115-H117 PolarHBondContact O-CD2 3.38Å; G115-H117 VanDerWaalsContact O-CD2 3.25Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.42Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.19Å; H117-D143 IonicContact CG-OD1 3.69Å; H117-D143 IonicContact CG-OD2 3.53Å; H117-D143 IonicContact ND1-OD1 3.82Å; H117-D143 IonicContact ND1-OD2 3.8Å; H117-D143 PolarHBondContact ND1-OD2 3.41Å
118	T	98.6	Very high	96.6	Very high	35 Å²	35	46.2 Å²	46.2	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.8	-174.6	-55.4	0	0	0	0	110.5	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.88Å; S35-T118 CarbonylContact O-C 3.53Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.3Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.52Å; T118-Y142 WeakPolarHBondContact O-CA 3.21Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.44Å; T118-D143 PolarHBondContact N-OD1 2.93Å; T118-D143 PolarHBondContact O-N 2.87Å
119	I	98.7	Very high	96.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.5	162.1	-64.3	172.8	0	0	0	107.9	T34 S35 N101 L102 L105 I121 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.32Å; S35-I119 PolarHBondContact N-O 3.39Å; S35-I119 PolarHBondContact O-N 2.8Å; N101-I119 HydrophobicContact CB-CD1 3.65Å; L102-I119 HydrophobicContact CB-CD1 4.42Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.11Å; L105-I119 HydrophobicContact CD1-CD1 3.57Å; L105-I119 HydrophobicContact CD1-CG1 3.68Å; I119-I121 HydrophobicContact CG2-CD1 4.16Å; I119-I121 HydrophobicContact CG2-CG1 3.97Å; I119-A141 WeakPolarHBondContact CA-O 3.45Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.29Å
120	Q	98.8	Very high	95.9	Very high	80 Å²	80	49 Å²	49	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.9	171.4	-65.4	172.7	-95.1	0	0	109.1	S33 T34 T118 H140 A141	S33-Q120 CarbonylContact O-C 3.57Å; S33-Q120 VanDerWaalsContact O-CA 3.32Å; S33-Q120 WeakPolarHBondContact O-CA 3.41Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-H140 CarbonylContact O-C 3.44Å; Q120-H140 WeakPolarHBondContact O-CA 3.44Å; Q120-A141 HydrophobicContact CB-CB 4.3Å; Q120-A141 PolarHBondContact N-O 2.7Å; Q120-A141 PolarHBondContact O-N 2.85Å
121	I	98.6	Very high	95.7	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.3	179.6	-56.3	170.6	0	0	0	108.2	F32 S33 H94 D98 I119 Y123 Q139 H140	F32-I121 VanDerWaalsContact CA-O 3.32Å; F32-I121 WeakPolarHBondContact CA-O 3.24Å; S33-I121 PolarHBondContact N-O 3.31Å; S33-I121 PolarHBondContact O-N 2.86Å; H94-I121 WeakPolarHBondContact NE2-CD1 3.46Å; D98-I121 WeakPolarHBondContact OD1-CD1 3.35Å; I119-I121 HydrophobicContact CG2-CD1 4.16Å; I119-I121 HydrophobicContact CG2-CG1 3.97Å; I121-Y123 HydrophobicContact CG2-CD1 4.17Å; I121-Q139 WeakPolarHBondContact CA-O 3.3Å; I121-H140 WeakPolarHBondContact CD1-CE1 3.31Å; I121-H140 WeakPolarHBondContact CG1-ND1 3.5Å
122	M	98.6	Very high	95.7	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.4	168.9	-173.3	-79.1	-67.8	0	0	108.8	Y31 F32 Y137 E138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.37Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.28Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.89Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.05Å; M122-E138 CarbonylContact O-C 3.54Å; M122-E138 WeakPolarHBondContact O-CA 3.45Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 HydrophobicContact CE-CG 3.85Å; M122-Q139 PolarHBondContact N-O 3.46Å; M122-Q139 PolarHBondContact O-N 3Å
123	Y	98.6	Very high	95.8	Very high	45 Å²	45	46.4 Å²	46.4	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.9	170.2	66.6	-92.4	0	0	0	111	Y31 I121 Y137 W180 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.29Å; Y31-Y123 AromaticContact CD2-CE2 3.57Å; Y31-Y123 HydrophobicContact CD2-CE2 3.57Å; Y31-Y123 AromaticContact CD2-CZ 3.99Å; Y31-Y123 HydrophobicContact CE2-CE2 4.4Å; Y31-Y123 AromaticContact CG-CE2 3.89Å; Y31-Y123 HydrophobicContact CG-CE2 3.89Å; Y31-Y123 AromaticContact CG-CZ 3.8Å; Y31-Y123 PolarHBondContact N-O 3.32Å; Y31-Y123 PolarHBondContact O-N 2.82Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å; I121-Y123 HydrophobicContact CG2-CD1 4.17Å; Y123-Y137 CarbonylContact C-O 3.56Å; Y123-Y137 WeakPolarHBondContact CA-O 3.31Å; Y123-Y137 VanDerWaalsContact CB-O 3.31Å; Y123-Y137 WeakPolarHBondContact CB-O 3.37Å; Y123-W180 HydrophobicContact CD1-CH2 4.14Å; Y123-W180 HydrophobicContact CD2-CH2 4.25Å; Y123-W180 AromaticContact CD2-CZ3 3.96Å; Y123-W180 HydrophobicContact CD2-CZ3 3.96Å; Y123-W180 HydrophobicContact CE2-CZ3 4.47Å; Y123-W180 AromaticContact CG-CH2 3.99Å; Y123-W180 HydrophobicContact CG-CH2 3.99Å; Y123-W180 HydrophobicContact CG-CZ3 4.05Å; Y123-Y183 AromaticContact CD2-CE1 3.96Å; Y123-Y183 HydrophobicContact CD2-CE1 3.96Å; Y123-Y183 HydrophobicContact CE2-CE1 4.02Å
124	G	98.6	Very high	96.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-177.9	-179.5	0	0	0	0	0	114.2	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; G124-G136 CarbonylContact O-C 3.6Å; G124-G136 WeakPolarHBondContact O-CA 3.32Å; G124-Y137 PolarHBondContact N-O 3.19Å; G124-Y137 PolarHBondContact O-N 3.42Å; G124-L184 VanDerWaalsContact O-CD2 3.24Å; G124-L184 WeakPolarHBondContact O-CD2 3.49Å
125	C	98.6	Very high	96.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.5	-176.3	55.9	0	0	0	0	111.4	S28 M29 F133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.19Å; M29-C125 PolarHBondContact N-O 3.02Å; M29-C125 PolarHBondContact O-N 3.42Å; C125-F133 HydrophobicContact CB-CD2 4.35Å; C125-F133 HydrophobicContact CB-CE2 4.07Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.37Å; C125-C188 PolarHBondContact N-SG 2.87Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 2.99Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.02Å; C125-V189 HydrophobicContact CB-CG2 4.49Å
126	D	98.1	Very high	96.6	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.7	171.9	-58.8	-15.1	0	0	0	109.2	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.5Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å; R30-D126 IonicContact CZ-OD1 3.69Å; R30-D126 IonicContact NE-OD1 2.85Å; R30-D126 PolarHBondContact NE-OD1 2.81Å; R30-D126 IonicContact NH2-OD1 3.47Å; R30-D126 PolarHBondContact NH2-OD1 3.41Å; R30-D126 IonicContact NH2-OD2 3.96Å; R30-D126 PolarHBondContact NH2-OD2 2.85Å; D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.08Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 2.88Å; D126-R135 PolarHBondContact O-N 2.83Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.49Å; D126-Y137 PolarHBondContact OD2-OH 3.31Å
127	V	97	Very high	96.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.7	175	-61.3	0	0	0	0	110.8	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.59Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.42Å; S26-V127 WeakPolarHBondContact CB-O 3.17Å; H27-V127 HydrophobicContact CB-CG2 3.99Å; H27-V127 PolarHBondContact N-O 2.73Å; H27-V127 PolarHBondContact O-N 2.95Å; V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-R132 WeakPolarHBondContact CB-O 3.47Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.93Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.17Å; V127-L196 HydrophobicContact CG2-CD1 4.48Å
128	G	94.1	Very high	96.7	Very high	9 Å²	9	41.2 Å²	41.2	9%	0.093	20%	0.204	C	C	.	.			trans	-74.2	178.5	173.1	0	0	0	0	0	111.9	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 2.81Å; G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.23Å; G128-G131 PolarHBondContact O-N 2.8Å; G128-R132 PolarHBondContact N-O 3.4Å; G128-L134 VanDerWaalsContact N-CD1 3.35Å
129	S	90.1	Very high	96.7	Very high	99 Å²	99	43.3 Å²	43.3	69%	0.692	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.5	176.8	53.7	0	0	0	0	114.6	G25 G131	G25-S129 WeakPolarHBondContact O-CA 3.36Å; G25-S129 WeakPolarHBondContact O-CB 3.36Å; G25-S129 PolarHBondContact O-N 3.2Å; S129-G131 VanDerWaalsContact C-N 3.26Å
130	D	90.4	Very high	96.7	Very high	84 Å²	84	44.1 Å²	44.1	45%	0.449	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5	169.4	59.8	14.9	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 2.81Å; D130-R132 PolarHBondContact O-N 2.94Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 PolarHBondContact OD1-N 3.49Å; D130-R132 IonicContact OD1-NE 3.5Å; D130-R132 IonicContact OD2-CZ 3.7Å; D130-R132 IonicContact OD2-NE 3.85Å; D130-R132 PolarHBondContact OD2-NE 3.23Å; D130-R132 IonicContact OD2-NH2 2.71Å; D130-R132 PolarHBondContact OD2-NH2 3.29Å
131	G	91.8	Very high	96.7	Very high	13 Å²	13	41.2 Å²	41.2	13%	0.134	21%	0.205	C	C	.	.			trans	72.7	4	-177.6	0	0	0	0	0	114.4	G128 S129 R193	G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.23Å; G128-G131 PolarHBondContact O-N 2.8Å; S129-G131 VanDerWaalsContact C-N 3.26Å; G131-R193 PolarHBondContact O-NE 3.23Å; G131-R193 PolarHBondContact O-NH2 3.14Å
132	R	95.6	Very high	96.7	Very high	166 Å²	166	41.5 Å²	41.5	63%	0.626	21%	0.206	S	C	*	.			trans	-75.1	145.5	179.3	-68.5	-171.4	-76.7	179.7	-6.5	111.1	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-R132 WeakPolarHBondContact CB-O 3.47Å; G128-R132 PolarHBondContact N-O 3.4Å; D130-R132 PolarHBondContact O-N 2.94Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 PolarHBondContact OD1-N 3.49Å; D130-R132 IonicContact OD1-NE 3.5Å; D130-R132 IonicContact OD2-CZ 3.7Å; D130-R132 IonicContact OD2-NE 3.85Å; D130-R132 PolarHBondContact OD2-NE 3.23Å; D130-R132 IonicContact OD2-NH2 2.71Å; D130-R132 PolarHBondContact OD2-NH2 3.29Å; R132-L134 PolarHBondContact O-N 2.89Å
133	F	97.6	Very high	96.7	Very high	60 Å²	60	43.6 Å²	43.6	26%	0.263	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	130.7	175.4	-179.4	-101.3	0	0	0	111.1	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.35Å; C125-F133 HydrophobicContact CB-CE2 4.07Å; F133-R135 VanDerWaalsContact CE2-C 3.46Å; F133-R135 VanDerWaalsContact CE2-O 3.3Å; F133-R135 WeakPolarHBondContact CE2-O 3.48Å; F133-G136 VanDerWaalsContact CZ-N 3.27Å; F133-L154 HydrophobicContact CE1-CD1 3.97Å; F133-L154 HydrophobicContact CZ-CD1 3.7Å; F133-L184 HydrophobicContact CE2-CB 4.44Å; F133-L184 WeakPolarHBondContact CE2-O 3.48Å; F133-E185 HydrophobicContact CD1-CG 4.18Å; F133-E185 HydrophobicContact CE1-CG 3.99Å; F133-E185 HydrophobicContact CE2-CG 4.49Å; F133-E185 HydrophobicContact CZ-CG 4.14Å; F133-V189 HydrophobicContact CB-CG2 4.02Å; F133-V189 HydrophobicContact CD2-CG2 3.64Å; F133-V189 HydrophobicContact CG-CG2 4.31Å
134	L	96.8	Very high	96.6	Very high	80 Å²	80	44.2 Å²	44.2	42%	0.419	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-50.1	174.5	-65.9	178.5	0	0	0	111.4	W23 D126 G128 R132	W23-L134 HydrophobicContact CE3-CD1 4.08Å; W23-L134 HydrophobicContact CH2-CD1 4.38Å; W23-L134 HydrophobicContact CZ3-CD1 3.56Å; D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.08Å; G128-L134 VanDerWaalsContact N-CD1 3.35Å; R132-L134 PolarHBondContact O-N 2.89Å
135	R	96.8	Very high	96.6	Very high	93 Å²	93	51.9 Å²	51.9	35%	0.351	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	148.6	-171.7	-172.8	163.6	170.4	145.5	5.6	111.2	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 2.88Å; D126-R135 PolarHBondContact O-N 2.83Å; F133-R135 VanDerWaalsContact CE2-C 3.46Å; F133-R135 VanDerWaalsContact CE2-O 3.3Å; F133-R135 WeakPolarHBondContact CE2-O 3.48Å; R135-Y137 HydrophobicContact CB-CE2 4.25Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.37Å; R135-Y137 HydrophobicContact CG-CE1 4.15Å; R135-Y137 HydrophobicContact CG-CE2 3.87Å; R135-Y137 VanDerWaalsContact NE-CE1 3.25Å; R135-Y137 PolarHBondContact NE-OH 3.12Å; R135-E152 VanDerWaalsContact CZ-CD 3.4Å; R135-E152 IonicContact CZ-OE1 2.67Å; R135-E152 IonicContact NH1-OE1 3.7Å; R135-E152 PolarHBondContact NH1-OE1 2.63Å; R135-E152 IonicContact NH1-OE2 3.57Å; R135-E152 VanDerWaalsContact NH2-CD 3.31Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 3.38Å; R135-E152 PolarHBondContact NH2-OE1 2.89Å
136	G	97.8	Very high	96.6	Very high	5 Å²	5	57.9 Å²	57.9	5%	0.052	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.7	174.7	0	0	0	0	0	110.4	G124 F133	G124-G136 CarbonylContact O-C 3.6Å; G124-G136 WeakPolarHBondContact O-CA 3.32Å; F133-G136 VanDerWaalsContact CZ-N 3.27Å
137	Y	98.3	Very high	96.7	Very high	40 Å²	40	57.1 Å²	57.1	16%	0.157	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.3	-180	-51.5	-96.6	0	0	0	109.1	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 2.74Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.05Å; Y123-Y137 CarbonylContact C-O 3.56Å; Y123-Y137 WeakPolarHBondContact CA-O 3.31Å; Y123-Y137 VanDerWaalsContact CB-O 3.31Å; Y123-Y137 WeakPolarHBondContact CB-O 3.37Å; G124-Y137 PolarHBondContact N-O 3.19Å; G124-Y137 PolarHBondContact O-N 3.42Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.49Å; D126-Y137 PolarHBondContact OD2-OH 3.31Å; R135-Y137 HydrophobicContact CB-CE2 4.25Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.37Å; R135-Y137 HydrophobicContact CG-CE1 4.15Å; R135-Y137 HydrophobicContact CG-CE2 3.87Å; R135-Y137 VanDerWaalsContact NE-CE1 3.25Å; R135-Y137 PolarHBondContact NE-OH 3.12Å
138	E	98.3	Very high	96.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	124.2	157.4	-168.9	-95.1	-134.7	0	0	106.3	M122 H140 L150 W157 W171 W180	M122-E138 CarbonylContact O-C 3.54Å; M122-E138 WeakPolarHBondContact O-CA 3.45Å; E138-H140 VanDerWaalsContact CD-CD2 3.48Å; E138-H140 IonicContact OE1-CD2 3.61Å; E138-H140 IonicContact OE1-NE2 3.5Å; E138-H140 PolarHBondContact OE1-NE2 3.44Å; E138-H140 VanDerWaalsContact OE1-NE2 3.14Å; E138-H140 IonicContact OE2-CD2 2.67Å; E138-H140 PolarHBondContact OE2-CD2 2.82Å; E138-H140 VanDerWaalsContact OE2-CD2 3.24Å; E138-H140 IonicContact OE2-NE2 3.31Å; E138-L150 HydrophobicContact CB-CB 4.03Å; E138-L150 HydrophobicContact CB-CD2 4.32Å; E138-L150 PolarHBondContact O-N 3.14Å; E138-W157 WeakPolarHBondContact OE2-CZ3 3.04Å; E138-W171 WeakPolarHBondContact OE1-CH2 3.5Å; E138-W171 WeakPolarHBondContact OE1-CZ3 3.37Å; E138-W180 HydrophobicContact CB-CD2 4.44Å; E138-W180 HydrophobicContact CG-CD2 4.06Å; E138-W180 HydrophobicContact CG-CG 4.47Å; E138-W180 HydrophobicContact CG-CH2 4.35Å; E138-W180 HydrophobicContact CG-CZ2 3.84Å; E138-W180 PolarHBondContact OE1-NE1 2.83Å
139	Q	98.4	Very high	97	Very high	79 Å²	79	58.2 Å²	58.2	37%	0.369	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.1	178.7	61.9	-168.5	51.7	0	0	111.3	I121 M122 I148 A149	I121-Q139 WeakPolarHBondContact CA-O 3.3Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 HydrophobicContact CE-CG 3.85Å; M122-Q139 PolarHBondContact N-O 3.46Å; M122-Q139 PolarHBondContact O-N 3Å; Q139-I148 WeakPolarHBondContact CA-O 3.33Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	H	98.7	Very high	97.4	Very high	22 Å²	22	54.1 Å²	54.1	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.5	-179.6	-68.3	-130.9	0	0	0	109.6	Q120 I121 E138 Y147 I148 W171	Q120-H140 CarbonylContact O-C 3.44Å; Q120-H140 WeakPolarHBondContact O-CA 3.44Å; I121-H140 WeakPolarHBondContact CD1-CE1 3.31Å; I121-H140 WeakPolarHBondContact CG1-ND1 3.5Å; E138-H140 VanDerWaalsContact CD-CD2 3.48Å; E138-H140 IonicContact OE1-CD2 3.61Å; E138-H140 IonicContact OE1-NE2 3.5Å; E138-H140 PolarHBondContact OE1-NE2 3.44Å; E138-H140 VanDerWaalsContact OE1-NE2 3.14Å; E138-H140 IonicContact OE2-CD2 2.67Å; E138-H140 PolarHBondContact OE2-CD2 2.82Å; E138-H140 VanDerWaalsContact OE2-CD2 3.24Å; E138-H140 IonicContact OE2-NE2 3.31Å; H140-Y147 HydrophobicContact CB-CD1 4.38Å; H140-Y147 WeakPolarHBondContact O-CA 3.48Å; H140-Y147 WeakPolarHBondContact O-CB 3.47Å; H140-Y147 PolarHBondContact O-N 3.34Å; H140-I148 HydrophobicContact CB-CG2 4.08Å; H140-I148 PolarHBondContact N-O 3.15Å; H140-I148 PolarHBondContact O-N 2.89Å; H140-W171 AromaticContact CE1-CH2 3.85Å; H140-W171 AromaticContact NE2-CH2 3.71Å
141	A	98.8	Very high	97.8	Very high	18 Å²	18	52.3 Å²	52.3	15%	0.149	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147	170.3	0	0	0	0	0	110.4	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.45Å; Q120-A141 HydrophobicContact CB-CB 4.3Å; Q120-A141 PolarHBondContact N-O 2.7Å; Q120-A141 PolarHBondContact O-N 2.85Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.22Å
142	Y	98.7	Very high	98	Very high	11 Å²	11	58 Å²	58	4%	0.043	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.9	177	-174.7	-116.8	0	0	0	110	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.18Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.49Å; L105-Y142 HydrophobicContact CD1-CD2 3.46Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.46Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.93Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.45Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 3.31Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.42Å; T118-Y142 CarbonylContact O-C 3.52Å; T118-Y142 WeakPolarHBondContact O-CA 3.21Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.44Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.29Å; Y142-G144 PolarHBondContact O-N 3.42Å; Y142-K145 PolarHBondContact N-O 3.04Å; Y142-K145 PolarHBondContact O-N 2.92Å
143	D	98.1	Very high	98.1	Very high	62 Å²	62	53.9 Å²	53.9	33%	0.332	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	39.6	-175.8	-66.2	-21.4	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.64Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.19Å; H117-D143 IonicContact CG-OD1 3.69Å; H117-D143 IonicContact CG-OD2 3.53Å; H117-D143 IonicContact ND1-OD1 3.82Å; H117-D143 IonicContact ND1-OD2 3.8Å; H117-D143 PolarHBondContact ND1-OD2 3.41Å; T118-D143 PolarHBondContact N-OD1 2.93Å; T118-D143 PolarHBondContact O-N 2.87Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.86Å
144	G	97.1	Very high	98.1	Very high	57 Å²	57	51.3 Å²	51.3	59%	0.588	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	8.6	177.9	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 3.42Å
145	K	98.4	Very high	98.2	Very high	162 Å²	162	55.3 Å²	55.3	70%	0.704	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	145.4	176.6	-62	179.6	-177.1	177.4	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.22Å; Y142-K145 PolarHBondContact N-O 3.04Å; Y142-K145 PolarHBondContact O-N 2.92Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.86Å; K145-Y147 PolarHBondContact O-N 2.95Å
146	D	98.6	Very high	98.2	Very high	126 Å²	126	52.8 Å²	52.8	67%	0.674	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	136.2	173.6	-63.7	-32.3	0	0	0	110.5	A160	D146-A160 HydrophobicContact CB-CB 4.4Å; D146-A160 WeakPolarHBondContact O-CB 3.06Å
147	Y	98.8	Very high	98.3	Very high	10 Å²	10	53 Å²	53	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-63.7	-179.7	179.4	-105.8	0	0	0	110.6	L105 Y109 H140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.27Å; L105-Y147 HydrophobicContact CD2-CE1 3.87Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-OH 3.27Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.48Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.27Å; H140-Y147 HydrophobicContact CB-CD1 4.38Å; H140-Y147 WeakPolarHBondContact O-CA 3.48Å; H140-Y147 WeakPolarHBondContact O-CB 3.47Å; H140-Y147 PolarHBondContact O-N 3.34Å; K145-Y147 PolarHBondContact O-N 2.95Å; Y147-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 PolarHBondContact O-N 3.44Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.91Å; Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.15Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.9Å
148	I	98.8	Very high	98.3	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143.9	177.3	-161	173.1	0	0	0	109.8	Q139 H140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.33Å; H140-I148 HydrophobicContact CB-CG2 4.08Å; H140-I148 PolarHBondContact N-O 3.15Å; H140-I148 PolarHBondContact O-N 2.89Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CD1-CG 4.4Å; I148-W157 HydrophobicContact CG1-CB 4.3Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 WeakPolarHBondContact CA-O 3.48Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; I148-Q168 HydrophobicContact CD1-CB 3.92Å; I148-W171 HydrophobicContact CD1-CE3 4.19Å; I148-W171 HydrophobicContact CG2-CH2 4.28Å; I148-W171 HydrophobicContact CG2-CZ3 3.93Å
149	A	98.8	Very high	98.3	Very high	30 Å²	30	55.8 Å²	55.8	25%	0.248	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.8	177.6	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 WeakPolarHBondContact O-CA 3.24Å; A149-T158 PolarHBondContact N-O 3.08Å; A149-T158 PolarHBondContact O-N 2.98Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.1	170.1	-174.8	64.3	0	0	0	108.9	E138 L154 W157 A177 W180 L184	E138-L150 HydrophobicContact CB-CB 4.03Å; E138-L150 HydrophobicContact CB-CD2 4.32Å; E138-L150 PolarHBondContact O-N 3.14Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.26Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 3.98Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; L150-W157 HydrophobicContact CG-CH2 4.45Å; L150-W157 HydrophobicContact CG-CZ3 4.47Å; L150-A177 HydrophobicContact CD1-CB 3.96Å; L150-W180 HydrophobicContact CD2-CB 4.06Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151	N	98.5	Very high	98.3	Very high	45 Å²	45	56.5 Å²	56.5	24%	0.241	31%	0.313	C	S	.	.			trans	-71	162.6	180	-67.8	-31.1	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.33Å; N151-L154 WeakPolarHBondContact O-CA 3.31Å; N151-L154 PolarHBondContact O-N 3.48Å; N151-S156 WeakPolarHBondContact CB-O 3.18Å; N151-S156 WeakPolarHBondContact CB-OG 3.32Å; N151-S156 PolarHBondContact N-O 3.23Å; N151-S156 PolarHBondContact ND2-O 3.37Å; N151-S156 PolarHBondContact ND2-OG 2.99Å; N151-T158 PolarHBondContact ND2-OG1 2.76Å; N151-T158 WeakPolarHBondContact OD1-CB 3.42Å; N151-T158 PolarHBondContact OD1-OG1 3.46Å
152	E	97.3	Very high	98.2	Very high	134 Å²	134	61.9 Å²	61.9	63%	0.626	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.3	-179.9	-63.8	-177.2	-170.5	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.4Å; R135-E152 IonicContact CZ-OE1 2.67Å; R135-E152 IonicContact NH1-OE1 3.7Å; R135-E152 PolarHBondContact NH1-OE1 2.63Å; R135-E152 IonicContact NH1-OE2 3.57Å; R135-E152 VanDerWaalsContact NH2-CD 3.31Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 3.38Å; R135-E152 PolarHBondContact NH2-OE1 2.89Å; E152-L154 PolarHBondContact O-N 3.11Å
153	D	97.4	Very high	98.2	Very high	79 Å²	79	61.8 Å²	61.8	42%	0.422	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-9	174.7	70.1	5.5	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.33Å; D153-R155 WeakPolarHBondContact O-CG 3.23Å; D153-R155 PolarHBondContact O-N 3.36Å; D153-R155 PolarHBondContact OD1-N 3.37Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.96Å; D153-S156 PolarHBondContact OD1-OG 3.11Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 PolarHBondContact OD2-OG 3.14Å
154	L	98	Very high	98.2	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	32%	0.323	C	S	.	.	S	Bend	trans	53.5	28.7	-175.5	-51.7	177.7	0	0	0	113.8	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.97Å; F133-L154 HydrophobicContact CZ-CD1 3.7Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.26Å; N151-L154 WeakPolarHBondContact O-CA 3.31Å; N151-L154 PolarHBondContact O-N 3.48Å; E152-L154 PolarHBondContact O-N 3.11Å; L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.11Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; L154-E185 HydrophobicContact CD1-CG 4.04Å
155	R	97.6	Very high	98.3	Very high	164 Å²	164	59 Å²	59	62%	0.619	31%	0.308	S	S	*	.	S	Bend	trans	-134.2	-32.4	-174.4	-71.3	170.5	-176.6	-93.7	12.1	112.5	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.23Å; D153-R155 PolarHBondContact O-N 3.36Å; D153-R155 PolarHBondContact OD1-N 3.37Å; R155-R181 VanDerWaalsContact CZ-NH1 3.33Å
156	S	97.8	Very high	98.3	Very high	40 Å²	40	54.1 Å²	54.1	28%	0.28	29%	0.289	S	S	.	.			trans	-116	159.6	-177.3	63.4	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.18Å; N151-S156 WeakPolarHBondContact CB-OG 3.32Å; N151-S156 PolarHBondContact N-O 3.23Å; N151-S156 PolarHBondContact ND2-O 3.37Å; N151-S156 PolarHBondContact ND2-OG 2.99Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.96Å; D153-S156 PolarHBondContact OD1-OG 3.11Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 PolarHBondContact OD2-OG 3.14Å
157	W	98.7	Very high	98.2	Very high	9 Å²	9	49 Å²	49	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.8	-177.9	-63	93.9	0	0	0	110.7	E138 I148 A149 L150 Q168 W171 V176 A177 W180	E138-W157 WeakPolarHBondContact OE2-CZ3 3.04Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CD1-CG 4.4Å; I148-W157 HydrophobicContact CG1-CB 4.3Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 WeakPolarHBondContact O-CA 3.24Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 3.98Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; L150-W157 HydrophobicContact CG-CH2 4.45Å; L150-W157 HydrophobicContact CG-CZ3 4.47Å; W157-Q168 HydrophobicContact CB-CG 4.12Å; W157-Q168 PolarHBondContact O-NE2 2.93Å; W157-Q168 VanDerWaalsContact O-NE2 3.15Å; W157-W171 AromaticContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CZ3 4.5Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 AromaticContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.47Å; W157-W171 HydrophobicContact CZ2-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.47Å; W157-W171 AromaticContact CZ2-CZ3 3.92Å; W157-W171 HydrophobicContact CZ2-CZ3 3.92Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; W157-V176 HydrophobicContact CZ2-CB 4.37Å; W157-V176 HydrophobicContact CZ2-CG1 4.04Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; W157-W180 AromaticContact CH2-CD1 3.84Å
158	T	98.7	Very high	98.2	Very high	77 Å²	77	50.3 Å²	50.3	47%	0.472	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.3	167.1	-67.2	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.48Å; A149-T158 PolarHBondContact N-O 3.08Å; A149-T158 PolarHBondContact O-N 2.98Å; N151-T158 PolarHBondContact ND2-OG1 2.76Å; N151-T158 WeakPolarHBondContact OD1-CB 3.42Å; N151-T158 PolarHBondContact OD1-OG1 3.46Å
159	A	98.6	Very high	98.2	Very high	23 Å²	23	57.3 Å²	57.3	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.9	175.4	0	0	0	0	0	110.6	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.4	Very high	98.2	Very high	60 Å²	60	61.3 Å²	61.3	50%	0.496	31%	0.307	S	S	.	.	S	Bend	trans	-76.1	-30.1	-176.8	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.4Å; D146-A160 WeakPolarHBondContact O-CB 3.06Å; Y147-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 PolarHBondContact O-N 3.44Å
161	D	98	Very high	98.2	Very high	57 Å²	57	63.1 Å²	63.1	31%	0.305	31%	0.313	S	S	.	.	S	Bend	trans	-150.9	-175.5	-178.6	68.5	28.4	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.17Å; Y109-D161 PolarHBondContact OH-OD2 3.18Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 3.32Å; D161-A163 WeakPolarHBondContact OD1-CB 3.04Å; D161-A163 PolarHBondContact OD1-N 3.03Å; D161-A164 PolarHBondContact O-N 2.99Å; D161-A164 PolarHBondContact OD1-N 3.48Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 3.48Å
162	M	97.8	Very high	98.2	Very high	131 Å²	131	65.2 Å²	65.2	65%	0.645	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-29	-179	-65.6	-57.8	-58.2	0	0	113.8
163	A	97.8	Very high	98.2	Very high	9 Å²	9	62.8 Å²	62.8	7%	0.074	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-43.9	175.6	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.91Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 3.32Å; D161-A163 WeakPolarHBondContact OD1-CB 3.04Å; D161-A163 PolarHBondContact OD1-N 3.03Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.92Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 3.38Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-33.5	174.6	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.15Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 2.99Å; D161-A164 PolarHBondContact OD1-N 3.48Å; A164-I166 PolarHBondContact O-N 3.02Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 3.47Å; A164-Q168 PolarHBondContact O-N 3.15Å
165	Q	98.6	Very high	98.2	Very high	59 Å²	59	66.5 Å²	66.5	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-27.3	173	-73.5	176.1	17.9	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 3.48Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.92Å; Q165-R169 WeakPolarHBondContact O-CG 3.31Å; Q165-R169 PolarHBondContact O-N 3.05Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.3	Very high	98.3	Very high	60 Å²	60	59.8 Å²	59.8	31%	0.308	33%	0.325	S	S	.	.	H	α-helix	trans	-67.4	-45.2	174.6	-56.2	171.4	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.31Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.34Å; Y108-I166 HydrophobicContact CE1-CG2 4.33Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 3.9Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 3.38Å; A164-I166 PolarHBondContact O-N 3.02Å; I166-K170 WeakPolarHBondContact O-CG 3.29Å; I166-K170 PolarHBondContact O-N 3.12Å
167	T	98.3	Very high	98.3	Very high	18 Å²	18	58.2 Å²	58.2	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-46.3	174.6	-67.2	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.9Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 3.47Å; T167-R169 PolarHBondContact O-N 3.31Å; T167-K170 WeakPolarHBondContact O-CB 3.14Å; T167-K170 PolarHBondContact O-N 3.41Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.3Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CZ2 4.04Å; T167-W171 PolarHBondContact O-N 3.35Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	63.8 Å²	63.8	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-50.9	-53.8	177.8	175.6	173.8	19.6	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.92Å; W157-Q168 HydrophobicContact CB-CG 4.12Å; W157-Q168 PolarHBondContact O-NE2 2.93Å; W157-Q168 VanDerWaalsContact O-NE2 3.15Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 3.15Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.81Å; Q168-W171 PolarHBondContact O-N 3.25Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.45Å; Q168-E172 PolarHBondContact NE2-OE1 3.48Å; Q168-E172 WeakPolarHBondContact O-CB 3.38Å; Q168-E172 WeakPolarHBondContact O-CG 3.34Å; Q168-E172 PolarHBondContact O-N 2.85Å
169	R	98.6	Very high	98.2	Very high	149 Å²	149	66.6 Å²	66.6	56%	0.562	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-37.3	-179.5	-68.8	171.8	-164.1	148.6	9.7	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.31Å; Q165-R169 PolarHBondContact O-N 3.05Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 3.31Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.34Å; R169-A173 PolarHBondContact O-N 2.04Å
170	K	98.3	Very high	98.2	Very high	114 Å²	114	68 Å²	68	50%	0.496	35%	0.349	S	S	.	.	H	α-helix	trans	-67.4	-43.4	176.6	-72.4	176.9	173.7	-173.2	0	111.6	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.33Å; I166-K170 WeakPolarHBondContact O-CG 3.29Å; I166-K170 PolarHBondContact O-N 3.12Å; T167-K170 WeakPolarHBondContact O-CB 3.14Å; T167-K170 PolarHBondContact O-N 3.41Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.81Å; K170-A173 PolarHBondContact O-N 3.36Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 3.03Å
171	W	98.4	Very high	98.2	Very high	52 Å²	52	68.5 Å²	68.5	20%	0.197	34%	0.338	C	S	.	.	H	α-helix	trans	-71	-36.9	-178.7	-76.6	12	0	0	0	112.3	E138 H140 I148 W157 T167 Q168 A174 H175 V176	E138-W171 WeakPolarHBondContact OE1-CH2 3.5Å; E138-W171 WeakPolarHBondContact OE1-CZ3 3.37Å; H140-W171 AromaticContact CE1-CH2 3.85Å; H140-W171 AromaticContact NE2-CH2 3.71Å; I148-W171 HydrophobicContact CD1-CE3 4.19Å; I148-W171 HydrophobicContact CG2-CH2 4.28Å; I148-W171 HydrophobicContact CG2-CZ3 3.93Å; W157-W171 AromaticContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CZ3 4.5Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 AromaticContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.47Å; W157-W171 HydrophobicContact CZ2-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.47Å; W157-W171 AromaticContact CZ2-CZ3 3.92Å; W157-W171 HydrophobicContact CZ2-CZ3 3.92Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.3Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CZ2 4.04Å; T167-W171 PolarHBondContact O-N 3.35Å; Q168-W171 PolarHBondContact O-N 3.25Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 2.92Å; W171-H175 PolarHBondContact O-N 2.74Å; W171-V176 HydrophobicContact CB-CB 3.95Å; W171-V176 HydrophobicContact CB-CG2 3.93Å; W171-V176 HydrophobicContact CD2-CB 4.45Å; W171-V176 HydrophobicContact CD2-CG1 4.16Å; W171-V176 HydrophobicContact CE3-CG1 4.32Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.32Å; W171-V176 HydrophobicContact CG-CG2 3.91Å; W171-V176 PolarHBondContact O-N 3.4Å
172	E	98.4	Very high	98.2	Very high	90 Å²	90	69 Å²	69	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-48.6	171.2	-72.9	170.4	174.8	0	0	111.1	Q168 A174 H175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.45Å; Q168-E172 PolarHBondContact NE2-OE1 3.48Å; Q168-E172 WeakPolarHBondContact O-CB 3.38Å; Q168-E172 WeakPolarHBondContact O-CG 3.34Å; Q168-E172 PolarHBondContact O-N 2.85Å; E172-A174 PolarHBondContact O-N 2.81Å; E172-H175 PolarHBondContact O-N 3.44Å; E172-H175 VanDerWaalsContact O-N 3.11Å
173	A	98.3	Very high	98.3	Very high	82 Å²	82	65.4 Å²	65.4	68%	0.678	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-28	177.4	0	0	0	0	0	113.4	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.34Å; R169-A173 PolarHBondContact O-N 2.04Å; K170-A173 PolarHBondContact O-N 3.36Å
174	A	98.1	Very high	98.3	Very high	55 Å²	55	65 Å²	65	46%	0.455	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.6	178.1	0	0	0	0	0	113.8	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 3.03Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 2.92Å; E172-A174 PolarHBondContact O-N 2.81Å; A174-V176 HydrophobicContact CB-CG2 3.98Å; A174-V176 PolarHBondContact O-N 2.88Å
175	H	97.6	Very high	98.3	Very high	108 Å²	108	68.8 Å²	68.8	50%	0.5	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	36.4	-179.8	-62.8	-92.4	0	0	0	113.9	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 2.74Å; E172-H175 PolarHBondContact O-N 3.44Å; E172-H175 VanDerWaalsContact O-N 3.11Å; H175-A177 VanDerWaalsContact C-N 3.25Å; H175-A177 PolarHBondContact O-N 3.28Å; H175-E178 HydrophobicContact CB-CG 4.44Å; H175-E178 IonicContact CE1-OE1 3.52Å; H175-E178 IonicContact CG-OE1 3.95Å; H175-E178 IonicContact ND1-OE1 3.9Å; H175-E178 PolarHBondContact ND1-OE1 3.27Å; H175-E178 PolarHBondContact O-N 2.87Å; H175-E178 VanDerWaalsContact O-N 3.12Å
176	V	98.3	Very high	98.3	Very high	24 Å²	24	67 Å²	67	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-33.5	-175.6	176.7	0	0	0	0	111.8	W157 W171 A174 E178 Q179 W180	W157-V176 HydrophobicContact CZ2-CB 4.37Å; W157-V176 HydrophobicContact CZ2-CG1 4.04Å; W171-V176 HydrophobicContact CB-CB 3.95Å; W171-V176 HydrophobicContact CB-CG2 3.93Å; W171-V176 HydrophobicContact CD2-CB 4.45Å; W171-V176 HydrophobicContact CD2-CG1 4.16Å; W171-V176 HydrophobicContact CE3-CG1 4.32Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.32Å; W171-V176 HydrophobicContact CG-CG2 3.91Å; W171-V176 PolarHBondContact O-N 3.4Å; A174-V176 HydrophobicContact CB-CG2 3.98Å; A174-V176 PolarHBondContact O-N 2.88Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 3.11Å; V176-Q179 PolarHBondContact O-N 3.01Å; V176-W180 PolarHBondContact O-N 2.83Å; V176-W180 VanDerWaalsContact O-N 3.12Å
177	A	98.4	Very high	98.3	Very high	7 Å²	7	67 Å²	67	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-35.7	177	0	0	0	0	0	112.7	L150 W157 H175 Q179 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.96Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; H175-A177 VanDerWaalsContact C-N 3.25Å; H175-A177 PolarHBondContact O-N 3.28Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.91Å; A177-W180 PolarHBondContact O-N 3.02Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 2.63Å
178	E	98	Very high	98.3	Very high	126 Å²	126	66.1 Å²	66.1	59%	0.589	34%	0.339	S	S	*	.	H	α-helix	trans	-67.7	-36.8	179.6	-64.4	175.5	-156.5	0	0	111.7	H175 V176 A182	H175-E178 HydrophobicContact CB-CG 4.44Å; H175-E178 IonicContact CE1-OE1 3.52Å; H175-E178 IonicContact CG-OE1 3.95Å; H175-E178 IonicContact ND1-OE1 3.9Å; H175-E178 PolarHBondContact ND1-OE1 3.27Å; H175-E178 PolarHBondContact O-N 2.87Å; H175-E178 VanDerWaalsContact O-N 3.12Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 3.11Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.25Å
179	Q	97.5	Very high	98.3	Very high	135 Å²	135	64.6 Å²	64.6	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-67	-47.1	176.3	-59.2	179.1	23.8	0	0	111	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 3.01Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.91Å; Q179-A182 PolarHBondContact O-N 3.06Å; Q179-Y183 PolarHBondContact O-N 3.27Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	W	98.3	Very high	98.2	Very high	54 Å²	54	63.8 Å²	63.8	21%	0.205	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-42.7	176.4	-84.6	126.6	0	0	0	112	Y123 E138 L150 W157 V176 A177 A182 Y183 L184	Y123-W180 HydrophobicContact CD1-CH2 4.14Å; Y123-W180 HydrophobicContact CD2-CH2 4.25Å; Y123-W180 AromaticContact CD2-CZ3 3.96Å; Y123-W180 HydrophobicContact CD2-CZ3 3.96Å; Y123-W180 HydrophobicContact CE2-CZ3 4.47Å; Y123-W180 AromaticContact CG-CH2 3.99Å; Y123-W180 HydrophobicContact CG-CH2 3.99Å; Y123-W180 HydrophobicContact CG-CZ3 4.05Å; E138-W180 HydrophobicContact CB-CD2 4.44Å; E138-W180 HydrophobicContact CG-CD2 4.06Å; E138-W180 HydrophobicContact CG-CG 4.47Å; E138-W180 HydrophobicContact CG-CH2 4.35Å; E138-W180 HydrophobicContact CG-CZ2 3.84Å; E138-W180 PolarHBondContact OE1-NE1 2.83Å; L150-W180 HydrophobicContact CD2-CB 4.06Å; W157-W180 AromaticContact CH2-CD1 3.84Å; V176-W180 PolarHBondContact O-N 2.83Å; V176-W180 VanDerWaalsContact O-N 3.12Å; A177-W180 PolarHBondContact O-N 3.02Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.86Å; W180-Y183 AromaticContact CE3-CD1 3.89Å; W180-Y183 HydrophobicContact CE3-CD1 3.89Å; W180-Y183 HydrophobicContact CE3-CG 4.49Å; W180-Y183 AromaticContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CE1 4.12Å; W180-Y183 PolarHBondContact O-N 2.83Å; W180-L184 HydrophobicContact CB-CD1 4.44Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.44Å; W180-L184 WeakPolarHBondContact O-CG 3.47Å; W180-L184 PolarHBondContact O-N 3.49Å
181	R	98.4	Very high	98.2	Very high	70 Å²	70	61.8 Å²	61.8	26%	0.264	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-45.3	176	-174.9	172.1	-178.6	-134.8	-12.9	112.1	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.11Å; R155-R181 VanDerWaalsContact CZ-NH1 3.33Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 2.63Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 2.88Å; R181-L184 PolarHBondContact O-N 3.48Å; R181-E185 HydrophobicContact CG-CG 4.16Å; R181-E185 IonicContact CZ-OE1 2.82Å; R181-E185 IonicContact CZ-OE2 3.48Å; R181-E185 IonicContact NE-OE1 3.44Å; R181-E185 PolarHBondContact NE-OE1 2.95Å; R181-E185 IonicContact NE-OE2 2.67Å; R181-E185 PolarHBondContact NE-OE2 3.13Å; R181-E185 IonicContact NH2-OE1 3.72Å; R181-E185 PolarHBondContact NH2-OE1 2.93Å; R181-E185 IonicContact NH2-OE2 3.14Å; R181-E185 PolarHBondContact NH2-OE2 3.36Å; R181-E185 WeakPolarHBondContact O-CB 3.44Å; R181-E185 PolarHBondContact O-N 2.85Å
182	A	98.4	Very high	98.2	Very high	66 Å²	66	59.3 Å²	59.3	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-40.4	177	0	0	0	0	0	112.4	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.25Å; Q179-A182 PolarHBondContact O-N 3.06Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.86Å; A182-G186 PolarHBondContact O-N 3.13Å; A182-G186 VanDerWaalsContact O-N 3.17Å
183	Y	98.3	Very high	98.1	Very high	56 Å²	56	60.8 Å²	60.8	22%	0.22	32%	0.316	C	S	.	.	I	π-helix	trans	-66.2	-47.8	174.6	171.5	-96.6	0	0	0	112.3	Y123 Q179 W180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.96Å; Y123-Y183 HydrophobicContact CD2-CE1 3.96Å; Y123-Y183 HydrophobicContact CE2-CE1 4.02Å; Q179-Y183 PolarHBondContact O-N 3.27Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; W180-Y183 AromaticContact CE3-CD1 3.89Å; W180-Y183 HydrophobicContact CE3-CD1 3.89Å; W180-Y183 HydrophobicContact CE3-CG 4.49Å; W180-Y183 AromaticContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CE1 4.12Å; W180-Y183 PolarHBondContact O-N 2.83Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 2.88Å; Y183-G186 CarbonylContact O-C 3.51Å; Y183-T187 HydrophobicContact CD2-CG2 3.96Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.21Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3.24Å
184	L	98.6	Very high	98.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-70.1	-43	-173.6	-69.4	171.8	0	0	0	112.5	G124 F133 L150 L154 W180 R181 V189	G124-L184 VanDerWaalsContact O-CD2 3.24Å; G124-L184 WeakPolarHBondContact O-CD2 3.49Å; F133-L184 HydrophobicContact CE2-CB 4.44Å; F133-L184 WeakPolarHBondContact CE2-O 3.48Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; W180-L184 HydrophobicContact CB-CD1 4.44Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.44Å; W180-L184 WeakPolarHBondContact O-CG 3.47Å; W180-L184 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 3.48Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å
185	E	98.3	Very high	98	Very high	80 Å²	80	59.8 Å²	59.8	37%	0.374	28%	0.284	S	S	.	.	I	π-helix	trans	-78.3	-22.2	178.1	-67.2	-178.4	172.6	0	0	112.5	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.18Å; F133-E185 HydrophobicContact CE1-CG 3.99Å; F133-E185 HydrophobicContact CE2-CG 4.49Å; F133-E185 HydrophobicContact CZ-CG 4.14Å; L154-E185 HydrophobicContact CD1-CG 4.04Å; R181-E185 HydrophobicContact CG-CG 4.16Å; R181-E185 IonicContact CZ-OE1 2.82Å; R181-E185 IonicContact CZ-OE2 3.48Å; R181-E185 IonicContact NE-OE1 3.44Å; R181-E185 PolarHBondContact NE-OE1 2.95Å; R181-E185 IonicContact NE-OE2 2.67Å; R181-E185 PolarHBondContact NE-OE2 3.13Å; R181-E185 IonicContact NH2-OE1 3.72Å; R181-E185 PolarHBondContact NH2-OE1 2.93Å; R181-E185 IonicContact NH2-OE2 3.14Å; R181-E185 PolarHBondContact NH2-OE2 3.36Å; R181-E185 WeakPolarHBondContact O-CB 3.44Å; R181-E185 PolarHBondContact O-N 2.85Å
186	G	98.1	Very high	98	Very high	23 Å²	23	55.3 Å²	55.3	24%	0.237	26%	0.263	C	S	.	.	I	π-helix	trans	-109.6	-94.2	-176.8	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.13Å; A182-G186 VanDerWaalsContact O-N 3.17Å; Y183-G186 CarbonylContact O-C 3.51Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.87Å; G186-V189 PolarHBondContact O-N 3.05Å; G186-E190 PolarHBondContact O-N 3.39Å
187	T	97.9	Very high	97.9	Very high	58 Å²	58	60.1 Å²	60.1	36%	0.356	28%	0.284	S	S	.	.	I	π-helix	trans	-49.7	-45	-172.3	-55	0	0	0	0	113.5	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.96Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.21Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 3.05Å; T187-E190 PolarHBondContact O-N 2.9Å; T187-W191 PolarHBondContact O-N 3.41Å
188	C	98.4	Very high	97.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-46.9	179.9	-174.9	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.36Å; M29-C188 WeakPolarHBondContact CE-SG 3.21Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.37Å; C125-C188 PolarHBondContact N-SG 2.87Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 2.99Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.02Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3.24Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.87Å; C188-W191 PolarHBondContact O-N 3.28Å; C188-L192 WeakPolarHBondContact O-CB 3.02Å; C188-L192 PolarHBondContact O-N 2.83Å
189	V	98.4	Very high	97.6	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-41.6	179.3	173.6	0	0	0	0	111.2	C125 V127 F133 L184 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.49Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.93Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; F133-V189 HydrophobicContact CB-CG2 4.02Å; F133-V189 HydrophobicContact CD2-CG2 3.64Å; F133-V189 HydrophobicContact CG-CG2 4.31Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å; G186-V189 PolarHBondContact O-N 3.05Å; T187-V189 PolarHBondContact O-N 3.05Å; V189-L192 PolarHBondContact O-N 3.3Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 3.31Å
190	E	98.1	Very high	97.4	Very high	133 Å²	133	55.1 Å²	55.1	62%	0.621	26%	0.26	S	S	*	.	H	α-helix	trans	-61.4	-46.5	177.8	-70.9	179.6	176.2	0	0	111.9	G186 T187 R194	G186-E190 PolarHBondContact O-N 3.39Å; T187-E190 PolarHBondContact O-N 2.9Å; E190-R194 PolarHBondContact O-N 3.12Å; E190-R194 VanDerWaalsContact O-N 3.14Å
191	W	98	Very high	97.1	Very high	72 Å²	72	61.1 Å²	61.1	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-67.3	-43.3	177	-81.7	110.5	0	0	0	112.6	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CH2 3.45Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CZ2 4.08Å; Y83-W191 AromaticContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CE3 4.39Å; Y83-W191 AromaticContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CZ2 4.3Å; Y83-W191 AromaticContact CE2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CZ3 3.83Å; T187-W191 PolarHBondContact O-N 3.41Å; C188-W191 PolarHBondContact O-N 3.28Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.61Å; W191-R194 WeakPolarHBondContact O-CB 3.35Å; W191-R194 PolarHBondContact O-N 3.4Å; W191-R194 VanDerWaalsContact O-N 3.12Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE1 3.44Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.39Å
192	L	98.3	Very high	96.8	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-45.9	176.9	174.8	52.3	0	0	0	111.1	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.41Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.44Å; M29-L192 HydrophobicContact SD-CB 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.17Å; C188-L192 WeakPolarHBondContact O-CB 3.02Å; C188-L192 PolarHBondContact O-N 2.83Å; V189-L192 PolarHBondContact O-N 3.3Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.9Å; L192-Y195 PolarHBondContact O-N 3.37Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 2.86Å
193	R	97.1	Very high	96.5	Very high	120 Å²	120	57 Å²	57	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-42.8	175.6	-72.5	174.5	-176.6	171.2	2.1	112.4	G131 V189 W191 L196 E197	G131-R193 PolarHBondContact O-NE 3.23Å; G131-R193 PolarHBondContact O-NH2 3.14Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 3.31Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.61Å; R193-L196 PolarHBondContact O-N 3.15Å; R193-E197 PolarHBondContact O-N 2.86Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	96.9	Very high	96.1	Very high	115 Å²	115	58.4 Å²	58.4	43%	0.434	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.4	176.3	178	175.3	139.2	-0.7	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.62Å; E79-R194 IonicContact OE1-NE 3.66Å; E79-R194 PolarHBondContact OE1-NE 3.31Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 3.42Å; E79-R194 VanDerWaalsContact OE1-NH2 3.14Å; E79-R194 IonicContact OE2-CZ 3.03Å; E79-R194 IonicContact OE2-NE 3.32Å; E79-R194 IonicContact OE2-NH2 2.71Å; E79-R194 PolarHBondContact OE2-NH2 3.5Å; E190-R194 PolarHBondContact O-N 3.12Å; E190-R194 VanDerWaalsContact O-N 3.14Å; W191-R194 WeakPolarHBondContact O-CB 3.35Å; W191-R194 PolarHBondContact O-N 3.4Å; W191-R194 VanDerWaalsContact O-N 3.12Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.9Å; R194-E197 PolarHBondContact O-N 3.44Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 VanDerWaalsContact O-CG 3.23Å; R194-N198 PolarHBondContact O-N 3.13Å; R194-N198 PolarHBondContact O-OD1 3.36Å
195	Y	97.4	Very high	95.8	Very high	2 Å²	2	62 Å²	62	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-39.4	178.6	-61.8	-27.4	0	0	0	112.3	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å; V52-Y195 HydrophobicContact CG2-CD2 4.01Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å; W75-Y195 HydrophobicContact CH2-CG 4.23Å; W75-Y195 AromaticContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD2 4.44Å; W75-Y195 AromaticContact CZ3-CG 3.72Å; W75-Y195 HydrophobicContact CZ3-CG 3.72Å; I76-Y195 HydrophobicContact CD1-CD1 3.77Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE1 3.44Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.39Å; L192-Y195 PolarHBondContact O-N 3.37Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.19Å; Y195-N198 PolarHBondContact O-N 2.84Å; Y195-G199 WeakPolarHBondContact O-CA 3.4Å; Y195-G199 PolarHBondContact O-N 2.86Å; Y195-L203 WeakPolarHBondContact O-CD1 3.37Å
196	L	96.2	Very high	95.5	Very high	14 Å²	14	60.9 Å²	60.9	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-35.2	174.6	-71.3	169.1	0	0	0	112.7	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.38Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å; V52-L196 HydrophobicContact CG1-CD2 4.02Å; V127-L196 HydrophobicContact CG2-CD1 4.48Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 2.86Å; R193-L196 PolarHBondContact O-N 3.15Å; L196-K200 WeakPolarHBondContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CB 3.39Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 PolarHBondContact O-NE2 3.08Å
197	E	95.8	Very high	95.4	Very high	124 Å²	124	62.3 Å²	62.3	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-72.8	-48.1	174.4	-171.9	59.8	-151.6	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.86Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.44Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.19Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.21Å; E197-K200 WeakPolarHBondContact O-CB 3.31Å; E197-K200 PolarHBondContact O-N 2.91Å
198	N	96.1	Very high	95.3	Very high	54 Å²	54	62.6 Å²	62.6	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-40.2	178.6	-78.8	0.8	0	0	0	112.8	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 2.98Å; E79-N198 PolarHBondContact OE1-ND2 3.32Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 VanDerWaalsContact O-CG 3.23Å; R194-N198 PolarHBondContact O-N 3.13Å; R194-N198 PolarHBondContact O-OD1 3.36Å; Y195-N198 PolarHBondContact O-N 2.84Å
199	G	95.3	Very high	95.3	Very high	3 Å²	3	63 Å²	63	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	18.1	-176	0	0	0	0	0	113.9	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.4Å; Y195-G199 PolarHBondContact O-N 2.86Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.21Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact O-N 3.13Å; G199-T202 PolarHBondContact O-N 3.12Å; G199-L203 PolarHBondContact O-N 3.02Å
200	K	93.6	Very high	95.3	Very high	107 Å²	107	70.2 Å²	70.2	47%	0.465	33%	0.325	S	S	.	.	H	α-helix	trans	-48.8	-43.8	-171.2	-177.2	172.3	-175.1	171.7	0	114.3	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CB 3.39Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.31Å; E197-K200 PolarHBondContact O-N 2.91Å; K200-T202 PolarHBondContact O-N 3Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.22Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	91.6	Very high	95.2	Very high	180 Å²	180	65.6 Å²	65.6	84%	0.841	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-23	180	-62.7	-175.4	167.1	0	0	113.7	G199	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact O-N 3.13Å
202	T	91.1	Very high	95	Very high	45 Å²	45	66 Å²	66	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-105.3	-44.6	-178.2	-54.6	0	0	0	0	112.2	G199 K200 R205	G199-T202 PolarHBondContact O-N 3.12Å; K200-T202 PolarHBondContact O-N 3Å; T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.37Å
203	L	92	Very high	94.8	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-84	-29.7	-172.1	-62.3	172.5	0	0	0	113	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.04Å; W75-L203 HydrophobicContact CZ2-CG 4.31Å; Y195-L203 WeakPolarHBondContact O-CD1 3.37Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 3.02Å
204	Q	90.6	Very high	94.7	Very high	86 Å²	86	63.5 Å²	63.5	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	-102.6	15.1	177.8	-57.2	179.2	35.7	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.08Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.22Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	92.1	Very high	94.5	Very high	76 Å²	76	60.9 Å²	60.9	29%	0.287	30%	0.3	S	S	.	.			trans	-81.5	153.9	172.8	87.5	-174.7	179.9	-144.9	-9.7	109.6	T202 D207 Y233	T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.37Å; R205-D207 WeakPolarHBondContact CD-OD2 3.37Å; R205-D207 IonicContact CZ-OD2 3.7Å; R205-D207 IonicContact NE-OD2 3.7Å; R205-D207 PolarHBondContact NE-OD2 3.02Å; R205-D207 IonicContact NH2-OD2 3.83Å; R205-Y233 HydrophobicContact CG-CD1 3.95Å; R205-Y233 HydrophobicContact CG-CE1 4.36Å; R205-Y233 WeakPolarHBondContact O-CD1 3.25Å
206	T	92.8	Very high	94.3	Very high	56 Å²	56	64.8 Å²	64.8	34%	0.344	32%	0.318	S	S	.	.			trans	-133.2	113.8	172.1	-32	0	0	0	0	108.4	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.37Å; T206-Y233 WeakPolarHBondContact CG2-O 3.15Å; T206-E288 HydrophobicContact CG2-CB 3.96Å; T206-E288 HydrophobicContact CG2-CG 4.02Å
207	D	95.3	Very high	94.1	Very high	52 Å²	52	68.7 Å²	68.7	28%	0.278	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-100.9	112.6	-179.8	-62.1	-42.9	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 WeakPolarHBondContact CD-OD2 3.37Å; R205-D207 IonicContact CZ-OD2 3.7Å; R205-D207 IonicContact NE-OD2 3.7Å; R205-D207 PolarHBondContact NE-OD2 3.02Å; R205-D207 IonicContact NH2-OD2 3.83Å; D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.42Å; D207-Y233 PolarHBondContact N-O 3.24Å; D207-Y233 PolarHBondContact O-N 3.37Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; D207-H287 PolarHBondContact O-CE1 2.94Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å
208	P	96.8	Very high	93.9	Very high	64 Å²	64	67.4 Å²	67.4	42%	0.416	34%	0.34	S	S	.	.			trans	-68.6	147.1	-179.3	25.6	-32.7	0	0	0	111.7	K210 L290	P208-K210 PolarHBondContact O-N 3Å; P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.48Å
209	P	97.8	Very high	93.7	Very high	8 Å²	8	67.3 Å²	67.3	5%	0.052	34%	0.344	C	S	.	.			trans	-65.4	132.3	178.7	27.1	-34.9	0	0	0	112	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.3Å; P209-T211 PolarHBondContact O-N 2.86Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.05Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.04Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.19Å
210	K	97.8	Very high	93.4	Very high	159 Å²	159	74.3 Å²	74.3	69%	0.691	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	107.6	164.5	-64.9	175	-173	168.7	0	108	P208 L230	P208-K210 PolarHBondContact O-N 3Å; K210-L230 PolarHBondContact N-O 2.89Å; K210-L230 PolarHBondContact O-N 3.46Å
211	T	96.8	Very high	93.3	Very high	37 Å²	37	76 Å²	76	23%	0.227	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.2	-174.8	58.5	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.3Å; P209-T211 PolarHBondContact O-N 2.86Å; T211-W228 WeakPolarHBondContact CA-O 3.25Å; T211-A229 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.2Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; T211-L294 HydrophobicContact CG2-CD1 4.2Å; T211-L296 HydrophobicContact CG2-CD1 4.06Å
212	H	93.9	Very high	93.4	Very high	79 Å²	79	71.8 Å²	71.8	37%	0.366	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.3	170.2	67.4	-78.2	0	0	0	110.5	W228	H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.9Å; H212-W228 AromaticContact CE1-CG 3.57Å; H212-W228 PolarHBondContact N-O 3.14Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.46Å
213	M	94.8	Very high	93.6	Very high	35 Å²	35	69.7 Å²	69.7	17%	0.172	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.7	177.6	-75.2	-176.3	55.2	0	0	111.2	L225 R226 W241 L296 W298	M213-L225 HydrophobicContact CE-CB 4.4Å; M213-L225 HydrophobicContact CE-CD1 4.28Å; M213-L225 HydrophobicContact CE-CD2 4.25Å; M213-R226 WeakPolarHBondContact CA-O 3.44Å; M213-W241 HydrophobicContact CE-CH2 3.47Å; M213-W241 VanDerWaalsContact CE-CH2 3.47Å; M213-W241 HydrophobicContact CE-CZ2 4.38Å; M213-W241 HydrophobicContact CE-CZ3 4.23Å; M213-W241 HydrophobicContact SD-CH2 4.27Å; M213-L296 HydrophobicContact CG-CB 4.31Å; M213-L296 HydrophobicContact SD-CB 3.81Å; M213-W298 VanDerWaalsContact CE-CA 3.49Å; M213-W298 HydrophobicContact CE-CB 3.52Å; M213-W298 HydrophobicContact CE-CG 4.41Å; M213-W298 VanDerWaalsContact CE-N 3.33Å; M213-W298 PolarHBondContact SD-N 3.1Å; M213-W298 VanDerWaalsContact SD-N 3.45Å
214	T	93.9	Very high	93.8	Very high	34 Å²	34	70.6 Å²	70.6	21%	0.209	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.9	174.2	55.3	0	0	0	0	109.2	H216 R226 W228	T214-H216 VanDerWaalsContact CB-CE1 3.48Å; T214-H216 WeakPolarHBondContact CB-CE1 3.23Å; T214-H216 PolarHBondContact OG1-CE1 2.9Å; T214-R226 PolarHBondContact N-O 2.8Å; T214-R226 PolarHBondContact O-N 3.39Å; T214-R226 WeakPolarHBondContact OG1-CB 3.12Å; T214-R226 PolarHBondContact OG1-O 2.83Å; T214-W228 PolarHBondContact OG1-NE1 2.67Å; T214-W228 VanDerWaalsContact OG1-NE1 3.11Å
215	H	93.7	Very high	94.1	Very high	59 Å²	59	66.5 Å²	66.5	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.8	-178.3	169.1	-94.3	0	0	0	108.7	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.27Å; H215-T224 WeakPolarHBondContact CA-O 3.35Å; H215-L225 HydrophobicContact CB-CD2 4.03Å; H215-W298 HydrophobicContact CB-CZ2 4.16Å; H215-W298 AromaticContact CG-CE2 3.92Å; H215-W298 AromaticContact CG-CZ2 3.83Å
216	H	92.8	Very high	94.4	Very high	84 Å²	84	65.4 Å²	65.4	39%	0.389	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	105.4	-177.9	-58.7	86.4	0	0	0	109	T214 I218 A223 T224 R226	T214-H216 VanDerWaalsContact CB-CE1 3.48Å; T214-H216 WeakPolarHBondContact CB-CE1 3.23Å; T214-H216 PolarHBondContact OG1-CE1 2.9Å; H216-I218 PolarHBondContact O-N 2.98Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; H216-T224 PolarHBondContact N-O 2.97Å; H216-T224 PolarHBondContact O-N 2.9Å; H216-R226 PolarHBondContact CE1-NH1 2.84Å
217	P	92.6	Very high	94.6	Very high	96 Å²	96	62.8 Å²	62.8	62%	0.623	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	131.2	172.7	-20.9	31.4	0	0	0	110.7
218	I	91.3	Very high	94.7	Very high	97 Å²	97	62.5 Å²	62.5	50%	0.497	32%	0.319	S	S	.	.			trans	-99.2	-44.3	174.5	-52.4	172.6	0	0	0	109.2	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.98Å; I218-E222 PolarHBondContact N-O 2.71Å; I218-T224 VanDerWaalsContact CD1-OG1 3.3Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.34Å; I218-V272 HydrophobicContact CD1-CG1 3.95Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å
219	S	91.8	Very high	94.8	Very high	53 Å²	53	59.5 Å²	59.5	37%	0.371	30%	0.299	S	S	.	.	S	Bend	trans	-147.4	-179.3	177.9	72.5	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.14Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.94Å; S219-E222 PolarHBondContact N-O 2.79Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.09Å
220	D	88.4	Confident	94.8	Very high	149 Å²	149	61.7 Å²	61.7	80%	0.797	31%	0.31	S	S	*	.	S	Bend	trans	-62.4	-19.1	172.9	-65.7	-22.4	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 2.93Å
221	H	91.9	Very high	94.8	Very high	143 Å²	143	55.3 Å²	55.3	66%	0.662	29%	0.29	S	S	*	.	S	Bend	trans	-107.5	-15.3	-174.1	-55.6	-48.8	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.14Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.94Å; H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.46Å; H221-S275 PolarHBondContact O-N 3.33Å; H221-S275 PolarHBondContact O-OG 3.33Å
222	E	94.4	Very high	94.8	Very high	92 Å²	92	53.6 Å²	53.6	43%	0.43	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146	-171.8	-65.9	-179.6	166.2	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.71Å; S219-E222 PolarHBondContact N-O 2.79Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.09Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.35Å; E222-V273 WeakPolarHBondContact CA-O 3.3Å; E222-S275 PolarHBondContact N-OG 3.01Å
223	A	94.6	Very high	94.9	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.5	172.1	0	0	0	0	0	111.3	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.27Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å; A223-V273 PolarHBondContact N-O 3.25Å; A223-V273 WeakPolarHBondContact O-CG2 3.42Å; A223-V273 PolarHBondContact O-N 3.4Å
224	T	96.4	Very high	94.8	Very high	22 Å²	22	49.2 Å²	49.2	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.2	168.1	-52.8	0	0	0	0	109.7	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.35Å; H216-T224 PolarHBondContact N-O 2.97Å; H216-T224 PolarHBondContact O-N 2.9Å; I218-T224 VanDerWaalsContact CD1-OG1 3.3Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.34Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.29Å
225	L	96.7	Very high	94.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.8	163	-67.4	-179.4	0	0	0	108.9	M213 H215 W241 A270 V271 V273 E278 W298	M213-L225 HydrophobicContact CE-CB 4.4Å; M213-L225 HydrophobicContact CE-CD1 4.28Å; M213-L225 HydrophobicContact CE-CD2 4.25Å; H215-L225 HydrophobicContact CB-CD2 4.03Å; L225-W241 HydrophobicContact CB-CH2 3.65Å; L225-W241 HydrophobicContact CB-CZ2 3.92Å; L225-W241 HydrophobicContact CD1-CH2 4.13Å; L225-W241 HydrophobicContact CD1-CZ3 4.35Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.35Å; L225-V271 HydrophobicContact CB-CG1 4.3Å; L225-V271 PolarHBondContact N-O 3.3Å; L225-V271 PolarHBondContact O-N 2.86Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 3.96Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.02Å; L225-E278 HydrophobicContact CD1-CG 4.38Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.97Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.86Å
226	R	97.3	Very high	95	Very high	54 Å²	54	52.2 Å²	52.2	20%	0.204	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.9	175.8	-179.5	-176.6	-61.1	119.7	2.1	110.5	M213 T214 H216 W228 W268 A269 A270	M213-R226 WeakPolarHBondContact CA-O 3.44Å; T214-R226 PolarHBondContact N-O 2.8Å; T214-R226 PolarHBondContact O-N 3.39Å; T214-R226 WeakPolarHBondContact OG1-CB 3.12Å; T214-R226 PolarHBondContact OG1-O 2.83Å; H216-R226 PolarHBondContact CE1-NH1 2.84Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.26Å; R226-A269 WeakPolarHBondContact CA-O 3.47Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	97.4	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.3	176	-175.4	0	0	0	0	109.4	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.72Å; C227-W268 CarbonylContact O-C 3.49Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.36Å; C227-A269 PolarHBondContact N-O 3.06Å; C227-A269 PolarHBondContact O-N 3.18Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.05Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.11Å
228	W	98	Very high	95.3	Very high	47 Å²	47	46.9 Å²	46.9	18%	0.178	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.1	-179.1	-69.1	89.4	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.25Å; H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.9Å; H212-W228 AromaticContact CE1-CG 3.57Å; H212-W228 PolarHBondContact N-O 3.14Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.46Å; T214-W228 PolarHBondContact OG1-NE1 2.67Å; T214-W228 VanDerWaalsContact OG1-NE1 3.11Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.42Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.27Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å
229	A	98.3	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.6	164.2	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.45Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.09Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.07Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.39Å; A229-K267 PolarHBondContact N-O 2.82Å; A229-K267 PolarHBondContact O-N 3.25Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230	L	98.1	Very high	95.8	Very high	55 Å²	55	42 Å²	42	29%	0.288	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.1	-175.3	-58.7	179.4	0	0	0	111.3	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.89Å; K210-L230 PolarHBondContact O-N 3.46Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; L230-F232 PolarHBondContact O-N 2.89Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å
231	G	97.3	Very high	96.2	Very high	25 Å²	25	35 Å²	35	26%	0.258	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.4	32.3	167.7	0	0	0	0	0	113.9	F265	G231-F265 PolarHBondContact N-O 3.45Å
232	F	97.3	Very high	96.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	155.6	179.8	58.8	-90	0	0	0	112.5	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.42Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.09Å; L230-F232 PolarHBondContact O-N 2.89Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.92Å; F232-T264 WeakPolarHBondContact O-CA 3.34Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.24Å; F232-F265 PolarHBondContact O-N 3.24Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.4	Very high	96.5	Very high	4 Å²	4	29 Å²	29	2%	0.016	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-151.4	135.2	173.5	178.9	-85.1	0	0	0	109.1	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.24Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.49Å; T55-Y233 PolarHBondContact OG1-OH 2.78Å; R205-Y233 HydrophobicContact CG-CD1 3.95Å; R205-Y233 HydrophobicContact CG-CE1 4.36Å; R205-Y233 WeakPolarHBondContact O-CD1 3.25Å; T206-Y233 WeakPolarHBondContact CA-O 3.37Å; T206-Y233 WeakPolarHBondContact CG2-O 3.15Å; D207-Y233 PolarHBondContact N-O 3.24Å; D207-Y233 PolarHBondContact O-N 3.37Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.44Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; Y233-H287 PolarHBondContact O-CE1 3.49Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å
234	P	94.4	Very high	96.5	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.123	18%	0.175	C	C	.	.	S	Bend	cis	-73.7	179.3	3.9	31.4	-37	0	0	0	113.4	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.1Å; P234-H287 PolarHBondContact O-NE2 3.38Å
235	A	95.7	Very high	96.1	Very high	14 Å²	14	35.2 Å²	35.2	12%	0.116	19%	0.193	C	C	.	.	S	Bend	trans	-69.4	-25.4	-175.6	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 2.89Å; A235-I237 PolarHBondContact O-N 3.16Å; A235-I237 VanDerWaalsContact O-N 3.17Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.7Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.73Å
236	E	95.1	Very high	96	Very high	142 Å²	142	42.1 Å²	42.1	66%	0.664	23%	0.225	S	C	*	.			trans	-64.4	115.8	179.4	-172.2	58.7	-148.3	0	0	110.3	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.1Å; E236-H287 PolarHBondContact O-CD2 2.87Å
237	I	95.8	Very high	95.8	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.062	24%	0.241	C	C	.	.			trans	-151.2	143.5	-178.8	-164.4	171.2	0	0	0	109.4	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.05Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3.16Å; A235-I237 VanDerWaalsContact O-N 3.17Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.62Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.29Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238	T	96.6	Very high	95.6	Very high	55 Å²	55	45.4 Å²	45.4	34%	0.337	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123	174.4	-51.5	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.5Å; T238-Q286 PolarHBondContact N-O 3.03Å; T238-Q286 PolarHBondContact O-N 2.95Å
239	L	97.1	Very high	95.2	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.4	172.4	-86.8	62.4	0	0	0	108.3	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.07Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.14Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; L239-H284 WeakPolarHBondContact CA-O 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	96.3	Very high	94.7	Very high	40 Å²	40	57.7 Å²	57.7	25%	0.245	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.5	175.8	58.2	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.46Å; T240-H284 PolarHBondContact N-O 2.98Å; T240-H284 PolarHBondContact O-N 3.41Å
241	W	96.9	Very high	94.1	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.011	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.9	170.7	-82.7	105.5	0	0	0	110.2	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.47Å; M213-W241 VanDerWaalsContact CE-CH2 3.47Å; M213-W241 HydrophobicContact CE-CZ2 4.38Å; M213-W241 HydrophobicContact CE-CZ3 4.23Å; M213-W241 HydrophobicContact SD-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.65Å; L225-W241 HydrophobicContact CB-CZ2 3.92Å; L225-W241 HydrophobicContact CD1-CH2 4.13Å; L225-W241 HydrophobicContact CD1-CZ3 4.35Å; C227-W241 HydrophobicContact CB-CZ2 3.72Å; W241-Q248 HydrophobicContact CB-CB 4.19Å; W241-Q248 PolarHBondContact O-N 2.89Å; W241-A269 VanDerWaalsContact NE1-C 3.33Å; W241-A269 PolarHBondContact NE1-O 3.48Å; W241-V271 HydrophobicContact CD2-CB 4.42Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 3.92Å; W241-V271 HydrophobicContact CG-CB 4.24Å; W241-V271 HydrophobicContact CG-CG1 3.92Å; W241-V271 HydrophobicContact CH2-CG1 4.34Å; W241-V271 HydrophobicContact CZ2-CG1 4.11Å; W241-V271 HydrophobicContact CZ3-CG1 4.29Å; W241-T282 WeakPolarHBondContact CA-O 3.38Å; W241-T282 VanDerWaalsContact CE3-C 3.45Å; W241-T282 VanDerWaalsContact CE3-O 3.31Å; W241-C283 HydrophobicContact CD2-CB 4.21Å; W241-C283 HydrophobicContact CE3-CB 4.13Å; W241-C283 HydrophobicContact CH2-CB 4.07Å; W241-C283 HydrophobicContact CZ2-CB 4.11Å; W241-C283 HydrophobicContact CZ3-CB 4.06Å
242	Q	96.5	Very high	94	Very high	41 Å²	41	60.2 Å²	60.2	19%	0.192	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.5	172.3	-70	-174.7	-7.3	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.44Å; Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.27Å; Q242-T282 PolarHBondContact N-O 2.93Å; Q242-T282 PolarHBondContact O-N 3.45Å; Q242-H284 PolarHBondContact OE1-CE1 2.91Å; Q242-H284 PolarHBondContact OE1-NE2 3.5Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å
243	R	95.9	Very high	93.9	Very high	69 Å²	69	65.5 Å²	65.5	26%	0.26	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.9	169.1	-175.9	-172.8	-177.3	-180	-2.2	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.79Å; R243-E246 PolarHBondContact N-O 2.66Å; R243-E246 PolarHBondContact O-N 3.4Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-E277 IonicContact CZ-OE2 3.69Å; R243-E277 IonicContact NE-OE2 3.14Å; R243-E277 IonicContact NH2-OE1 3.52Å; R243-E277 IonicContact NH2-OE2 3.24Å; R243-E277 PolarHBondContact NH2-OE2 2.84Å; R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.34Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 WeakPolarHBondContact CD-OH 3.32Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.17Å; R243-Y281 PolarHBondContact NE-OH 3.47Å
244	D	93.3	Very high	93.9	Very high	102 Å²	102	69.6 Å²	69.6	55%	0.545	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	28.9	-174.5	-55.4	-47.2	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.43Å; D244-R280 IonicContact OD1-NE 3.95Å; D244-R280 IonicContact OD2-CZ 2.87Å; D244-R280 IonicContact OD2-NE 3.75Å; D244-R280 PolarHBondContact OD2-NE 3.38Å; D244-R280 IonicContact OD2-NH2 3.69Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å
245	G	89.1	Confident	94	Very high	50 Å²	50	70.2 Å²	70.2	52%	0.515	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-0.8	-177.9	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.79Å
246	E	93.9	Very high	94	Very high	146 Å²	146	77.7 Å²	77.7	68%	0.682	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.7	175.3	-63.2	-174.2	171.7	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.24Å; R243-E246 PolarHBondContact N-O 2.66Å; R243-E246 PolarHBondContact O-N 3.4Å; E246-Q248 PolarHBondContact O-NE2 2.89Å
247	D	93.8	Very high	94.1	Very high	98 Å²	98	73 Å²	73	52%	0.524	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134.5	-179	-69.3	-27.9	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.44Å
248	Q	93.7	Very high	94.1	Very high	25 Å²	25	76.9 Å²	76.9	12%	0.117	40%	0.399	C	S	.	.			trans	-105.8	39.1	-176.8	-57.9	-60.2	-68.1	0	0	112.3	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.19Å; W241-Q248 PolarHBondContact O-N 2.89Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 2.89Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 2.84Å; Q248-D251 PolarHBondContact O-N 3.12Å; Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 2.98Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 2.81Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å
249	T	88	Confident	94.1	Very high	112 Å²	112	78.7 Å²	78.7	69%	0.687	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.4	-169.1	-47.9	0	0	0	0	114
250	Q	88.3	Confident	94.1	Very high	192 Å²	192	80.8 Å²	80.8	90%	0.897	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-31.9	-178.3	-67	-174.6	3.5	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 2.84Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	86.1	Confident	93.9	Very high	111 Å²	111	82.5 Å²	82.5	59%	0.594	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.6	-177.5	-56.8	-52	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.12Å
252	T	94	Very high	93.7	Very high	23 Å²	23	87.7 Å²	87.7	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.5	179.5	-64.3	0	0	0	0	110.9	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 2.98Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 2.81Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 3.35Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.49Å
253	E	95.9	Very high	93.4	Very high	111 Å²	111	87.7 Å²	87.7	52%	0.519	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	106.5	162.6	-173.3	-173.9	-170.9	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.29Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.39Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.84Å; E253-A270 PolarHBondContact O-N 3.31Å
254	L	95.9	Very high	93.4	Very high	89 Å²	89	85.1 Å²	85.1	47%	0.466	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.5	178.5	-175	68.2	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.14Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 3.35Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96	Very high	93.6	Very high	32 Å²	32	81.5 Å²	81.5	19%	0.194	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-84.1	154.1	174.4	-64.9	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.38Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 3.14Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.12Å; V255-W268 HydrophobicContact CG2-CD2 3.77Å; V255-W268 HydrophobicContact CG2-CE3 4.5Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.32Å; V255-W268 PolarHBondContact N-O 2.85Å
256	E	95.7	Very high	94.1	Very high	171 Å²	171	81.2 Å²	81.2	80%	0.799	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-58	149.4	167.1	-67.2	-176.2	172.3	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 2.98Å
257	T	97.1	Very high	94.3	Very high	44 Å²	44	75.3 Å²	75.3	27%	0.27	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-69.3	130.5	174.1	-57.2	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.92Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.21Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
258	R	96.4	Very high	94.5	Very high	93 Å²	93	71.8 Å²	71.8	35%	0.351	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.1	-174.6	68	-168.1	-178	-158.8	0	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.98Å; R258-F265 WeakPolarHBondContact O-CA 3.3Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.92Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.01Å
259	P	96.6	Very high	94.7	Very high	94 Å²	94	70.6 Å²	70.6	61%	0.61	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.5	177.8	28.5	-34.4	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CD1 4.5Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260	A	95.9	Very high	95.1	Very high	50 Å²	50	65.3 Å²	65.3	41%	0.413	37%	0.366	S	S	.	.			trans	-88.5	-16.6	173.4	0	0	0	0	0	113	T264	A260-T264 WeakPolarHBondContact CB-O 3.29Å; A260-T264 PolarHBondContact N-O 2.62Å
261	G	92.6	Very high	95.5	Very high	77 Å²	77	56.3 Å²	56.3	79%	0.794	32%	0.324	S	S	*	.	S	Bend	trans	96.4	-6.9	178.9	0	0	0	0	0	114.9
262	D	92.4	Very high	96	Very high	112 Å²	112	54.5 Å²	54.5	60%	0.599	32%	0.316	S	S	*	.	S	Bend	trans	-106.2	13	176.8	61.5	-0.3	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.45Å; D262-T264 PolarHBondContact OD1-N 3.16Å; D262-T264 PolarHBondContact OD1-OG1 3.21Å
263	G	91	Very high	96.1	Very high	41 Å²	41	53.4 Å²	53.4	42%	0.423	31%	0.31	S	S	.	.	S	Bend	trans	86	4.5	-173.8	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.44Å
264	T	96.3	Very high	96.1	Very high	15 Å²	15	50.3 Å²	50.3	9%	0.092	30%	0.299	C	S	.	.			trans	-108.6	172.5	172.2	73.7	0	0	0	0	112.3	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 3.34Å; A260-T264 WeakPolarHBondContact CB-O 3.29Å; A260-T264 PolarHBondContact N-O 2.62Å; D262-T264 WeakPolarHBondContact OD1-CB 3.45Å; D262-T264 PolarHBondContact OD1-N 3.16Å; D262-T264 PolarHBondContact OD1-OG1 3.21Å
265	F	97.8	Very high	95.8	Very high	25 Å²	25	48.7 Å²	48.7	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.4	-177.6	-63.8	-85.5	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.63Å; G231-F265 PolarHBondContact N-O 3.45Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.24Å; F232-F265 PolarHBondContact O-N 3.24Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.7Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.73Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.3Å; P259-F265 HydrophobicContact CB-CD1 4.5Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
266	Q	97.9	Very high	95.5	Very high	45 Å²	45	50.3 Å²	50.3	21%	0.21	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.2	174.6	44.3	167.4	-21.8	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.39Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.92Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.01Å
267	K	98.4	Very high	95.4	Very high	21 Å²	21	44.7 Å²	44.7	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.4	176.6	-161.3	-175.1	-171.7	72.9	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.82Å; A229-K267 PolarHBondContact O-N 3.25Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.62Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; V255-K267 HydrophobicContact CG2-CG 4.38Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 3.14Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.21Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
268	W	97.9	Very high	95.1	Very high	24 Å²	24	43.5 Å²	43.5	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.8	169.3	59.1	-97.4	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.26Å; C227-W268 CarbonylContact O-C 3.49Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.36Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.42Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.27Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.29Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.12Å; V255-W268 HydrophobicContact CG2-CD2 3.77Å; V255-W268 HydrophobicContact CG2-CE3 4.5Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.32Å; V255-W268 PolarHBondContact N-O 2.85Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	97.8	Very high	94.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.5	174.1	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.47Å; C227-A269 PolarHBondContact N-O 3.06Å; C227-A269 PolarHBondContact O-N 3.18Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; W241-A269 VanDerWaalsContact NE1-C 3.33Å; W241-A269 PolarHBondContact NE1-O 3.48Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.39Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	97.2	Very high	94.8	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.1	-180	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.35Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.49Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.84Å; E253-A270 PolarHBondContact O-N 3.31Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	97.1	Very high	94.8	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.4	175.7	62.2	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.29Å; L225-V271 HydrophobicContact CB-CG1 4.3Å; L225-V271 PolarHBondContact N-O 3.3Å; L225-V271 PolarHBondContact O-N 2.86Å; W241-V271 HydrophobicContact CD2-CB 4.42Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 3.92Å; W241-V271 HydrophobicContact CG-CB 4.24Å; W241-V271 HydrophobicContact CG-CG1 3.92Å; W241-V271 HydrophobicContact CH2-CG1 4.34Å; W241-V271 HydrophobicContact CZ2-CG1 4.11Å; W241-V271 HydrophobicContact CZ3-CG1 4.29Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.39Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å
272	V	96.7	Very high	95	Very high	72 Å²	72	38.5 Å²	38.5	44%	0.436	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.9	171.1	-179.1	0	0	0	0	108	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 3.95Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.35Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å
273	V	95.6	Very high	95.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.3	-176.1	-53.4	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.3Å; A223-V273 PolarHBondContact N-O 3.25Å; A223-V273 WeakPolarHBondContact O-CG2 3.42Å; A223-V273 PolarHBondContact O-N 3.4Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 3.96Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.39Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.55Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.51Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å
274	P	95.2	Very high	95.5	Very high	46 Å²	46	32.9 Å²	32.9	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.7	170.3	-20.1	32.2	0	0	0	111.3	H221 G276 E277	H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.46Å; P274-G276 PolarHBondContact O-N 3.21Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.4Å; P274-E277 PolarHBondContact O-N 3.14Å
275	S	90.6	Very high	95.5	Very high	55 Å²	55	32.1 Å²	32.1	39%	0.385	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	127.3	175.1	-64.1	0	0	0	0	110.9	D220 H221 E222 E277 E278	D220-S275 PolarHBondContact O-OG 2.93Å; H221-S275 PolarHBondContact O-N 3.33Å; H221-S275 PolarHBondContact O-OG 3.33Å; E222-S275 PolarHBondContact N-OG 3.01Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.32Å
276	G	88.8	Confident	95.4	Very high	65 Å²	65	34 Å²	34	67%	0.67	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-6.8	-178.5	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.21Å; G276-E278 WeakPolarHBondContact CA-OE2 3.36Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.16Å; G276-E278 PolarHBondContact N-OE2 3.33Å
277	E	93.3	Very high	95.3	Very high	54 Å²	54	32.4 Å²	32.4	25%	0.252	18%	0.179	S	C	.	.			trans	-100.1	3.7	175.4	-66.2	-160.1	-157.3	0	0	113.6	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.69Å; R243-E277 IonicContact NE-OE2 3.14Å; R243-E277 IonicContact NH2-OE1 3.52Å; R243-E277 IonicContact NH2-OE2 3.24Å; R243-E277 PolarHBondContact NH2-OE2 2.84Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.4Å; P274-E277 PolarHBondContact O-N 3.14Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 2.85Å; E277-Q279 VanDerWaalsContact O-N 3.07Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 3.14Å; E277-R280 IonicContact OE1-NH1 2.63Å; E277-R280 IonicContact OE2-CZ 2.76Å; E277-R280 IonicContact OE2-NE 3.53Å; E277-R280 IonicContact OE2-NH1 3.09Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278	E	92.6	Very high	95	Very high	18 Å²	18	34.9 Å²	34.9	8%	0.084	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.2	-172.3	-58.5	82.4	-178.9	0	0	112.6	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.02Å; L225-E278 HydrophobicContact CD1-CG 4.38Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.32Å; G276-E278 WeakPolarHBondContact CA-OE2 3.36Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.16Å; G276-E278 PolarHBondContact N-OE2 3.33Å; E278-R280 PolarHBondContact O-N 3.46Å; E278-Y281 PolarHBondContact O-N 2.89Å; E278-Y281 VanDerWaalsContact O-N 3.16Å; E278-W298 HydrophobicContact CB-CB 4.5Å; E278-W298 HydrophobicContact CB-CD2 4.15Å; E278-W298 HydrophobicContact CB-CE3 3.3Å; E278-W298 HydrophobicContact CB-CZ3 3.74Å; E278-W298 HydrophobicContact CG-CD2 4.45Å; E278-W298 HydrophobicContact CG-CE3 3.69Å; E278-W298 HydrophobicContact CG-CZ3 3.71Å
279	Q	91.6	Very high	94.7	Very high	93 Å²	93	34.7 Å²	34.7	44%	0.435	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-68.9	-18.8	179.6	-64	-57.7	-43.3	0	0	114.1	E277 W298	E277-Q279 PolarHBondContact O-N 2.85Å; E277-Q279 VanDerWaalsContact O-N 3.07Å; Q279-W298 PolarHBondContact NE2-O 3.22Å
280	R	94.5	Very high	94.5	Very high	99 Å²	99	35.9 Å²	35.9	37%	0.374	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-76.6	-17	175.2	-62.5	174.1	67.2	-179.3	5.6	111.9	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.34Å; D244-R280 PolarHBondContact N-O 3.43Å; D244-R280 IonicContact OD1-NE 3.95Å; D244-R280 IonicContact OD2-CZ 2.87Å; D244-R280 IonicContact OD2-NE 3.75Å; D244-R280 PolarHBondContact OD2-NE 3.38Å; D244-R280 IonicContact OD2-NH2 3.69Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 3.14Å; E277-R280 IonicContact OE1-NH1 2.63Å; E277-R280 IonicContact OE2-CZ 2.76Å; E277-R280 IonicContact OE2-NE 3.53Å; E277-R280 IonicContact OE2-NH1 3.09Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E278-R280 PolarHBondContact O-N 3.46Å
281	Y	95.5	Very high	94.2	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.7	-177.8	-66.4	-98.3	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.27Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 WeakPolarHBondContact CD-OH 3.32Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.17Å; R243-Y281 PolarHBondContact NE-OH 3.47Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.55Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.51Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E278-Y281 PolarHBondContact O-N 2.89Å; E278-Y281 VanDerWaalsContact O-N 3.16Å
282	T	96.6	Very high	94	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.2	174.7	45.7	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.38Å; W241-T282 VanDerWaalsContact CE3-C 3.45Å; W241-T282 VanDerWaalsContact CE3-O 3.31Å; Q242-T282 PolarHBondContact N-O 2.93Å; Q242-T282 PolarHBondContact O-N 3.45Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; T282-T295 HydrophobicContact CG2-CG2 3.85Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; T282-R297 HydrophobicContact CG2-CG 3.46Å; T282-R297 VanDerWaalsContact CG2-CG 3.46Å
283	C	96.9	Very high	93.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.7	168.4	173.6	0	0	0	0	109.4	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.05Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.11Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.46Å; W241-C283 HydrophobicContact CD2-CB 4.21Å; W241-C283 HydrophobicContact CE3-CB 4.13Å; W241-C283 HydrophobicContact CH2-CB 4.07Å; W241-C283 HydrophobicContact CZ2-CB 4.11Å; W241-C283 HydrophobicContact CZ3-CB 4.06Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.26Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 2.88Å; C283-L296 PolarHBondContact O-N 3.04Å
284	H	96.6	Very high	93.9	Very high	34 Å²	34	53 Å²	53	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.3	177	-64.7	-109.2	0	0	0	109.4	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.46Å; T240-H284 PolarHBondContact N-O 2.98Å; T240-H284 PolarHBondContact O-N 3.41Å; Q242-H284 PolarHBondContact OE1-CE1 2.91Å; Q242-H284 PolarHBondContact OE1-NE2 3.5Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.5Å; H284-T295 PolarHBondContact CE1-OG1 3.31Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å
285	V	97.1	Very high	93.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.7	-178.8	-174.6	0	0	0	0	109	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.2Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.5Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; V285-P293 WeakPolarHBondContact O-CA 3.32Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.83Å; V285-L294 PolarHBondContact O-N 3.03Å; V285-L296 HydrophobicContact CG2-CD1 3.87Å
286	Q	96.6	Very high	94	Very high	64 Å²	64	53.7 Å²	53.7	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.3	173.5	-53.2	-177.9	14.2	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.29Å; T238-Q286 PolarHBondContact N-O 3.03Å; T238-Q286 PolarHBondContact O-N 2.95Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	95.1	Very high	94.2	Very high	11 Å²	11	57.9 Å²	57.9	5%	0.051	29%	0.29	C	S	.	.			trans	-155.5	147.1	-179.8	-173.8	-99	0	0	0	108.6	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.94Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.04Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.49Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 3.38Å; E236-H287 PolarHBondContact O-CD2 2.87Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 PolarHBondContact ND1-N 3.04Å; H287-G289 PolarHBondContact O-N 2.83Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.2Å
288	E	91.4	Very high	93.9	Very high	74 Å²	74	57.4 Å²	57.4	35%	0.346	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.2	-179.4	-175.1	176.9	176.9	0	0	112.7	A24 G25 T206 L290	A24-E288 WeakPolarHBondContact CA-OE1 3.4Å; G25-E288 PolarHBondContact N-OE1 2.89Å; T206-E288 HydrophobicContact CG2-CB 3.96Å; T206-E288 HydrophobicContact CG2-CG 4.02Å; E288-L290 PolarHBondContact O-N 2.91Å
289	G	91.7	Very high	93.2	Very high	19 Å²	19	63.8 Å²	63.8	20%	0.196	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.4	179.6	0	0	0	0	0	113.7	H287	H287-G289 PolarHBondContact ND1-N 3.04Å; H287-G289 PolarHBondContact O-N 2.83Å
290	L	93.8	Very high	91.9	Very high	25 Å²	25	65.5 Å²	65.5	13%	0.131	33%	0.328	C	S	.	.			trans	-94.2	125.3	179	-65.6	171.2	0	0	0	110.2	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.48Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.19Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.2Å; E288-L290 PolarHBondContact O-N 2.91Å; L290-K292 WeakPolarHBondContact CB-O 3.19Å; L290-K292 PolarHBondContact O-N 2.89Å; L290-L294 HydrophobicContact CD1-CB 4.49Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.44Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	91.9	Very high	89.8	Confident	133 Å²	133	65.3 Å²	65.3	86%	0.864	34%	0.341	S	S	*	.	S	Bend	trans	-64.7	-24.4	177.4	27	-34.8	0	0	0	112.5
292	K	92.4	Very high	87.3	Confident	162 Å²	162	69.1 Å²	69.1	70%	0.704	37%	0.369	S	S	*	.	S	Bend	trans	-146.6	149.2	172.7	-63.5	-176	-177.5	177.7	0	108.9	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.19Å; L290-K292 PolarHBondContact O-N 2.89Å; K292-L294 PolarHBondContact O-N 3.32Å
293	P	94.4	Very high	84.6	Confident	83 Å²	83	76.9 Å²	76.9	54%	0.539	40%	0.404	S	S	.	.			trans	-50.7	138.8	171.5	-28.3	36.4	0	0	0	112	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.32Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	94.6	Very high	81.8	Confident	61 Å²	61	82.3 Å²	82.3	32%	0.319	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.4	174.3	-65	176.6	0	0	0	109.9	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.2Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.5Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.83Å; V285-L294 PolarHBondContact O-N 3.03Å; L290-L294 HydrophobicContact CD1-CB 4.49Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.44Å; L290-L294 HydrophobicContact CG-CG 4.47Å; K292-L294 PolarHBondContact O-N 3.32Å
295	T	95.4	Very high	79.5	Confident	81 Å²	81	86.6 Å²	86.6	50%	0.497	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.3	170.1	-59.6	0	0	0	0	108.3	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.85Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.26Å; H284-T295 PolarHBondContact CE1-OG1 3.31Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å
296	L	93.9	Very high	77.6	Confident	34 Å²	34	91.9 Å²	91.9	18%	0.178	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.2	-178.9	-62.5	148.1	0	0	0	108.7	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.06Å; M213-L296 HydrophobicContact CG-CB 4.31Å; M213-L296 HydrophobicContact SD-CB 3.81Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 2.88Å; C283-L296 PolarHBondContact O-N 3.04Å; V285-L296 HydrophobicContact CG2-CD1 3.87Å
297	R	92.1	Very high	75.8	Confident	153 Å²	153	93.2 Å²	93.2	58%	0.577	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.7	166.5	-73.4	-176.7	177.9	163.6	-0.6	108.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.46Å; T282-R297 VanDerWaalsContact CG2-CG 3.46Å; R297-E299 PolarHBondContact O-N 3.07Å
298	W	88.2	Confident	74.3	Confident	43 Å²	43	97.9 Å²	97.9	16%	0.163	53%	0.534	C	S	.	.			trans	-65.6	107	170.1	-179.4	55.3	0	0	0	108.2	M213 H215 L225 E278 Q279 L300	M213-W298 VanDerWaalsContact CE-CA 3.49Å; M213-W298 HydrophobicContact CE-CB 3.52Å; M213-W298 HydrophobicContact CE-CG 4.41Å; M213-W298 VanDerWaalsContact CE-N 3.33Å; M213-W298 PolarHBondContact SD-N 3.1Å; M213-W298 VanDerWaalsContact SD-N 3.45Å; H215-W298 HydrophobicContact CB-CZ2 4.16Å; H215-W298 AromaticContact CG-CE2 3.92Å; H215-W298 AromaticContact CG-CZ2 3.83Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.97Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.86Å; E278-W298 HydrophobicContact CB-CB 4.5Å; E278-W298 HydrophobicContact CB-CD2 4.15Å; E278-W298 HydrophobicContact CB-CE3 3.3Å; E278-W298 HydrophobicContact CB-CZ3 3.74Å; E278-W298 HydrophobicContact CG-CD2 4.45Å; E278-W298 HydrophobicContact CG-CE3 3.69Å; E278-W298 HydrophobicContact CG-CZ3 3.71Å; Q279-W298 PolarHBondContact NE2-O 3.22Å; W298-L300 HydrophobicContact CE3-CD1 3.78Å; W298-L300 HydrophobicContact CH2-CD1 3.59Å; W298-L300 HydrophobicContact CH2-CD2 4.49Å; W298-L300 HydrophobicContact CH2-CG 3.68Å; W298-L300 HydrophobicContact CZ2-CD1 4.35Å; W298-L300 HydrophobicContact CZ2-CG 4.12Å; W298-L300 HydrophobicContact CZ3-CD1 3.25Å; W298-L300 HydrophobicContact CZ3-CG 3.91Å
299	E	77.8	Confident	73	Confident	153 Å²	153	100 Å²	100	72%	0.715	55%	0.552	S	S	*	*			trans	-78.8	127.9	166.6	-69	-177.3	172.3	0	0	107.6	R297 S301	R297-E299 PolarHBondContact O-N 3.07Å; E299-S301 PolarHBondContact O-N 3.32Å
300	L	62.6	Low	71.9	Confident	129 Å²	129	101.3 Å²	101.3	68%	0.675	57%	0.565	S	S	*	*			trans	-63.6	77.1	156.4	-90.9	94.2	0	0	0	106.8	W298 S302	W298-L300 HydrophobicContact CE3-CD1 3.78Å; W298-L300 HydrophobicContact CH2-CD1 3.59Å; W298-L300 HydrophobicContact CH2-CD2 4.49Å; W298-L300 HydrophobicContact CH2-CG 3.68Å; W298-L300 HydrophobicContact CZ2-CD1 4.35Å; W298-L300 HydrophobicContact CZ2-CG 4.12Å; W298-L300 HydrophobicContact CZ3-CD1 3.25Å; W298-L300 HydrophobicContact CZ3-CG 3.91Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.14Å
301	S	51.8	Low	71.1	Confident	94 Å²	94	104.4 Å²	104.4	66%	0.657	58%	0.581	S	S	*	*			trans	-67.6	98	175.3	-173.7	0	0	0	0	107.4	E299 Q303	E299-S301 PolarHBondContact O-N 3.32Å; S301-Q303 PolarHBondContact O-N 3.45Å
302	S	43.3	Very low	70.3	Confident	88 Å²	88	102.7 Å²	102.7	62%	0.615	56%	0.563	S	S	*	*			trans	22.9	96.2	154.5	55.5	0	0	0	0	114.6	L300	L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.14Å
303	Q	39	Very low	69.6	Low	173 Å²	173	97.3 Å²	97.3	81%	0.808	55%	0.549	S	S	*	.			trans	-46.9	131.8	138.8	-77.8	-176.6	-17.2	0	0	106.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.45Å; Q303-T305 VanDerWaalsContact C-N 3.29Å; Q303-T305 PolarHBondContact O-N 3.4Å
304	P	38.6	Very low	69	Low	114 Å²	114	94.9 Å²	94.9	74%	0.74	54%	0.539	S	S	*	.			trans	-56.1	108.2	167.3	23.1	-28.2	0	0	0	104.6	I306	P304-I306 PolarHBondContact O-N 2.85Å
305	T	48.7	Very low	68.6	Low	124 Å²	124	97.4 Å²	97.4	76%	0.761	55%	0.552	S	S	*	*			trans	-61.5	97.3	168	-14.9	0	0	0	0	102.5	Q303	Q303-T305 VanDerWaalsContact C-N 3.29Å; Q303-T305 PolarHBondContact O-N 3.4Å
306	I	57.1	Low	68.1	Low	112 Å²	112	98.2 Å²	98.2	57%	0.574	56%	0.557	S	S	*	*			trans	-42.1	123.8	166.6	-63.4	173.8	0	0	0	103.7	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.85Å; I306-I308 WeakPolarHBondContact O-CG1 3.17Å; I306-I308 PolarHBondContact O-N 2.87Å; I306-I311 HydrophobicContact CG2-CD1 3.51Å
307	P	58.7	Low	67.6	Low	92 Å²	92	102.2 Å²	102.2	60%	0.597	58%	0.578	S	S	*	*			trans	-69.3	87.4	-171.6	26.8	-32.6	0	0	0	107.2	V309 G310 I311	P307-V309 PolarHBondContact O-N 3.36Å; P307-V309 VanDerWaalsContact O-N 3.1Å; P307-G310 WeakPolarHBondContact O-CA 3.45Å; P307-G310 PolarHBondContact O-N 3.11Å; P307-I311 PolarHBondContact O-N 3.2Å
308	I	62.7	Low	67.2	Low	109 Å²	109	100 Å²	100	56%	0.559	58%	0.577	S	S	*	*	H	α-helix	trans	-54.8	-33.5	-179.5	-70.8	165.2	0	0	0	108.5	I306 G310 I311 I312	I306-I308 WeakPolarHBondContact O-CG1 3.17Å; I306-I308 PolarHBondContact O-N 2.87Å; I308-G310 PolarHBondContact O-N 2.86Å; I308-I311 PolarHBondContact O-N 3.09Å; I308-I312 HydrophobicContact CG2-CD1 3.62Å; I308-I312 HydrophobicContact CG2-CG1 4.26Å; I308-I312 WeakPolarHBondContact O-CB 3.33Å; I308-I312 VanDerWaalsContact O-CG1 3.23Å; I308-I312 WeakPolarHBondContact O-CG1 3.49Å; I308-I312 PolarHBondContact O-N 2.65Å
309	V	64.5	Low	67	Low	119 Å²	119	99.7 Å²	99.7	72%	0.721	59%	0.587	S	S	*	*	H	α-helix	trans	-61.3	-41.1	173.9	-175.6	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.36Å; P307-V309 VanDerWaalsContact O-N 3.1Å; V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.26Å
310	G	69.7	Low	67.2	Low	45 Å²	45	95 Å²	95	46%	0.464	58%	0.575	S	S	.	*	H	α-helix	trans	-69.5	-37.3	178.1	0	0	0	0	0	112.7	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.45Å; P307-G310 PolarHBondContact O-N 3.11Å; I308-G310 PolarHBondContact O-N 2.86Å; G310-G314 PolarHBondContact O-N 3.42Å
311	I	75.1	Confident	68.2	Low	90 Å²	90	93.8 Å²	93.8	46%	0.462	57%	0.572	S	S	.	*	H	α-helix	trans	-68.6	-44.5	175.6	-63	176.7	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.51Å; P307-I311 PolarHBondContact O-N 3.2Å; I308-I311 PolarHBondContact O-N 3.09Å; I311-G314 PolarHBondContact O-N 3.25Å; I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.1Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.83Å
312	I	76.3	Confident	69.6	Low	97 Å²	97	94.1 Å²	94.1	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-46.5	177.4	-68	169.4	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.62Å; I308-I312 HydrophobicContact CG2-CG1 4.26Å; I308-I312 WeakPolarHBondContact O-CB 3.33Å; I308-I312 VanDerWaalsContact O-CG1 3.23Å; I308-I312 WeakPolarHBondContact O-CG1 3.49Å; I308-I312 PolarHBondContact O-N 2.65Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.24Å; I312-L315 PolarHBondContact O-N 3.3Å; I312-V316 HydrophobicContact CG2-CG2 4.32Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.43Å; I312-V316 PolarHBondContact O-N 3.05Å
313	A	78.1	Confident	71.2	Confident	49 Å²	49	94 Å²	94	41%	0.405	56%	0.561	S	S	.	*	H	α-helix	trans	-60.7	-42.1	177.1	0	0	0	0	0	111.9	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.26Å; A313-V316 PolarHBondContact O-N 3.34Å; A313-L317 WeakPolarHBondContact O-CB 3.39Å; A313-L317 WeakPolarHBondContact O-CG 3.17Å; A313-L317 PolarHBondContact O-N 3.33Å
314	G	81.5	Confident	73.1	Confident	32 Å²	32	87.8 Å²	87.8	33%	0.33	54%	0.543	S	S	.	.	H	α-helix	trans	-61.5	-45.2	175.1	0	0	0	0	0	113	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 3.42Å; I311-G314 PolarHBondContact O-N 3.25Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.24Å; G314-L317 PolarHBondContact O-N 3.13Å; G314-L318 WeakPolarHBondContact O-CB 3.5Å; G314-L318 PolarHBondContact O-N 2.97Å
315	L	86.1	Confident	75.1	Confident	115 Å²	115	85.1 Å²	85.1	60%	0.602	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-39.8	178.2	-74.3	171	0	0	0	112.6	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.1Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.83Å; I312-L315 PolarHBondContact O-N 3.3Å; L315-L318 PolarHBondContact O-N 3.21Å; L315-G319 PolarHBondContact O-N 3.17Å
316	V	84.8	Confident	76.6	Confident	98 Å²	98	83.2 Å²	83.2	59%	0.594	52%	0.519	S	S	*	.	H	α-helix	trans	-65.2	-43.7	176.8	171	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.32Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.43Å; I312-V316 PolarHBondContact O-N 3.05Å; A313-V316 PolarHBondContact O-N 3.34Å; V316-G319 PolarHBondContact O-N 2.96Å; V316-A320 WeakPolarHBondContact O-CB 3.28Å; V316-A320 PolarHBondContact O-N 3Å
317	L	83.4	Confident	77.6	Confident	118 Å²	118	81.9 Å²	81.9	62%	0.618	52%	0.516	S	S	*	.	H	α-helix	trans	-62.9	-43.9	176.2	-77.2	168	0	0	0	111.8	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.39Å; A313-L317 WeakPolarHBondContact O-CG 3.17Å; A313-L317 PolarHBondContact O-N 3.33Å; G314-L317 PolarHBondContact O-N 3.13Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 2.93Å; L317-A320 PolarHBondContact O-N 3.44Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 2.98Å
318	L	83.8	Confident	78.3	Confident	107 Å²	107	80.3 Å²	80.3	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-60.8	-44.1	175.1	-112.2	141.4	0	0	0	111.7	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.5Å; G314-L318 PolarHBondContact O-N 2.97Å; L315-L318 PolarHBondContact O-N 3.21Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 2.84Å; L318-V321 PolarHBondContact O-N 2.98Å; L318-I322 HydrophobicContact CD2-CD1 4.08Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.47Å; L318-I322 PolarHBondContact O-N 3.38Å
319	G	83	Confident	78.9	Confident	36 Å²	36	77.8 Å²	77.8	37%	0.371	51%	0.506	S	S	.	.	H	α-helix	trans	-59.2	-43.7	175.5	0	0	0	0	0	112.7	L315 V316 L317 I322 T323	L315-G319 PolarHBondContact O-N 3.17Å; V316-G319 PolarHBondContact O-N 2.96Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 2.93Å; G319-I322 PolarHBondContact O-N 2.9Å; G319-T323 PolarHBondContact O-N 2.71Å; G319-T323 PolarHBondContact O-OG1 3.04Å
320	A	81.6	Confident	79.3	Confident	55 Å²	55	76.1 Å²	76.1	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-66.2	-40.3	177.8	0	0	0	0	0	112.8	V316 L317 L318 T323 G324	V316-A320 WeakPolarHBondContact O-CB 3.28Å; V316-A320 PolarHBondContact O-N 3Å; L317-A320 PolarHBondContact O-N 3.44Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 2.84Å; A320-T323 WeakPolarHBondContact CA-OG1 3.48Å; A320-T323 PolarHBondContact O-OG1 3.26Å; A320-T323 VanDerWaalsContact O-OG1 3.14Å; A320-G324 PolarHBondContact O-N 3.08Å
321	V	84.3	Confident	79.5	Confident	102 Å²	102	80.1 Å²	80.1	62%	0.618	50%	0.504	S	S	*	.	H	α-helix	trans	-66.2	-43.8	177	171.6	0	0	0	0	111	L317 L318 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 2.98Å; L318-V321 PolarHBondContact O-N 2.98Å; V321-G324 PolarHBondContact O-N 3.34Å; V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 2.67Å
322	I	81.9	Confident	79.3	Confident	101 Å²	101	85.4 Å²	85.4	52%	0.518	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-46.5	178.8	-67.5	167.8	0	0	0	110.4	L318 G319 G324 A325 V326	L318-I322 HydrophobicContact CD2-CD1 4.08Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.47Å; L318-I322 PolarHBondContact O-N 3.38Å; G319-I322 PolarHBondContact O-N 2.9Å; I322-G324 PolarHBondContact O-N 3.14Å; I322-A325 PolarHBondContact O-N 3.43Å; I322-V326 HydrophobicContact CG2-CG2 4.48Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.3Å; I322-V326 PolarHBondContact O-N 2.88Å
323	T	77.4	Confident	78.8	Confident	87 Å²	87	90.5 Å²	90.5	53%	0.534	53%	0.531	S	S	.	.	H	α-helix	trans	-63.2	-42.3	176.7	34.2	0	0	0	0	112	G319 A320 A325 V326 V327	G319-T323 PolarHBondContact O-N 2.71Å; G319-T323 PolarHBondContact O-OG1 3.04Å; A320-T323 WeakPolarHBondContact CA-OG1 3.48Å; A320-T323 PolarHBondContact O-OG1 3.26Å; A320-T323 VanDerWaalsContact O-OG1 3.14Å; T323-A325 PolarHBondContact O-N 2.9Å; T323-V326 PolarHBondContact O-N 3.15Å; T323-V327 VanDerWaalsContact O-CG2 3.29Å; T323-V327 WeakPolarHBondContact O-CG2 3.38Å; T323-V327 PolarHBondContact O-N 3.43Å
324	G	78.3	Confident	78	Confident	41 Å²	41	98.4 Å²	98.4	42%	0.423	55%	0.55	S	S	.	*	H	α-helix	trans	-59.6	-44.7	174.2	0	0	0	0	0	113.1	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.08Å; V321-G324 PolarHBondContact O-N 3.34Å; I322-G324 PolarHBondContact O-N 3.14Å; G324-V327 PolarHBondContact O-N 2.88Å; G324-A328 WeakPolarHBondContact O-CB 3.36Å; G324-A328 PolarHBondContact O-N 3.13Å
325	A	79.3	Confident	76.9	Confident	59 Å²	59	105.8 Å²	105.8	49%	0.488	57%	0.573	S	S	.	*	H	α-helix	trans	-64.9	-40.7	177.7	0	0	0	0	0	112.4	V321 I322 T323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 2.67Å; I322-A325 PolarHBondContact O-N 3.43Å; T323-A325 PolarHBondContact O-N 2.9Å; A325-A328 PolarHBondContact O-N 2.88Å; A325-A329 VanDerWaalsContact O-CB 3.3Å; A325-A329 WeakPolarHBondContact O-CB 3.37Å; A325-A329 PolarHBondContact O-N 3.4Å
326	V	80.4	Confident	75.4	Confident	84 Å²	84	104.6 Å²	104.6	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-64.6	-45.2	175.9	172.1	0	0	0	0	110.8	I322 T323 A328 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.48Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.3Å; I322-V326 PolarHBondContact O-N 2.88Å; T323-V326 PolarHBondContact O-N 3.15Å; V326-A328 PolarHBondContact O-N 2.98Å; V326-A329 PolarHBondContact O-N 3Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 2.85Å; V326-V330 PolarHBondContact O-N 3.28Å
327	V	78.4	Confident	73.8	Confident	84 Å²	84	107.5 Å²	107.5	51%	0.509	60%	0.599	S	S	.	*	H	α-helix	trans	-62.2	-45	177.3	172.1	0	0	0	0	110.8	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.29Å; T323-V327 WeakPolarHBondContact O-CG2 3.38Å; T323-V327 PolarHBondContact O-N 3.43Å; G324-V327 PolarHBondContact O-N 2.88Å; V327-A329 PolarHBondContact O-N 2.71Å; V327-V330 PolarHBondContact O-N 3.19Å; V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.08Å; V327-M331 WeakPolarHBondContact O-CB 3.45Å; V327-M331 WeakPolarHBondContact O-CG 3.13Å; V327-M331 PolarHBondContact O-N 2.74Å
328	A	74.8	Confident	73.3	Confident	59 Å²	59	107 Å²	107	49%	0.488	60%	0.598	S	S	.	*	H	α-helix	trans	-61.7	-43.3	176.6	0	0	0	0	0	112.2	G324 A325 V326 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.36Å; G324-A328 PolarHBondContact O-N 3.13Å; A325-A328 PolarHBondContact O-N 2.88Å; V326-A328 PolarHBondContact O-N 2.98Å; A328-M331 PolarHBondContact O-N 2.74Å; A328-W332 WeakPolarHBondContact O-CB 3.39Å; A328-W332 PolarHBondContact O-N 2.66Å
329	A	74.3	Confident	72.8	Confident	55 Å²	55	106.9 Å²	106.9	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-64.9	-40.2	176.9	0	0	0	0	0	112.5	A325 V326 V327 W332 R333	A325-A329 VanDerWaalsContact O-CB 3.3Å; A325-A329 WeakPolarHBondContact O-CB 3.37Å; A325-A329 PolarHBondContact O-N 3.4Å; V326-A329 PolarHBondContact O-N 3Å; V327-A329 PolarHBondContact O-N 2.71Å; A329-W332 PolarHBondContact O-N 3.06Å; A329-R333 PolarHBondContact O-N 3.44Å
330	V	73.4	Confident	72.2	Confident	84 Å²	84	110.9 Å²	110.9	51%	0.509	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-43.6	175.7	170.1	0	0	0	0	111.1	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 2.85Å; V326-V330 PolarHBondContact O-N 3.28Å; V327-V330 PolarHBondContact O-N 3.19Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 2.67Å; V330-R333 PolarHBondContact O-N 3.24Å; V330-R334 PolarHBondContact O-N 2.85Å
331	M	72.9	Confident	71.6	Confident	129 Å²	129	114.2 Å²	114.2	64%	0.635	62%	0.622	S	S	*	*	H	α-helix	trans	-63.2	-39.6	175.6	-74.8	-176.5	67.7	0	0	111.9	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.08Å; V327-M331 WeakPolarHBondContact O-CB 3.45Å; V327-M331 WeakPolarHBondContact O-CG 3.13Å; V327-M331 PolarHBondContact O-N 2.74Å; A328-M331 PolarHBondContact O-N 2.74Å; M331-R334 PolarHBondContact O-N 3.32Å; M331-K335 PolarHBondContact O-N 2.84Å
332	W	70.6	Confident	70.8	Confident	201 Å²	201	114.9 Å²	114.9	76%	0.761	62%	0.623	S	S	*	*	H	α-helix	trans	-65.9	-44.3	176.7	-164.6	10.7	0	0	0	111.4	A328 A329 V330 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.39Å; A328-W332 PolarHBondContact O-N 2.66Å; A329-W332 PolarHBondContact O-N 3.06Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 2.67Å; W332-R334 VanDerWaalsContact C-N 3.3Å; W332-R334 PolarHBondContact O-N 3.01Å; W332-K335 PolarHBondContact O-N 3.2Å; W332-K335 VanDerWaalsContact O-N 3.07Å; W332-S336 PolarHBondContact O-N 3.17Å; W332-S336 VanDerWaalsContact O-N 3.14Å; W332-S336 PolarHBondContact O-OG 3.07Å; W332-S336 VanDerWaalsContact O-OG 3.11Å
333	R	66.6	Low	70.1	Confident	205 Å²	205	115.9 Å²	115.9	77%	0.774	63%	0.63	S	S	*	*	H	α-helix	trans	-59.3	-36.8	173.1	-98.7	-173.6	174.4	178.1	-0.6	113.5	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 3.44Å; V330-R333 PolarHBondContact O-N 3.24Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 3.26Å; R333-S336 WeakPolarHBondContact CA-OG 3.03Å; R333-S336 PolarHBondContact O-OG 2.94Å
334	R	62.2	Low	69.6	Low	214 Å²	214	117.9 Å²	117.9	81%	0.808	64%	0.637	S	S	*	*	H	α-helix	trans	-71.1	-20.7	176.2	-107.2	-173.2	174.1	-176.2	-0.8	113.9	V330 M331 W332	V330-R334 PolarHBondContact O-N 2.85Å; M331-R334 PolarHBondContact O-N 3.32Å; W332-R334 VanDerWaalsContact C-N 3.3Å; W332-R334 PolarHBondContact O-N 3.01Å
335	K	57.2	Low	68.9	Low	187 Å²	187	123.8 Å²	123.8	81%	0.813	65%	0.653	S	S	*	*	H	α-helix	trans	-96.1	-14	-179.6	-147.2	179.2	-174.4	-176.1	0	112.7	M331 W332 R333	M331-K335 PolarHBondContact O-N 2.84Å; W332-K335 PolarHBondContact O-N 3.2Å; W332-K335 VanDerWaalsContact O-N 3.07Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 3.26Å
336	S	55.8	Low	68.1	Low	90 Å²	90	129.3 Å²	129.3	63%	0.629	67%	0.667	S	S	*	*			trans	-104.4	9.3	178.6	61.2	0	0	0	0	113.8	W332 R333	W332-S336 PolarHBondContact O-N 3.17Å; W332-S336 VanDerWaalsContact O-N 3.14Å; W332-S336 PolarHBondContact O-OG 3.07Å; W332-S336 VanDerWaalsContact O-OG 3.11Å; R333-S336 WeakPolarHBondContact CA-OG 3.03Å; R333-S336 PolarHBondContact O-OG 2.94Å
337	S	50.1	Low	66.9	Low	159 Å²	159	133.4 Å²	133.4	100%	1.112	68%	0.681	S	S	*	*			trans	-119.1	0	168.9	-170.6	0	0	0	0	108.6

Retrieved 337 of 337 residues in 1485.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).