A0A090KEZ4_HUMAN Loading...

HLA class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A090KEZ4, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 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	35	Very low	43.9	Very low	242 Å²	242	143.5 Å²	143.5	100%	1.192	72%	0.719	S	S	*	*				0	138	0	-65.2	133.1	89.9	0	0	108.3
2	R	34.5	Very low	44.1	Very low	252 Å²	252	142.1 Å²	142.1	95%	0.951	71%	0.714	S	S	*	*			trans	-83.8	116	169.5	-92.6	-177.9	169.9	162.6	-3.2	108.3	M4	R2-M4 PolarHBondContact O-N 2.86Å
3	V	38.8	Very low	43.8	Very low	142 Å²	142	139.3 Å²	139.3	86%	0.861	70%	0.702	S	S	*	*			trans	-74.2	104.3	170.3	179.6	0	0	0	0	107.4	A5	V3-A5 PolarHBondContact O-N 3.12Å
4	M	40.9	Very low	43.8	Very low	173 Å²	173	133.9 Å²	133.9	85%	0.852	68%	0.683	S	S	*	*			trans	-84.5	95.7	179.5	-171.3	169.6	68.1	0	0	108.8	R2	R2-M4 PolarHBondContact O-N 2.86Å
5	A	45	Very low	43.7	Very low	57 Å²	57	127.4 Å²	127.4	47%	0.471	66%	0.663	S	S	.	*			trans	-57	138.2	177.2	0	0	0	0	0	110.8	V3 R7	V3-A5 PolarHBondContact O-N 3.12Å; A5-R7 PolarHBondContact O-N 3.14Å
6	P	44.9	Very low	43.4	Very low	74 Å²	74	122.7 Å²	122.7	48%	0.481	65%	0.648	S	S	.	*			trans	-61.6	128.1	-179.9	-22.3	33.3	0	0	0	111.4	T8 L9	P6-T8 PolarHBondContact O-N 3Å; P6-T8 VanDerWaalsContact O-N 3.14Å; P6-L9 HydrophobicContact CB-CB 4.49Å; P6-L9 WeakPolarHBondContact O-CB 3.46Å; P6-L9 PolarHBondContact O-N 3.19Å
7	R	50.9	Low	43	Very low	220 Å²	220	122.1 Å²	122.1	83%	0.83	65%	0.645	S	S	*	*	H	α-helix	trans	-57.2	-28.4	176.9	-81.5	178.4	162.7	150.4	-7	113	A5 I10 L11	A5-R7 PolarHBondContact O-N 3.14Å; R7-I10 PolarHBondContact O-N 3.44Å; R7-L11 PolarHBondContact O-N 2.91Å
8	T	49.3	Very low	42.7	Very low	98 Å²	98	118.6 Å²	118.6	60%	0.601	64%	0.637	S	S	*	*	H	α-helix	trans	-62.8	-36.2	172.7	41.1	0	0	0	0	113.5	P6 I10 L11 L12	P6-T8 PolarHBondContact O-N 3Å; P6-T8 VanDerWaalsContact O-N 3.14Å; T8-I10 VanDerWaalsContact C-N 3.35Å; T8-L11 PolarHBondContact O-N 2.88Å; T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 3.3Å
9	L	44.1	Very low	42.4	Very low	101 Å²	101	117.9 Å²	117.9	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-69.3	-36.3	179.2	-144.2	85	0	0	0	111.5	P6 L13	P6-L9 HydrophobicContact CB-CB 4.49Å; P6-L9 WeakPolarHBondContact O-CB 3.46Å; P6-L9 PolarHBondContact O-N 3.19Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.28Å
10	I	49.2	Very low	42.1	Very low	95 Å²	95	116.7 Å²	116.7	49%	0.487	63%	0.629	S	S	.	*	H	α-helix	trans	-67.4	-44.8	178	-61.5	172.6	0	0	0	110.2	R7 T8 L12 L13 S14	R7-I10 PolarHBondContact O-N 3.44Å; T8-I10 VanDerWaalsContact C-N 3.35Å; I10-L12 PolarHBondContact O-N 2.67Å; I10-L13 PolarHBondContact O-N 3.45Å; I10-S14 PolarHBondContact O-N 2.85Å; I10-S14 PolarHBondContact O-OG 2.8Å; I10-S14 VanDerWaalsContact O-OG 3.09Å
11	L	50.9	Low	41.9	Very low	124 Å²	124	118.8 Å²	118.8	65%	0.649	64%	0.635	S	S	*	*	H	α-helix	trans	-62.5	-38.9	177.9	-74.2	165.3	0	0	0	113	R7 T8 S14 G15	R7-L11 PolarHBondContact O-N 2.91Å; T8-L11 PolarHBondContact O-N 2.88Å; L11-S14 PolarHBondContact O-N 3.25Å; L11-G15 PolarHBondContact O-N 2.79Å
12	L	45.7	Very low	42.3	Very low	127 Å²	127	112.2 Å²	112.2	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-63.8	-40.8	174.6	-73.9	166.9	0	0	0	112	T8 I10 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 3.3Å; I10-L12 PolarHBondContact O-N 2.67Å; L12-G15 PolarHBondContact O-N 2.94Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 2.98Å
13	L	40.4	Very low	43.1	Very low	106 Å²	106	104.4 Å²	104.4	56%	0.555	58%	0.579	S	S	*	*	H	α-helix	trans	-67	-36.7	174.1	-73	164.8	0	0	0	112.3	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.28Å; I10-L13 PolarHBondContact O-N 3.45Å; L13-L17 WeakPolarHBondContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.81Å
14	S	43.8	Very low	43.8	Very low	63 Å²	63	100.1 Å²	100.1	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-63.4	-44.4	173.8	-59.3	0	0	0	0	112.4	I10 L11 L17 A18	I10-S14 PolarHBondContact O-N 2.85Å; I10-S14 PolarHBondContact O-OG 2.8Å; I10-S14 VanDerWaalsContact O-OG 3.09Å; L11-S14 PolarHBondContact O-N 3.25Å; S14-L17 PolarHBondContact O-N 3.38Å; S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.42Å; S14-A18 VanDerWaalsContact O-N 3.07Å
15	G	41.7	Very low	45.4	Very low	37 Å²	37	94.7 Å²	94.7	38%	0.381	54%	0.537	S	S	.	.	H	α-helix	trans	-64.9	-42.1	176.9	0	0	0	0	0	112.7	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.79Å; L12-G15 PolarHBondContact O-N 2.94Å; G15-A18 PolarHBondContact O-N 3.02Å; G15-L19 PolarHBondContact O-N 2.66Å; G15-L19 VanDerWaalsContact O-N 3.09Å
16	A	39.2	Very low	47.6	Very low	52 Å²	52	95.5 Å²	95.5	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176.2	0	0	0	0	0	112.4	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 2.98Å; A16-L19 PolarHBondContact O-N 3.36Å; A16-T20 PolarHBondContact O-N 3.47Å; A16-T20 VanDerWaalsContact O-N 3.14Å; A16-T20 PolarHBondContact O-OG1 2.96Å
17	L	36.5	Very low	50	Low	112 Å²	112	93.7 Å²	93.7	59%	0.586	52%	0.524	S	S	*	.	H	α-helix	trans	-63.9	-44.4	178	-75.9	165.9	0	0	0	112.1	L13 S14 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.81Å; S14-L17 PolarHBondContact O-N 3.38Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 2.76Å; L17-T20 WeakPolarHBondContact CA-OG1 3.17Å; L17-T20 PolarHBondContact O-N 3.16Å; L17-T20 PolarHBondContact O-OG1 2.91Å; L17-E21 PolarHBondContact O-N 2.71Å; L17-E21 VanDerWaalsContact O-N 3.17Å
18	A	37.7	Very low	52.2	Low	60 Å²	60	84.3 Å²	84.3	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-32.1	176.6	0	0	0	0	0	113.1	S14 G15	S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.42Å; S14-A18 VanDerWaalsContact O-N 3.07Å; G15-A18 PolarHBondContact O-N 3.02Å
19	L	37.1	Very low	54.6	Low	106 Å²	106	79.6 Å²	79.6	56%	0.555	46%	0.464	S	S	*	.	H	α-helix	trans	-74.7	-21.6	173	-84	162.5	0	0	0	113.6	G15 A16 L17 T22	G15-L19 PolarHBondContact O-N 2.66Å; G15-L19 VanDerWaalsContact O-N 3.09Å; A16-L19 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 2.76Å; L19-T22 PolarHBondContact O-OG1 3.38Å
20	T	37.3	Very low	57.2	Low	92 Å²	92	77.1 Å²	77.1	56%	0.564	45%	0.447	S	S	*	.	H	α-helix	trans	-88.2	-26.7	177.4	51.6	0	0	0	0	114.6	A16 L17 T22	A16-T20 PolarHBondContact O-N 3.47Å; A16-T20 VanDerWaalsContact O-N 3.14Å; A16-T20 PolarHBondContact O-OG1 2.96Å; L17-T20 WeakPolarHBondContact CA-OG1 3.17Å; L17-T20 PolarHBondContact O-N 3.16Å; L17-T20 PolarHBondContact O-OG1 2.91Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 3.21Å
21	E	38	Very low	59.5	Low	161 Å²	161	72.9 Å²	72.9	75%	0.752	43%	0.425	S	S	*	.	H	α-helix	trans	-71.9	-24.2	180	-75.9	-169.8	133.7	0	0	113.4	L17 W23	L17-E21 PolarHBondContact O-N 2.71Å; L17-E21 VanDerWaalsContact O-N 3.17Å; E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 2.91Å
22	T	42.8	Very low	61.8	Low	105 Å²	105	71.2 Å²	71.2	64%	0.644	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.3	-177.1	50	0	0	0	0	115.1	L19 T20	L19-T22 PolarHBondContact O-OG1 3.38Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 3.21Å
23	W	51.6	Low	64.3	Low	88 Å²	88	65.6 Å²	65.6	33%	0.333	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	14.9	-176.4	-63.5	74	0	0	0	113	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 2.91Å; W23-C25 PolarHBondContact O-N 2.9Å; W23-H287 WeakPolarHBondContact CH2-O 3.28Å; W23-H287 WeakPolarHBondContact CZ3-O 3.05Å; W23-E288 HydrophobicContact CE3-CG 4.47Å; W23-E288 VanDerWaalsContact CZ3-C 3.5Å; W23-E288 VanDerWaalsContact CZ3-CA 3.44Å; W23-E288 VanDerWaalsContact CZ3-O 3.31Å; W23-E288 WeakPolarHBondContact CZ3-O 3.35Å; W23-L290 HydrophobicContact CH2-CB 4.44Å; W23-L290 WeakPolarHBondContact CH2-O 3.48Å; W23-L290 WeakPolarHBondContact CZ3-O 3.35Å
24	A	54	Low	67.1	Low	51 Å²	51	62.6 Å²	62.6	42%	0.421	37%	0.369	S	S	.	.	S	Bend	trans	-83.4	93.1	178	0	0	0	0	0	109	S26 P129	A24-S26 PolarHBondContact O-N 3Å; A24-P129 HydrophobicContact CB-CB 4.46Å; A24-P129 HydrophobicContact CB-CG 3.48Å; A24-P129 VanDerWaalsContact CB-CG 3.48Å
25	C	73.8	Confident	69.8	Low	60 Å²	60	59.7 Å²	59.7	41%	0.405	35%	0.349	S	S	.	.			trans	-44.7	113	-173.3	-52.5	0	0	0	0	112.2	W23 P129 E288	W23-C25 PolarHBondContact O-N 2.9Å; C25-P129 WeakPolarHBondContact O-CA 3.28Å; C25-E288 PolarHBondContact SG-OE1 2.89Å
26	S	90.9	Very high	72.5	Confident	74 Å²	74	59.9 Å²	59.9	52%	0.517	34%	0.343	S	S	.	.			trans	-111.7	141	175.2	65.8	0	0	0	0	108.7	A24 L127	A24-S26 PolarHBondContact O-N 3Å; S26-L127 WeakPolarHBondContact CA-O 3.23Å; S26-L127 WeakPolarHBondContact CB-O 3.4Å
27	H	95.4	Very high	75.3	Confident	35 Å²	35	58.3 Å²	58.3	16%	0.162	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.4	-174.7	-70.2	-71.7	0	0	0	110.9	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.45Å; H27-D53 IonicContact CE1-OD2 2.67Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD1 3.15Å; H27-D53 IonicContact ND1-OD2 3.36Å; H27-D53 PolarHBondContact ND1-OD2 3.35Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; H27-L127 PolarHBondContact N-O 2.9Å; H27-L127 PolarHBondContact O-N 3.14Å; H27-L192 HydrophobicContact CB-CD1 4.49Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.41Å
28	S	97.5	Very high	78.1	Confident	23 Å²	23	56.8 Å²	56.8	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.4	-177.3	67.3	0	0	0	0	112.4	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.4Å; S28-D53 PolarHBondContact N-OD1 2.83Å; S28-D53 PolarHBondContact O-N 3.45Å; S28-D53 PolarHBondContact OG-OD1 3.04Å; S28-C125 CarbonylContact C-O 3.53Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; S28-D126 WeakPolarHBondContact CB-OD1 3.3Å
29	M	98.6	Very high	80.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.7	165.8	178.6	174.6	56.7	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.09Å; M29-Y31 HydrophobicContact CG-CD2 4.4Å; M29-Y31 HydrophobicContact CG-CE2 3.78Å; M29-Y31 HydrophobicContact SD-CE2 3.69Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; M29-V52 HydrophobicContact CB-CG2 4.48Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; M29-F57 HydrophobicContact CG-CE1 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.44Å; M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.38Å; M29-C125 PolarHBondContact N-O 2.86Å; M29-C125 PolarHBondContact O-N 3.18Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.45Å; M29-C188 WeakPolarHBondContact CE-SG 3.36Å; M29-W191 HydrophobicContact CE-CB 4.17Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.24Å; M29-Y195 HydrophobicContact SD-CD2 3.83Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.6	Very high	83.3	Confident	49 Å²	49	55.7 Å²	55.7	19%	0.185	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.4	-175	-53.5	-63.1	-171.9	72.8	0.7	110.3	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; R30-Y51 PolarHBondContact N-O 3.31Å; R30-Y51 PolarHBondContact O-N 2.96Å; R30-D126 IonicContact CZ-OD1 3.38Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.94Å; R30-D126 IonicContact NE-OD1 3.69Å; R30-D126 PolarHBondContact NE-OD1 2.89Å; R30-D126 IonicContact NH2-OD1 3.53Å; R30-D126 PolarHBondContact NH2-OD1 2.83Å; R30-D126 IonicContact NH2-OD2 3.22Å; R30-D126 PolarHBondContact NH2-OD2 2.62Å; R30-Y137 PolarHBondContact NH2-OH 2.87Å
31	Y	98.8	Very high	86	Confident	6 Å²	6	61.7 Å²	61.7	2%	0.024	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.8	172	-66.2	-96.6	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.09Å; M29-Y31 HydrophobicContact CG-CD2 4.4Å; M29-Y31 HydrophobicContact CG-CE2 3.78Å; M29-Y31 HydrophobicContact SD-CE2 3.69Å; Y31-Y33 HydrophobicContact CD1-CE1 4.4Å; Y31-V49 WeakPolarHBondContact CA-O 3.47Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.91Å; Y31-V58 HydrophobicContact CE1-CG1 4.3Å; Y31-M122 WeakPolarHBondContact O-CA 3.28Å; Y31-Y123 HydrophobicContact CD2-CD2 4.37Å; Y31-Y123 AromaticContact CD2-CE2 3.6Å; Y31-Y123 HydrophobicContact CD2-CE2 3.6Å; Y31-Y123 AromaticContact CD2-CZ 3.71Å; Y31-Y123 HydrophobicContact CE2-CE2 4.28Å; Y31-Y123 HydrophobicContact CG-CE1 4.19Å; Y31-Y123 HydrophobicContact CG-CE2 4.07Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 3.37Å; Y31-Y123 PolarHBondContact O-N 2.88Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.9	Very high	88.6	Confident	88 Å²	88	57 Å²	57	39%	0.386	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.4	178.1	-55.9	-95.2	0	0	0	109	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; F32-A48 WeakPolarHBondContact O-CA 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 3.41Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.13Å; F32-R121 WeakPolarHBondContact CA-O 3.18Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.44Å; F32-M122 VanDerWaalsContact CE1-CG 3.44Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 4.09Å
33	Y	98.8	Very high	91	Very high	10 Å²	10	56.4 Å²	56.4	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.6	177.6	-60.9	-14.6	0	0	0	109.7	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.4Å; Y33-F46 HydrophobicContact CD1-CZ 4.1Å; Y33-F46 HydrophobicContact CD2-CE2 4.18Å; Y33-F46 AromaticContact CD2-CZ 3.88Å; Y33-F46 HydrophobicContact CD2-CZ 3.88Å; Y33-F46 HydrophobicContact CE2-CZ 4.31Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.75Å; Y33-F46 HydrophobicContact CG-CZ 3.75Å; Y33-I47 WeakPolarHBondContact CA-O 3.17Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.41Å; Y33-A48 VanDerWaalsContact CE1-CB 3.41Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; Y33-Y91 HydrophobicContact CE1-CD1 4.1Å; Y33-Y91 AromaticContact CE1-CE1 3.78Å; Y33-Y91 HydrophobicContact CE1-CE1 3.78Å; Y33-Y91 AromaticContact CZ-CE1 3.95Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.19Å; Y33-Q94 HydrophobicContact CD2-CG 3.59Å; Y33-Q94 HydrophobicContact CE2-CB 4.37Å; Y33-Q94 HydrophobicContact CE2-CG 3.64Å; Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; Y33-R121 PolarHBondContact N-O 2.87Å; Y33-R121 PolarHBondContact O-N 2.85Å; Y33-Y123 HydrophobicContact CD2-CE1 4.13Å; Y33-Y123 HydrophobicContact CE1-CE1 4.23Å; Y33-Y123 AromaticContact CE2-CE1 3.54Å; Y33-Y123 HydrophobicContact CE2-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CE1 3.63Å; Y33-Y123 PolarHBondContact OH-OH 2.73Å
34	T	98.9	Very high	93.2	Very high	42 Å²	42	53.4 Å²	53.4	26%	0.258	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	119	178.5	-59.3	0	0	0	0	109.8	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.93Å; T34-F46 WeakPolarHBondContact O-CA 3.45Å; T34-I47 PolarHBondContact N-O 2.78Å; T34-I47 PolarHBondContact O-N 2.86Å; T34-T118 HydrophobicContact CG2-CG2 4.12Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å
35	A	98.8	Very high	95.3	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.2	175.7	0	0	0	0	0	110.2	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.55Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.42Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.79Å; A35-L102 HydrophobicContact CB-CD1 3.95Å; A35-T118 WeakPolarHBondContact O-CA 3.02Å; A35-L119 HydrophobicContact CB-CB 4.47Å; A35-L119 PolarHBondContact N-O 3.07Å; A35-L119 PolarHBondContact O-N 3.17Å
36	V	98.6	Very high	96.5	Very high	41 Å²	41	51.6 Å²	51.6	25%	0.248	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.9	-176.9	-173.6	0	0	0	0	110	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.93Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.29Å; V36-R45 PolarHBondContact N-O 2.96Å; V36-R45 PolarHBondContact O-N 3.25Å; V36-R45 VanDerWaalsContact O-N 3.07Å; V36-H117 CarbonylContact C-O 3.55Å; V36-H117 WeakPolarHBondContact CA-O 3.36Å; V36-T118 HydrophobicContact CG2-CG2 4.35Å
37	S	98	Very high	96.9	Very high	18 Å²	18	50.6 Å²	50.6	13%	0.126	28%	0.276	C	S	.	.			trans	-69.3	147.7	176	76.9	0	0	0	0	111.6	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.33Å; S37-S116 PolarHBondContact O-OG 3.38Å; S37-S116 VanDerWaalsContact O-OG 3.1Å; S37-H117 PolarHBondContact N-O 3.17Å; S37-H117 PolarHBondContact OG-N 2.81Å; S37-H117 PolarHBondContact OG-O 2.78Å
38	R	96.3	Very high	97	Very high	80 Å²	80	48.9 Å²	48.9	30%	0.302	27%	0.268	S	S	.	.			trans	-138.9	71.7	-172.1	-68	173.5	168.5	-174.7	-7.3	111.6	G40 R41 R45 D63	R38-G40 PolarHBondContact O-N 3.39Å; R38-R41 HydrophobicContact CB-CB 4.19Å; R38-R41 PolarHBondContact O-N 2.84Å; R38-R45 VanDerWaalsContact NH2-CD 3.29Å; R38-D63 IonicContact CZ-OD2 3.81Å; R38-D63 IonicContact NH1-OD1 2.71Å; R38-D63 PolarHBondContact NH1-OD1 3.14Å; R38-D63 IonicContact NH1-OD2 3.24Å; R38-D63 PolarHBondContact NH1-OD2 3.3Å; R38-D63 IonicContact NH2-OD2 2.74Å; R38-D63 PolarHBondContact NH2-OD2 3.48Å
39	P	92.8	Very high	97.1	Very high	55 Å²	55	49 Å²	49	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	130.5	-178.5	-27.3	35.9	0	0	0	112.5	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.94Å; P39-E113 WeakPolarHBondContact CB-O 3.49Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.18Å; P39-G115 WeakPolarHBondContact CG-O 3.28Å
40	G	91.5	Very high	97.1	Very high	89 Å²	89	49 Å²	49	92%	0.918	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	2.1	-177.5	0	0	0	0	0	116.2	R38	R38-G40 PolarHBondContact O-N 3.39Å
41	R	93.4	Very high	97.1	Very high	217 Å²	217	50 Å²	50	82%	0.819	27%	0.272	S	S	*	.	S	Bend	trans	-126.6	32.2	-178.7	-57.3	-175.7	-177.6	-169.4	0.8	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.19Å; R38-R41 PolarHBondContact O-N 2.84Å; P39-R41 PolarHBondContact O-N 2.94Å
42	G	91.8	Very high	97.1	Very high	62 Å²	62	49.8 Å²	49.8	64%	0.639	27%	0.271	S	S	*	.	S	Bend	trans	92.4	-152.3	179.3	0	0	0	0	0	113.5
43	E	94.6	Very high	96.9	Very high	93 Å²	93	47 Å²	47	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-84.2	164.4	-178.9	-68	-62.2	170.7	0	0	112.4	R45 R99 R103	E43-R45 PolarHBondContact O-N 3.34Å; E43-R99 VanDerWaalsContact CD-NH2 3.32Å; E43-R99 IonicContact OE1-CZ 2.76Å; E43-R99 IonicContact OE1-NE 2.64Å; E43-R99 PolarHBondContact OE1-NE 3.24Å; E43-R99 IonicContact OE1-NH2 3.8Å; E43-R99 PolarHBondContact OE1-NH2 2.89Å; E43-R99 IonicContact OE2-CZ 3.11Å; E43-R99 IonicContact OE2-NE 3.17Å; E43-R99 PolarHBondContact OE2-NE 3.17Å; E43-R99 IonicContact OE2-NH2 2.71Å; E43-R103 IonicContact OE1-NH2 2.81Å; E43-R103 IonicContact OE2-NH2 3.26Å; E43-R103 PolarHBondContact OE2-NH2 3.43Å
44	P	97.3	Very high	96.8	Very high	26 Å²	26	49.4 Å²	49.4	17%	0.169	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-58.6	130.3	173	-23.1	34	0	0	0	111.7	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.29Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.29Å; P44-L102 HydrophobicContact CB-CD1 3.61Å; P44-L102 HydrophobicContact CG-CD1 3.78Å
45	R	98.4	Very high	96.6	Very high	70 Å²	70	48.4 Å²	48.4	26%	0.264	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	133	170.8	179.3	-176	-165.8	157.8	-25.5	108.8	A35 V36 R38 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.55Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.42Å; V36-R45 PolarHBondContact N-O 2.96Å; V36-R45 PolarHBondContact O-N 3.25Å; V36-R45 VanDerWaalsContact O-N 3.07Å; R38-R45 VanDerWaalsContact NH2-CD 3.29Å; E43-R45 PolarHBondContact O-N 3.34Å; R45-I47 HydrophobicContact CG-CG1 4.16Å; R45-D61 IonicContact CZ-OD1 3.42Å; R45-D61 IonicContact CZ-OD2 2.66Å; R45-D61 VanDerWaalsContact CZ-OD2 3.26Å; R45-D61 IonicContact NE-OD1 3.12Å; R45-D61 PolarHBondContact NE-OD1 3.31Å; R45-D61 IonicContact NE-OD2 2.76Å; R45-D61 PolarHBondContact NE-OD2 3.45Å; R45-D61 IonicContact NH2-OD1 3.54Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.39Å; R45-S62 VanDerWaalsContact CA-OG 3.31Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-S62 WeakPolarHBondContact CG-OG 3.31Å; R45-D63 WeakPolarHBondContact CB-OD1 3.44Å; R45-D63 VanDerWaalsContact CD-CG 3.44Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 VanDerWaalsContact CG-OD1 3.29Å; R45-D63 WeakPolarHBondContact CG-OD1 3.43Å; R45-D63 IonicContact CZ-OD2 2.86Å; R45-D63 IonicContact NE-OD2 3.62Å; R45-D63 PolarHBondContact NE-OD2 3.13Å; R45-D63 IonicContact NH1-OD2 3.28Å; R45-D63 PolarHBondContact NH1-OD2 3.19Å
46	F	98.8	Very high	96.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.2	172.7	177.7	-91.5	0	0	0	109.3	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95	Y33-F46 HydrophobicContact CD1-CZ 4.1Å; Y33-F46 HydrophobicContact CD2-CE2 4.18Å; Y33-F46 AromaticContact CD2-CZ 3.88Å; Y33-F46 HydrophobicContact CD2-CZ 3.88Å; Y33-F46 HydrophobicContact CE2-CZ 4.31Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.75Å; Y33-F46 HydrophobicContact CG-CZ 3.75Å; T34-F46 WeakPolarHBondContact O-CA 3.45Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.67Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; F46-F60 AromaticContact CD1-CD1 3.8Å; F46-F60 HydrophobicContact CD1-CD1 3.8Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.09Å; F46-F60 HydrophobicContact CE1-CE1 4.44Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.97Å; F46-S62 PolarHBondContact O-OG 3.46Å; F46-Y91 HydrophobicContact CE1-CD1 4.38Å; F46-Q94 HydrophobicContact CE2-CB 4.16Å; F46-Q94 HydrophobicContact CE2-CG 3.55Å; F46-Q94 HydrophobicContact CZ-CB 3.88Å; F46-Q94 HydrophobicContact CZ-CG 3.58Å; F46-A95 HydrophobicContact CB-CB 3.58Å; F46-A95 HydrophobicContact CD1-CB 3.88Å; F46-A95 HydrophobicContact CD2-CB 4.15Å; F46-A95 HydrophobicContact CG-CB 3.6Å
47	I	98.8	Very high	96.6	Very high	53 Å²	53	48.8 Å²	48.8	27%	0.272	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.1	169.9	-63.4	163.9	0	0	0	107.6	Y33 T34 R45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.17Å; T34-I47 PolarHBondContact N-O 2.78Å; T34-I47 PolarHBondContact O-N 2.86Å; R45-I47 HydrophobicContact CG-CG1 4.16Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å
48	A	98.8	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.6	168.4	0	0	0	0	0	110.3	F32 Y33 F46 Q59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.34Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.41Å; Y33-A48 VanDerWaalsContact CE1-CB 3.41Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; F46-A48 HydrophobicContact CE1-CB 3.67Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; A48-Q59 CarbonylContact O-C 3.55Å; A48-Q59 WeakPolarHBondContact O-CA 3.41Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 3Å; A48-F60 PolarHBondContact O-N 3.4Å; A48-Y91 HydrophobicContact CB-CD1 3.7Å; A48-Y91 HydrophobicContact CB-CE1 3.75Å
49	V	98.8	Very high	96.7	Very high	26 Å²	26	46.7 Å²	46.7	16%	0.158	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.4	170.4	-63.7	0	0	0	0	109.8	Y31 F32 I47 Y51 Q56 V58 Q59	Y31-V49 WeakPolarHBondContact CA-O 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 3.41Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.32Å; V49-V58 WeakPolarHBondContact CA-O 3.42Å; V49-Q59 HydrophobicContact CG1-CG 4.14Å
50	G	98.6	Very high	97	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.6	176.4	0	0	0	0	0	111	F57 V58	G50-F57 VanDerWaalsContact C-CD1 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.34Å; G50-V58 PolarHBondContact N-O 3.01Å; G50-V58 PolarHBondContact O-N 3.28Å
51	Y	98.6	Very high	97.3	Very high	70 Å²	70	41.1 Å²	41.1	28%	0.275	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.4	-177	-76.7	-105.5	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.34Å; R30-Y51 PolarHBondContact N-O 3.31Å; R30-Y51 PolarHBondContact O-N 2.96Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.13Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.34Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.23Å; Y51-Q56 HydrophobicContact CE1-CB 3.63Å; Y51-Q56 HydrophobicContact CE1-CG 4.32Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.42Å
52	V	98.2	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.9	156.6	176.1	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.4Å; M29-V52 HydrophobicContact CB-CG2 4.48Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; V52-D54 PolarHBondContact O-N 2.96Å; V52-T55 PolarHBondContact N-O 3.05Å; V52-T55 WeakPolarHBondContact O-CA 3.36Å; V52-T55 WeakPolarHBondContact O-CB 3.31Å; V52-T55 PolarHBondContact O-N 3.41Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.96Å; V52-W75 HydrophobicContact CB-CH2 4.22Å; V52-W75 HydrophobicContact CB-CZ2 4.32Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.71Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; V52-L196 HydrophobicContact CG1-CD2 4.13Å; V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.21Å; V52-L203 HydrophobicContact CG1-CD1 3.84Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53	D	95.7	Very high	97.8	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-132.7	-165.3	-50.7	-42.1	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.45Å; H27-D53 IonicContact CE1-OD2 2.67Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD1 3.15Å; H27-D53 IonicContact ND1-OD2 3.36Å; H27-D53 PolarHBondContact ND1-OD2 3.35Å; S28-D53 PolarHBondContact N-OD1 2.83Å; S28-D53 PolarHBondContact O-N 3.45Å; S28-D53 PolarHBondContact OG-OD1 3.04Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 3.49Å
54	D	95.5	Very high	97.9	Very high	62 Å²	62	31 Å²	31	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.5	176.7	-61.1	-61.5	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.96Å; D54-Y233 HydrophobicContact CB-CE2 4.06Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 HydrophobicContact CB-CB 4.39Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 WeakPolarHBondContact OD1-CB 3.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 3.04Å; D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	96.4	Very high	97.9	Very high	21 Å²	21	35.3 Å²	35.3	13%	0.129	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.1	-176.2	-62.9	0	0	0	0	111.8	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.34Å; V52-T55 PolarHBondContact N-O 3.05Å; V52-T55 WeakPolarHBondContact O-CA 3.36Å; V52-T55 WeakPolarHBondContact O-CB 3.31Å; V52-T55 PolarHBondContact O-N 3.41Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 3.49Å; T55-F57 PolarHBondContact O-N 3.02Å; T55-A73 HydrophobicContact CG2-CB 4.25Å; T55-W75 HydrophobicContact CG2-CZ2 4.31Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; T55-Y233 PolarHBondContact OG1-OH 2.95Å
56	Q	97.5	Very high	97.7	Very high	52 Å²	52	36 Å²	36	24%	0.243	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.5	170	-165.3	-173.5	-6.8	0	0	110.4	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.23Å; Y51-Q56 HydrophobicContact CE1-CB 3.63Å; Y51-Q56 HydrophobicContact CE1-CG 4.32Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.42Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; Q56-V58 VanDerWaalsContact NE2-O 3.09Å; Q56-R72 HydrophobicContact CG-CB 4.23Å; Q56-R72 HydrophobicContact CG-CG 4.49Å; Q56-R72 CarbonylContact O-C 3.56Å
57	F	98.1	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-21.3	179.1	74.8	-89.5	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.44Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.91Å; G50-F57 VanDerWaalsContact C-CD1 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.34Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.96Å; T55-F57 PolarHBondContact O-N 3.02Å; F57-R72 PolarHBondContact O-N 2.92Å; F57-A73 HydrophobicContact CB-CB 4.06Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.48Å; F57-W75 VanDerWaalsContact CB-CZ2 3.48Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 AromaticContact CD1-CH2 3.88Å; F57-W75 HydrophobicContact CD1-CH2 3.88Å; F57-W75 HydrophobicContact CD2-CH2 4.09Å; F57-W75 HydrophobicContact CD2-CZ3 4.27Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.32Å; F57-V76 HydrophobicContact CD2-CG2 4.17Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.44Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE1-CE2 4.26Å; F57-Y195 HydrophobicContact CE2-CD2 4.43Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.8Å; F57-Y195 HydrophobicContact CZ-CD2 4.25Å; F57-Y195 AromaticContact CZ-CE2 3.56Å; F57-Y195 HydrophobicContact CZ-CE2 3.56Å
58	V	98.3	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.1	-179	64.1	0	0	0	0	112.6	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.3Å; V49-V58 WeakPolarHBondContact CA-O 3.42Å; G50-V58 PolarHBondContact N-O 3.01Å; G50-V58 PolarHBondContact O-N 3.28Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; Q56-V58 VanDerWaalsContact NE2-O 3.09Å; V58-E70 WeakPolarHBondContact CA-O 3.47Å; V58-W84 HydrophobicContact CG2-CZ3 4.09Å; V58-Y91 HydrophobicContact CG2-CE2 4.24Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.35Å
59	Q	98.3	Very high	97.5	Very high	53 Å²	53	42.2 Å²	42.2	25%	0.248	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151	168.4	-172.4	170.4	14.9	0	0	111	A48 V49 G69 E70 R72	A48-Q59 CarbonylContact O-C 3.55Å; A48-Q59 WeakPolarHBondContact O-CA 3.41Å; V49-Q59 HydrophobicContact CG1-CG 4.14Å; Q59-G69 CarbonylContact O-C 3.57Å; Q59-G69 WeakPolarHBondContact O-CA 3.43Å; Q59-E70 PolarHBondContact N-O 2.91Å; Q59-E70 PolarHBondContact O-N 2.92Å; Q59-R72 HydrophobicContact CB-CG 4.04Å; Q59-R72 VanDerWaalsContact OE1-CZ 3.28Å
60	F	98.8	Very high	97.4	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.8	162.6	173.4	-77.8	0	0	0	108.7	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.8Å; F46-F60 HydrophobicContact CD1-CD1 3.8Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.09Å; F46-F60 HydrophobicContact CE1-CE1 4.44Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 3Å; A48-F60 PolarHBondContact O-N 3.4Å; F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.42Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.53Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.77Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.67Å; F60-Y91 HydrophobicContact CD2-CD2 3.67Å; F60-Y91 AromaticContact CD2-CG 3.92Å; F60-Y91 HydrophobicContact CD2-CG 3.92Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; F60-K92 HydrophobicContact CE2-CG 4.09Å; F60-K92 HydrophobicContact CZ-CG 3.94Å
61	D	98.6	Very high	97.4	Very high	23 Å²	23	45.9 Å²	45.9	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.8	174.1	-160.2	-35.2	0	0	0	110.5	R45 D63 A64	R45-D61 IonicContact CZ-OD1 3.42Å; R45-D61 IonicContact CZ-OD2 2.66Å; R45-D61 VanDerWaalsContact CZ-OD2 3.26Å; R45-D61 IonicContact NE-OD1 3.12Å; R45-D61 PolarHBondContact NE-OD1 3.31Å; R45-D61 IonicContact NE-OD2 2.76Å; R45-D61 PolarHBondContact NE-OD2 3.45Å; R45-D61 IonicContact NH2-OD1 3.54Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.39Å; D61-D63 VanDerWaalsContact C-N 3.31Å; D61-D63 PolarHBondContact OD1-N 3.34Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.2Å
62	S	98.3	Very high	97.3	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.9	176.8	65.3	0	0	0	0	114	R45 F46 A64	R45-S62 VanDerWaalsContact CA-OG 3.31Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-S62 WeakPolarHBondContact CG-OG 3.31Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.97Å; F46-S62 PolarHBondContact O-OG 3.46Å; S62-A64 VanDerWaalsContact C-N 3.27Å
63	D	97.4	Very high	97.2	Very high	77 Å²	77	47.9 Å²	47.9	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.1	179.1	-73.6	13.1	0	0	0	112.2	R38 R45 D61	R38-D63 IonicContact CZ-OD2 3.81Å; R38-D63 IonicContact NH1-OD1 2.71Å; R38-D63 PolarHBondContact NH1-OD1 3.14Å; R38-D63 IonicContact NH1-OD2 3.24Å; R38-D63 PolarHBondContact NH1-OD2 3.3Å; R38-D63 IonicContact NH2-OD2 2.74Å; R38-D63 PolarHBondContact NH2-OD2 3.48Å; R45-D63 WeakPolarHBondContact CB-OD1 3.44Å; R45-D63 VanDerWaalsContact CD-CG 3.44Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 VanDerWaalsContact CG-OD1 3.29Å; R45-D63 WeakPolarHBondContact CG-OD1 3.43Å; R45-D63 IonicContact CZ-OD2 2.86Å; R45-D63 IonicContact NE-OD2 3.62Å; R45-D63 PolarHBondContact NE-OD2 3.13Å; R45-D63 IonicContact NH1-OD2 3.28Å; R45-D63 PolarHBondContact NH1-OD2 3.19Å; D61-D63 VanDerWaalsContact C-N 3.31Å; D61-D63 PolarHBondContact OD1-N 3.34Å
64	A	97.1	Very high	97.3	Very high	43 Å²	43	51.2 Å²	51.2	36%	0.355	30%	0.295	S	S	.	.	S	Bend	trans	-66.9	147.4	177.8	0	0	0	0	0	111.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.2Å; S62-A64 VanDerWaalsContact C-N 3.27Å; A64-S66 PolarHBondContact O-N 2.72Å; A64-S66 VanDerWaalsContact O-N 3.11Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 2.95Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.27Å
65	A	96.3	Very high	97.3	Very high	118 Å²	118	49 Å²	49	98%	0.975	28%	0.281	S	S	*	.	S	Bend	trans	-61.5	-23.3	-178.7	0	0	0	0	0	114.1
66	S	95.6	Very high	97.3	Very high	85 Å²	85	48 Å²	48	59%	0.594	28%	0.275	S	S	*	.	S	Bend	trans	-140.9	90.7	167.9	-173.2	0	0	0	0	109	A64 R68	A64-S66 PolarHBondContact O-N 2.72Å; A64-S66 VanDerWaalsContact O-N 3.11Å; S66-R68 PolarHBondContact O-N 2.95Å; S66-R68 VanDerWaalsContact O-N 3.14Å
67	P	96.8	Very high	97.2	Very high	35 Å²	35	51.2 Å²	51.2	23%	0.227	29%	0.29	C	S	.	.			trans	-63.9	116.3	-173.6	-25.9	36.6	0	0	0	111.8	F60 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 2.95Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.27Å; P67-K92 WeakPolarHBondContact O-CE 3.01Å; P67-K92 PolarHBondContact O-NZ 2.9Å
68	R	97.6	Very high	97	Very high	144 Å²	144	57.4 Å²	57.4	54%	0.543	32%	0.319	S	S	.	.			trans	-147.8	161.5	178.5	63.4	-176.8	176.2	179.6	-0.4	109.9	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.42Å; S66-R68 PolarHBondContact O-N 2.95Å; S66-R68 VanDerWaalsContact O-N 3.14Å; R68-E70 HydrophobicContact CG-CG 4.07Å; R68-E70 IonicContact NE-OE1 3.36Å; R68-E70 IonicContact NH2-OE1 3.7Å; R68-T88 WeakPolarHBondContact CA-OG1 3.15Å; R68-T88 HydrophobicContact CB-CG2 4.29Å
69	G	97.3	Very high	97	Very high	5 Å²	5	57.9 Å²	57.9	5%	0.052	32%	0.322	C	S	.	.			trans	-67	132.2	164.3	0	0	0	0	0	109.1	Q59 T88	Q59-G69 CarbonylContact O-C 3.57Å; Q59-G69 WeakPolarHBondContact O-CA 3.43Å; G69-T88 PolarHBondContact N-OG1 2.93Å
70	E	97.6	Very high	96.8	Very high	58 Å²	58	57.1 Å²	57.1	27%	0.271	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140	177.5	-58.2	-162.2	144.2	0	0	110.8	V58 Q59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.47Å; Q59-E70 PolarHBondContact N-O 2.91Å; Q59-E70 PolarHBondContact O-N 2.92Å; R68-E70 HydrophobicContact CG-CG 4.07Å; R68-E70 IonicContact NE-OE1 3.36Å; R68-E70 IonicContact NH2-OE1 3.7Å; E70-R72 IonicContact OE2-CZ 2.79Å; E70-R72 IonicContact OE2-NH1 2.66Å; E70-R72 PolarHBondContact OE2-NH1 2.93Å; E70-R72 IonicContact OE2-NH2 3.33Å; E70-R72 PolarHBondContact OE2-NH2 2.84Å
71	P	97.8	Very high	96.7	Very high	46 Å²	46	61.7 Å²	61.7	30%	0.299	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	149.4	171.6	28.6	-34.4	0	0	0	111.4	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.94Å; P71-E77 HydrophobicContact CB-CG 3.68Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.74Å; P71-W84 HydrophobicContact CB-CZ2 3.97Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å
72	R	97.3	Very high	96.6	Very high	105 Å²	105	68.4 Å²	68.4	40%	0.396	39%	0.389	S	S	.	.	S	Bend	trans	-131.5	-2.5	171	-63.6	-64.9	179.8	-105.5	3.9	113.3	Q56 F57 Q59 E70	Q56-R72 HydrophobicContact CG-CB 4.23Å; Q56-R72 HydrophobicContact CG-CG 4.49Å; Q56-R72 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 2.92Å; Q59-R72 HydrophobicContact CB-CG 4.04Å; Q59-R72 VanDerWaalsContact OE1-CZ 3.28Å; E70-R72 IonicContact OE2-CZ 2.79Å; E70-R72 IonicContact OE2-NH1 2.66Å; E70-R72 PolarHBondContact OE2-NH1 2.93Å; E70-R72 IonicContact OE2-NH2 3.33Å; E70-R72 PolarHBondContact OE2-NH2 2.84Å
73	A	96	Very high	96.6	Very high	6 Å²	6	67 Å²	67	5%	0.05	38%	0.377	C	S	.	.	S	Bend	trans	-136.3	139	171.7	0	0	0	0	0	110.9	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.25Å; F57-A73 HydrophobicContact CB-CB 4.06Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 PolarHBondContact O-N 2.78Å; A73-W75 VanDerWaalsContact O-N 3.12Å; A73-V76 WeakPolarHBondContact O-CG1 3.13Å; A73-V76 PolarHBondContact O-N 3.14Å
74	P	96.1	Very high	96.6	Very high	100 Å²	100	65.1 Å²	65.1	65%	0.649	37%	0.365	S	S	*	.	H	α-helix	trans	-58.6	-30.8	-175.5	-27.8	35.7	0	0	0	114.7	V76 E77	P74-V76 PolarHBondContact O-N 2.82Å; P74-E77 WeakPolarHBondContact O-CB 3.42Å; P74-E77 PolarHBondContact O-N 2.87Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	95.9	Very high	96.6	Very high	15 Å²	15	68 Å²	68	6%	0.057	37%	0.374	C	S	.	.	H	α-helix	trans	-72	-9.6	-177	55.4	-109.4	0	0	0	114.8	V52 T55 F57 A73 Y195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.22Å; V52-W75 HydrophobicContact CB-CZ2 4.32Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; T55-W75 HydrophobicContact CG2-CZ2 4.31Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.48Å; F57-W75 VanDerWaalsContact CB-CZ2 3.48Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 AromaticContact CD1-CH2 3.88Å; F57-W75 HydrophobicContact CD1-CH2 3.88Å; F57-W75 HydrophobicContact CD2-CH2 4.09Å; F57-W75 HydrophobicContact CD2-CZ3 4.27Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 PolarHBondContact O-N 2.78Å; A73-W75 VanDerWaalsContact O-N 3.12Å; W75-Y195 HydrophobicContact CE3-CD1 4.36Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.39Å; W75-Y195 HydrophobicContact CH2-CG 4.07Å; W75-Y195 AromaticContact CZ3-CD1 3.65Å; W75-Y195 HydrophobicContact CZ3-CD1 3.65Å; W75-Y195 HydrophobicContact CZ3-CD2 4.21Å; W75-Y195 HydrophobicContact CZ3-CE1 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; W75-N198 HydrophobicContact CB-CB 4.41Å; W75-G199 VanDerWaalsContact CB-CA 3.46Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.78Å; W75-L203 HydrophobicContact CZ2-CD2 3.99Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	V	97.1	Very high	96.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-100.4	-12.9	170.2	77.6	0	0	0	0	112.6	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.32Å; F57-V76 HydrophobicContact CD2-CG2 4.17Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.44Å; P71-V76 HydrophobicContact CB-CG1 3.94Å; A73-V76 WeakPolarHBondContact O-CG1 3.13Å; A73-V76 PolarHBondContact O-N 3.14Å; P74-V76 PolarHBondContact O-N 2.82Å; V76-Q78 PolarHBondContact O-N 2.93Å; V76-E79 HydrophobicContact CG2-CB 4.41Å; V76-E79 HydrophobicContact CG2-CG 3.71Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 3Å; V76-Y83 HydrophobicContact CG2-CE1 4.12Å; V76-W84 HydrophobicContact CG1-CH2 3.89Å; V76-W84 HydrophobicContact CG1-CZ2 4.06Å; V76-W84 HydrophobicContact CG2-CH2 4.2Å; V76-W84 HydrophobicContact CG2-CZ2 4.09Å; V76-W84 WeakPolarHBondContact O-CZ2 3.37Å; V76-Y195 HydrophobicContact CG2-CE1 4.23Å
77	E	95.4	Very high	96.8	Very high	120 Å²	120	63.6 Å²	63.6	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-63.3	-23.9	178.4	-64.7	177.8	-167.9	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.68Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P74-E77 WeakPolarHBondContact O-CB 3.42Å; P74-E77 PolarHBondContact O-N 2.87Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 VanDerWaalsContact C-N 3.25Å; E77-E79 PolarHBondContact O-N 2.96Å
78	Q	94.4	Very high	96.9	Very high	129 Å²	129	62.3 Å²	62.3	60%	0.603	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.8	173.2	66.2	175.5	22.2	0	0	114.6	V76 N198	V76-Q78 PolarHBondContact O-N 2.93Å; Q78-N198 PolarHBondContact NE2-ND2 2.77Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.18Å; Q78-N198 PolarHBondContact NE2-OD1 2.82Å
79	E	96.4	Very high	96.9	Very high	11 Å²	11	60 Å²	60	5%	0.051	31%	0.307	C	S	.	.	S	Bend	trans	-71.5	130.8	173.4	-66	-62.6	159.7	0	0	110.7	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.41Å; V76-E79 HydrophobicContact CG2-CG 3.71Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 3Å; E77-E79 VanDerWaalsContact C-N 3.25Å; E77-E79 PolarHBondContact O-N 2.96Å; E79-Y83 HydrophobicContact CB-CD1 3.58Å; E79-Y83 HydrophobicContact CB-CD2 4.3Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.71Å; E79-Y83 HydrophobicContact CG-CD1 4.21Å; E79-Y83 HydrophobicContact CG-CD2 4.32Å; E79-Y83 HydrophobicContact CG-CE1 4.36Å; E79-Y83 HydrophobicContact CG-CE2 4.48Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 2.91Å; E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 2.73Å; E79-R194 IonicContact OE1-NE 3.49Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 3.46Å; E79-R194 PolarHBondContact OE1-NH2 2.85Å; E79-R194 VanDerWaalsContact OE1-NH2 3.15Å; E79-R194 IonicContact OE2-CZ 2.78Å; E79-R194 IonicContact OE2-NE 3.85Å; E79-R194 PolarHBondContact OE2-NE 2.66Å; E79-R194 IonicContact OE2-NH2 2.67Å; E79-R194 PolarHBondContact OE2-NH2 2.93Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å; E79-N198 VanDerWaalsContact OE1-ND2 3.15Å
80	G	95.2	Very high	96.9	Very high	36 Å²	36	63.3 Å²	63.3	37%	0.371	32%	0.319	S	S	.	.			trans	-68.2	169.5	-172.6	0	0	0	0	0	114.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.34Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 2.89Å; G80-W84 PolarHBondContact O-N 2.94Å
81	P	96.5	Very high	97	Very high	101 Å²	101	60.6 Å²	60.6	66%	0.656	31%	0.307	S	S	*	.	H	α-helix	trans	-56.6	-36.5	-176.5	22.4	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 PolarHBondContact O-N 3.43Å; P81-W84 PolarHBondContact O-N 3.41Å; P81-W84 VanDerWaalsContact O-N 3.09Å; P81-D85 PolarHBondContact O-N 3.39Å
82	E	97.1	Very high	97	Very high	165 Å²	165	62.1 Å²	62.1	77%	0.771	31%	0.309	S	S	*	.	H	α-helix	trans	-57.5	-34.4	176.3	-60.8	-177.3	179.9	0	0	113.5	G80 R86	G80-E82 PolarHBondContact O-N 3.34Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.48Å; E82-R86 PolarHBondContact O-N 3.41Å; E82-R86 VanDerWaalsContact O-N 3.09Å
83	Y	97.3	Very high	97	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-53.1	173.6	167.9	-87.3	0	0	0	109.8	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CD1 3.58Å; E79-Y83 HydrophobicContact CB-CD2 4.3Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.71Å; E79-Y83 HydrophobicContact CG-CD1 4.21Å; E79-Y83 HydrophobicContact CG-CD2 4.32Å; E79-Y83 HydrophobicContact CG-CE1 4.36Å; E79-Y83 HydrophobicContact CG-CE2 4.48Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 2.89Å; P81-Y83 PolarHBondContact O-N 3.43Å; Y83-D85 PolarHBondContact O-N 2.95Å; Y83-R86 PolarHBondContact O-N 2.87Å; Y83-R86 VanDerWaalsContact O-N 3.17Å; Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.08Å; Y83-E87 HydrophobicContact CE2-CG 3.85Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.44Å; Y83-E87 PolarHBondContact O-N 3.28Å; Y83-W191 HydrophobicContact CD2-CE3 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.44Å; Y83-W191 AromaticContact CD2-CZ3 3.61Å; Y83-W191 HydrophobicContact CD2-CZ3 3.61Å; Y83-W191 HydrophobicContact CE2-CE3 4.06Å; Y83-W191 HydrophobicContact CE2-CH2 4.06Å; Y83-W191 AromaticContact CE2-CZ3 3.62Å; Y83-W191 HydrophobicContact CE2-CZ3 3.62Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 2.96Å
84	W	97.9	Very high	97.1	Very high	39 Å²	39	65.6 Å²	65.6	15%	0.148	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-38.4	-176.4	-66.7	106.9	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.09Å; P71-W84 HydrophobicContact CB-CH2 3.74Å; P71-W84 HydrophobicContact CB-CZ2 3.97Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å; V76-W84 HydrophobicContact CG1-CH2 3.89Å; V76-W84 HydrophobicContact CG1-CZ2 4.06Å; V76-W84 HydrophobicContact CG2-CH2 4.2Å; V76-W84 HydrophobicContact CG2-CZ2 4.09Å; V76-W84 WeakPolarHBondContact O-CZ2 3.37Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 2.91Å; G80-W84 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 3.41Å; P81-W84 VanDerWaalsContact O-N 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.34Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 2.92Å
85	D	97.9	Very high	97.2	Very high	104 Å²	104	61.6 Å²	61.6	56%	0.556	30%	0.297	S	S	*	.	H	α-helix	trans	-65.4	-47.4	172.5	-80.3	-34.5	0	0	0	111.5	P81 Y83 E87 T88 Q89	P81-D85 PolarHBondContact O-N 3.39Å; Y83-D85 PolarHBondContact O-N 2.95Å; D85-E87 PolarHBondContact O-N 3.36Å; D85-T88 WeakPolarHBondContact O-CB 3.4Å; D85-T88 PolarHBondContact O-N 3.34Å; D85-Q89 WeakPolarHBondContact O-CB 3.47Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.47Å; D85-Q89 PolarHBondContact O-N 3.49Å
86	R	97.4	Very high	97.3	Very high	99 Å²	99	65.4 Å²	65.4	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-44.3	-179.6	-175	-172.3	69.1	-151.2	-1.7	112.3	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.48Å; E82-R86 PolarHBondContact O-N 3.41Å; E82-R86 VanDerWaalsContact O-N 3.09Å; Y83-R86 PolarHBondContact O-N 2.87Å; Y83-R86 VanDerWaalsContact O-N 3.17Å; R86-Q89 PolarHBondContact O-N 3.39Å; R86-K90 WeakPolarHBondContact O-CG 3.38Å; R86-K90 PolarHBondContact O-N 3.13Å
87	E	97.5	Very high	97.4	Very high	10 Å²	10	68.1 Å²	68.1	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-69.2	-41.2	176	-56.7	-39.2	118.3	0	0	111.2	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.08Å; Y83-E87 HydrophobicContact CE2-CG 3.85Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.44Å; Y83-E87 PolarHBondContact O-N 3.28Å; D85-E87 PolarHBondContact O-N 3.36Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 3.25Å; E87-K90 WeakPolarHBondContact O-CB 3.42Å; E87-K90 PolarHBondContact O-N 2.88Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.6Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 WeakPolarHBondContact OE2-CD 3.14Å; E87-K90 WeakPolarHBondContact OE2-CE 3.24Å; E87-K90 IonicContact OE2-NZ 3.19Å; E87-K90 PolarHBondContact OE2-NZ 2.92Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.4Å; E87-Y91 PolarHBondContact O-N 3.5Å
88	T	98.4	Very high	97.5	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-55	-43.7	171.5	-66.9	0	0	0	0	112.3	R68 G69 W84 D85 Y91 K92	R68-T88 WeakPolarHBondContact CA-OG1 3.15Å; R68-T88 HydrophobicContact CB-CG2 4.29Å; G69-T88 PolarHBondContact N-OG1 2.93Å; W84-T88 WeakPolarHBondContact O-CB 3.34Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 2.92Å; D85-T88 WeakPolarHBondContact O-CB 3.4Å; D85-T88 PolarHBondContact O-N 3.34Å; T88-Y91 PolarHBondContact O-N 3.41Å; T88-K92 HydrophobicContact CG2-CD 3.95Å; T88-K92 WeakPolarHBondContact O-CB 3.49Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 2.88Å
89	Q	98.3	Very high	97.7	Very high	96 Å²	96	59.7 Å²	59.7	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-73.8	-27.4	177.9	-65.1	-63.3	-8.6	0	0	112.9	D85 R86 E87 R93	D85-Q89 WeakPolarHBondContact O-CB 3.47Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.47Å; D85-Q89 PolarHBondContact O-N 3.49Å; R86-Q89 PolarHBondContact O-N 3.39Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 3.25Å; Q89-R93 WeakPolarHBondContact O-CB 3.27Å; Q89-R93 WeakPolarHBondContact O-CG 3.35Å; Q89-R93 PolarHBondContact O-N 3.35Å; Q89-R93 PolarHBondContact O-NE 2.83Å
90	K	97.5	Very high	97.7	Very high	73 Å²	73	63.8 Å²	63.8	32%	0.317	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-51.4	167.6	-76.9	159.7	163	178.9	0	110.7	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.38Å; R86-K90 PolarHBondContact O-N 3.13Å; E87-K90 WeakPolarHBondContact O-CB 3.42Å; E87-K90 PolarHBondContact O-N 2.88Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.6Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 WeakPolarHBondContact OE2-CD 3.14Å; E87-K90 WeakPolarHBondContact OE2-CE 3.24Å; E87-K90 IonicContact OE2-NZ 3.19Å; E87-K90 PolarHBondContact OE2-NZ 2.92Å; K90-K92 PolarHBondContact O-N 3.17Å; K90-R93 PolarHBondContact O-N 3.36Å; K90-Q94 PolarHBondContact O-N 2.79Å
91	Y	98.5	Very high	97.9	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-44.4	178.9	-60.8	-48.8	0	0	0	112.3	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.1Å; Y33-Y91 AromaticContact CE1-CE1 3.78Å; Y33-Y91 HydrophobicContact CE1-CE1 3.78Å; Y33-Y91 AromaticContact CZ-CE1 3.95Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.19Å; F46-Y91 HydrophobicContact CE1-CD1 4.38Å; A48-Y91 HydrophobicContact CB-CD1 3.7Å; A48-Y91 HydrophobicContact CB-CE1 3.75Å; V58-Y91 HydrophobicContact CG2-CE2 4.24Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.35Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.53Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.77Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.67Å; F60-Y91 HydrophobicContact CD2-CD2 3.67Å; F60-Y91 AromaticContact CD2-CG 3.92Å; F60-Y91 HydrophobicContact CD2-CG 3.92Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.4Å; E87-Y91 PolarHBondContact O-N 3.5Å; T88-Y91 PolarHBondContact O-N 3.41Å; Y91-R93 PolarHBondContact O-N 3.44Å; Y91-Q94 PolarHBondContact O-N 2.83Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 3.38Å
92	K	98.4	Very high	98	Very high	78 Å²	78	59.2 Å²	59.2	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-39.4	176.1	-74.3	172.9	179.7	168.1	0	113.2	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.09Å; F60-K92 HydrophobicContact CZ-CG 3.94Å; P67-K92 WeakPolarHBondContact O-CE 3.01Å; P67-K92 PolarHBondContact O-NZ 2.9Å; T88-K92 HydrophobicContact CG2-CD 3.95Å; T88-K92 WeakPolarHBondContact O-CB 3.49Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 2.88Å; K90-K92 PolarHBondContact O-N 3.17Å; K92-Q96 PolarHBondContact O-N 2.81Å
93	R	98.3	Very high	97.9	Very high	152 Å²	152	57.5 Å²	57.5	57%	0.574	26%	0.258	S	S	*	.	H	α-helix	trans	-71.1	-35.4	174.4	-75.6	177.3	-67.9	-159.2	1	112.9	Q89 K90 Y91 T97	Q89-R93 WeakPolarHBondContact O-CB 3.27Å; Q89-R93 WeakPolarHBondContact O-CG 3.35Å; Q89-R93 PolarHBondContact O-N 3.35Å; Q89-R93 PolarHBondContact O-NE 2.83Å; K90-R93 PolarHBondContact O-N 3.36Å; Y91-R93 PolarHBondContact O-N 3.44Å; R93-T97 WeakPolarHBondContact O-CB 3.5Å; R93-T97 PolarHBondContact O-N 3.06Å; R93-T97 PolarHBondContact O-OG1 2.8Å
94	Q	98.3	Very high	97.9	Very high	32 Å²	32	62.1 Å²	62.1	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-44.5	174.6	-173.6	70.5	44.8	0	0	110.9	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.59Å; Y33-Q94 HydrophobicContact CE2-CB 4.37Å; Y33-Q94 HydrophobicContact CE2-CG 3.64Å; F46-Q94 HydrophobicContact CE2-CB 4.16Å; F46-Q94 HydrophobicContact CE2-CG 3.55Å; F46-Q94 HydrophobicContact CZ-CB 3.88Å; F46-Q94 HydrophobicContact CZ-CG 3.58Å; K90-Q94 PolarHBondContact O-N 2.79Å; Y91-Q94 PolarHBondContact O-N 2.83Å; Q94-Q96 VanDerWaalsContact C-N 3.32Å; Q94-Q96 PolarHBondContact O-N 3.18Å; Q94-T97 CarbonylContact O-C 3.59Å; Q94-T97 WeakPolarHBondContact O-CA 3.38Å; Q94-T97 VanDerWaalsContact O-CB 3.31Å; Q94-T97 WeakPolarHBondContact O-CB 3.44Å; Q94-T97 PolarHBondContact O-N 2.03Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.38Å; Q94-D98 VanDerWaalsContact NE2-CG 3.28Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.97Å; Q94-D98 PolarHBondContact O-N 3.09Å
95	A	98.4	Very high	98	Very high	16 Å²	16	60.6 Å²	60.6	13%	0.132	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-42.7	176.5	0	0	0	0	0	112.8	F46 Y91 D98 R99	F46-A95 HydrophobicContact CB-CB 3.58Å; F46-A95 HydrophobicContact CD1-CB 3.88Å; F46-A95 HydrophobicContact CD2-CB 4.15Å; F46-A95 HydrophobicContact CG-CB 3.6Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 3.38Å; A95-D98 PolarHBondContact O-N 3.24Å; A95-R99 VanDerWaalsContact O-CB 3.25Å; A95-R99 WeakPolarHBondContact O-CB 3.48Å; A95-R99 PolarHBondContact O-N 3.03Å
96	Q	98	Very high	97.9	Very high	96 Å²	96	58.5 Å²	58.5	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-70	-35.6	174.6	-63.3	-57.9	-36.8	0	0	112.6	K92 Q94 R99 M100	K92-Q96 PolarHBondContact O-N 2.81Å; Q94-Q96 VanDerWaalsContact C-N 3.32Å; Q94-Q96 PolarHBondContact O-N 3.18Å; Q96-R99 VanDerWaalsContact OE1-CD 3.26Å; Q96-M100 WeakPolarHBondContact O-CG 3.44Å; Q96-M100 PolarHBondContact O-N 2.84Å
97	T	98.1	Very high	97.9	Very high	56 Å²	56	55.9 Å²	55.9	34%	0.344	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-47.5	172.7	-62	0	0	0	0	111.2	R93 Q94 M100 N101	R93-T97 WeakPolarHBondContact O-CB 3.5Å; R93-T97 PolarHBondContact O-N 3.06Å; R93-T97 PolarHBondContact O-OG1 2.8Å; Q94-T97 CarbonylContact O-C 3.59Å; Q94-T97 WeakPolarHBondContact O-CA 3.38Å; Q94-T97 VanDerWaalsContact O-CB 3.31Å; Q94-T97 WeakPolarHBondContact O-CB 3.44Å; Q94-T97 PolarHBondContact O-N 2.03Å; T97-M100 CarbonylContact O-C 3.5Å; T97-M100 WeakPolarHBondContact O-CB 3.36Å; T97-M100 PolarHBondContact O-N 3.29Å; T97-M100 VanDerWaalsContact O-N 3.13Å; T97-N101 PolarHBondContact O-N 3.37Å; T97-N101 PolarHBondContact O-ND2 3.13Å
98	D	98.2	Very high	98	Very high	4 Å²	4	58 Å²	58	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-77.1	-30.3	-176.5	-67.8	-29.2	0	0	0	113	A35 Q94 A95 M100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.79Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.38Å; Q94-D98 VanDerWaalsContact NE2-CG 3.28Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.97Å; Q94-D98 PolarHBondContact O-N 3.09Å; A95-D98 PolarHBondContact O-N 3.24Å; D98-M100 VanDerWaalsContact C-N 3.26Å; D98-M100 PolarHBondContact O-N 2.87Å; D98-N101 PolarHBondContact O-N 3.41Å; D98-N101 VanDerWaalsContact O-N 3.13Å; D98-N101 PolarHBondContact OD1-ND2 2.97Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.36Å; D98-L102 PolarHBondContact O-N 2.96Å; D98-L119 HydrophobicContact CB-CD2 4Å
99	R	97.9	Very high	97.9	Very high	69 Å²	69	61 Å²	61	26%	0.26	28%	0.28	S	S	.	.	H	α-helix	trans	-54.2	-41.1	163.1	175.8	-169.5	-177.7	-145.3	1	112.1	E43 P44 A95 Q96 R103	E43-R99 VanDerWaalsContact CD-NH2 3.32Å; E43-R99 IonicContact OE1-CZ 2.76Å; E43-R99 IonicContact OE1-NE 2.64Å; E43-R99 PolarHBondContact OE1-NE 3.24Å; E43-R99 IonicContact OE1-NH2 3.8Å; E43-R99 PolarHBondContact OE1-NH2 2.89Å; E43-R99 IonicContact OE2-CZ 3.11Å; E43-R99 IonicContact OE2-NE 3.17Å; E43-R99 PolarHBondContact OE2-NE 3.17Å; E43-R99 IonicContact OE2-NH2 2.71Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.29Å; A95-R99 VanDerWaalsContact O-CB 3.25Å; A95-R99 WeakPolarHBondContact O-CB 3.48Å; A95-R99 PolarHBondContact O-N 3.03Å; Q96-R99 VanDerWaalsContact OE1-CD 3.26Å; R99-R103 WeakPolarHBondContact O-CG 3.32Å
100	M	97.6	Very high	97.9	Very high	97 Å²	97	63.5 Å²	63.5	48%	0.478	30%	0.297	S	S	.	.	H	α-helix	trans	-73.9	-36.5	174	-69.4	-174	-71.8	0	0	112.5	Q96 T97 D98 R103 K104	Q96-M100 WeakPolarHBondContact O-CG 3.44Å; Q96-M100 PolarHBondContact O-N 2.84Å; T97-M100 CarbonylContact O-C 3.5Å; T97-M100 WeakPolarHBondContact O-CB 3.36Å; T97-M100 PolarHBondContact O-N 3.29Å; T97-M100 VanDerWaalsContact O-N 3.13Å; D98-M100 VanDerWaalsContact C-N 3.26Å; D98-M100 PolarHBondContact O-N 2.87Å; M100-R103 PolarHBondContact O-N 2.99Å; M100-K104 WeakPolarHBondContact O-CG 3.47Å; M100-K104 PolarHBondContact O-N 2.83Å; M100-K104 VanDerWaalsContact O-N 3.14Å
101	N	98.1	Very high	97.9	Very high	33 Å²	33	62.9 Å²	62.9	18%	0.176	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-44.2	179.5	-64.8	-26.1	0	0	0	111.7	T97 D98 R103 K104 L105 L119	T97-N101 PolarHBondContact O-N 3.37Å; T97-N101 PolarHBondContact O-ND2 3.13Å; D98-N101 PolarHBondContact O-N 3.41Å; D98-N101 VanDerWaalsContact O-N 3.13Å; D98-N101 PolarHBondContact OD1-ND2 2.97Å; N101-R103 VanDerWaalsContact C-N 3.26Å; N101-R103 PolarHBondContact O-N 2.99Å; N101-K104 WeakPolarHBondContact O-CB 3.39Å; N101-K104 PolarHBondContact O-N 2.94Å; N101-L105 WeakPolarHBondContact O-CB 3.39Å; N101-L105 VanDerWaalsContact O-CG 3.26Å; N101-L105 WeakPolarHBondContact O-CG 3.26Å; N101-L105 PolarHBondContact O-N 3.32Å; N101-L119 HydrophobicContact CB-CD2 3.54Å
102	L	98.4	Very high	97.7	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-52.2	-43.5	172.8	-75.9	165.8	0	0	0	112.1	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.95Å; P44-L102 HydrophobicContact CB-CD1 3.61Å; P44-L102 HydrophobicContact CG-CD1 3.78Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.36Å; D98-L102 PolarHBondContact O-N 2.96Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.16Å; L102-R106 PolarHBondContact O-N 2.87Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.26Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	96.8	Very high	97.5	Very high	128 Å²	128	69.5 Å²	69.5	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-38.3	176.2	-66.6	174.8	-172.5	-179.3	1.9	112.7	E43 R99 M100 N101 G107	E43-R103 IonicContact OE1-NH2 2.81Å; E43-R103 IonicContact OE2-NH2 3.26Å; E43-R103 PolarHBondContact OE2-NH2 3.43Å; R99-R103 WeakPolarHBondContact O-CG 3.32Å; M100-R103 PolarHBondContact O-N 2.99Å; N101-R103 VanDerWaalsContact C-N 3.26Å; N101-R103 PolarHBondContact O-N 2.99Å; R103-G107 PolarHBondContact O-N 2.63Å
104	K	97.3	Very high	97.2	Very high	104 Å²	104	66.2 Å²	66.2	45%	0.452	34%	0.341	S	S	.	.	H	α-helix	trans	-69.2	-46.2	176.5	-67.7	166.1	-170	164.6	0	112	M100 N101 G107 Y108	M100-K104 WeakPolarHBondContact O-CG 3.47Å; M100-K104 PolarHBondContact O-N 2.83Å; M100-K104 VanDerWaalsContact O-N 3.14Å; N101-K104 WeakPolarHBondContact O-CB 3.39Å; N101-K104 PolarHBondContact O-N 2.94Å; K104-G107 CarbonylContact O-C 3.6Å; K104-G107 WeakPolarHBondContact O-CA 3.34Å; K104-G107 PolarHBondContact O-N 3.4Å; K104-G107 VanDerWaalsContact O-N 3.14Å; K104-Y108 WeakPolarHBondContact O-CD1 3.48Å; K104-Y108 PolarHBondContact O-N 3.24Å
105	L	98.2	Very high	97	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-52.1	-179.1	-69	164.9	0	0	0	110.5	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.39Å; N101-L105 VanDerWaalsContact O-CG 3.26Å; N101-L105 WeakPolarHBondContact O-CG 3.26Å; N101-L105 PolarHBondContact O-N 3.32Å; L105-G107 PolarHBondContact O-N 2.8Å; L105-G107 VanDerWaalsContact O-N 3.13Å; L105-Y108 PolarHBondContact O-N 3.08Å; L105-Y109 HydrophobicContact CD2-CE2 4.41Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 3.44Å; L105-L119 HydrophobicContact CD1-CD1 3.83Å; L105-L119 HydrophobicContact CD1-CD2 4.02Å; L105-L119 HydrophobicContact CD1-CG 4.36Å; L105-Y142 HydrophobicContact CB-CD1 4.24Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.84Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.65Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.47Å; L105-Y147 HydrophobicContact CD2-CD1 4.26Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.69Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 HydrophobicContact CD2-CG 4.46Å
106	R	97.4	Very high	97	Very high	61 Å²	61	68.7 Å²	68.7	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-50.5	-39.1	172.7	-170.3	-163.3	67.3	175.3	8.2	112.3	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.16Å; L102-R106 PolarHBondContact O-N 2.87Å; L102-R106 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 3.39Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.72Å; R106-Q111 WeakPolarHBondContact CG-O 3.2Å; R106-Q111 PolarHBondContact O-N 3.1Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.78Å; R106-E113 PolarHBondContact NH1-OE1 2.86Å; R106-E113 IonicContact NH2-OE1 3.75Å; R106-E113 PolarHBondContact NH2-OE1 2.93Å; R106-Y142 PolarHBondContact N-OH 2.83Å
107	G	97.3	Very high	97	Very high	43 Å²	43	64.9 Å²	64.9	44%	0.443	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-46.8	173.4	0	0	0	0	0	114	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.63Å; K104-G107 CarbonylContact O-C 3.6Å; K104-G107 WeakPolarHBondContact O-CA 3.34Å; K104-G107 PolarHBondContact O-N 3.4Å; K104-G107 VanDerWaalsContact O-N 3.14Å; L105-G107 PolarHBondContact O-N 2.8Å; L105-G107 VanDerWaalsContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.33Å; G107-N110 PolarHBondContact O-N 2.86Å; G107-N110 VanDerWaalsContact O-N 3.16Å
108	Y	97.9	Very high	97.1	Very high	56 Å²	56	64 Å²	64	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-34.7	177.8	-62.6	-15.4	0	0	0	112.7	K104 L105 A163 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.48Å; K104-Y108 PolarHBondContact O-N 3.24Å; L105-Y108 PolarHBondContact O-N 3.08Å; Y108-A163 HydrophobicContact CD2-CB 4.44Å; Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 3.95Å; Y108-I166 HydrophobicContact CE2-CB 4.12Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; Y108-K170 PolarHBondContact OH-NZ 2.9Å
109	Y	98	Very high	97.1	Very high	70 Å²	70	64 Å²	64	28%	0.275	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.8	178	-69.3	-71.1	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.41Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 3.44Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.33Å; Y109-Q111 PolarHBondContact O-N 3.21Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.41Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.49Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.19Å; Y109-D161 PolarHBondContact OH-OD2 3.18Å; Y109-A163 HydrophobicContact CD1-CB 4.23Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.71Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å
110	N	97.1	Very high	97.1	Very high	150 Å²	150	64.3 Å²	64.3	80%	0.802	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	35.2	-177	-52.7	-80.2	0	0	0	113.9	R106 G107	R106-N110 PolarHBondContact O-N 3.39Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.86Å; G107-N110 VanDerWaalsContact O-N 3.16Å
111	Q	97.4	Very high	97.2	Very high	59 Å²	59	60.6 Å²	60.6	28%	0.276	33%	0.326	S	S	.	.			trans	-81.9	151.9	-177.4	-70.8	163.4	-47.9	0	0	112.2	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.72Å; R106-Q111 WeakPolarHBondContact CG-O 3.2Å; R106-Q111 PolarHBondContact O-N 3.1Å; Y109-Q111 PolarHBondContact O-N 3.21Å; Q111-H117 PolarHBondContact NE2-CE1 3.3Å; Q111-H117 PolarHBondContact NE2-ND1 2.94Å; Q111-Y142 PolarHBondContact OE1-OH 3.27Å; Q111-D143 PolarHBondContact NE2-OD2 3.28Å
112	S	95.6	Very high	97.2	Very high	83 Å²	83	60.3 Å²	60.3	58%	0.58	32%	0.324	S	S	*	.			trans	-66.3	146.4	-178.5	179.7	0	0	0	0	113.1	A114 G115	S112-A114 PolarHBondContact O-N 3.31Å; S112-A114 PolarHBondContact OG-N 3.5Å; S112-G115 PolarHBondContact O-N 2.73Å; S112-G115 VanDerWaalsContact O-N 3.08Å
113	E	93	Very high	97.2	Very high	136 Å²	136	61 Å²	61	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.9	174.2	-61.2	-137.4	103.8	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.49Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.18Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.78Å; R106-E113 PolarHBondContact NH1-OE1 2.86Å; R106-E113 IonicContact NH2-OE1 3.75Å; R106-E113 PolarHBondContact NH2-OE1 2.93Å; E113-G115 PolarHBondContact O-N 2.72Å
114	A	93.4	Very high	97.3	Very high	82 Å²	82	54.9 Å²	54.9	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.6	175.9	0	0	0	0	0	113.6	S112	S112-A114 PolarHBondContact O-N 3.31Å; S112-A114 PolarHBondContact OG-N 3.5Å
115	G	94.1	Very high	97.4	Very high	21 Å²	21	50 Å²	50	22%	0.216	28%	0.282	C	S	.	.			trans	-73.6	128.2	179.4	0	0	0	0	0	113.4	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.33Å; P39-G115 WeakPolarHBondContact CG-O 3.28Å; S112-G115 PolarHBondContact O-N 2.73Å; S112-G115 VanDerWaalsContact O-N 3.08Å; E113-G115 PolarHBondContact O-N 2.72Å; G115-H117 PolarHBondContact O-CD2 2.93Å
116	S	97.4	Very high	97.4	Very high	80 Å²	80	50.6 Å²	50.6	56%	0.559	29%	0.285	S	S	*	.			trans	-77.5	126.9	160.4	-177.1	0	0	0	0	108.3	S37	S37-S116 PolarHBondContact O-OG 3.38Å; S37-S116 VanDerWaalsContact O-OG 3.1Å
117	H	98.4	Very high	97.4	Very high	16 Å²	16	47.9 Å²	47.9	7%	0.074	28%	0.275	C	S	.	.			trans	-132.9	147.2	-175	-66.6	-72.8	0	0	0	111	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 CarbonylContact C-O 3.55Å; V36-H117 WeakPolarHBondContact CA-O 3.36Å; S37-H117 PolarHBondContact N-O 3.17Å; S37-H117 PolarHBondContact OG-N 2.81Å; S37-H117 PolarHBondContact OG-O 2.78Å; L102-H117 HydrophobicContact CD2-CB 4.26Å; Q111-H117 PolarHBondContact NE2-CE1 3.3Å; Q111-H117 PolarHBondContact NE2-ND1 2.94Å; G115-H117 PolarHBondContact O-CD2 2.93Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.29Å; H117-Y142 VanDerWaalsContact CG-OH 3.29Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.35Å; H117-D143 IonicContact CG-OD1 2.72Å; H117-D143 IonicContact CG-OD2 3.6Å; H117-D143 IonicContact ND1-OD1 3.32Å; H117-D143 PolarHBondContact ND1-OD1 3.21Å; H117-D143 IonicContact ND1-OD2 3.56Å; H117-D143 PolarHBondContact ND1-OD2 3.07Å
118	T	98.8	Very high	97.2	Very high	36 Å²	36	46.4 Å²	46.4	22%	0.221	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.8	-175.3	-65.9	0	0	0	0	110.4	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.12Å; A35-T118 WeakPolarHBondContact O-CA 3.02Å; V36-T118 HydrophobicContact CG2-CG2 4.35Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 2.99Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; T118-D143 PolarHBondContact N-OD1 3.42Å; T118-D143 PolarHBondContact O-N 2.85Å
119	L	98.9	Very high	96.7	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.9	169.7	174.1	59.4	0	0	0	108.5	A35 D98 N101 L102 L105 F140 Y142	A35-L119 HydrophobicContact CB-CB 4.47Å; A35-L119 PolarHBondContact N-O 3.07Å; A35-L119 PolarHBondContact O-N 3.17Å; D98-L119 HydrophobicContact CB-CD2 4Å; N101-L119 HydrophobicContact CB-CD2 3.54Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L105-L119 HydrophobicContact CD1-CD1 3.83Å; L105-L119 HydrophobicContact CD1-CD2 4.02Å; L105-L119 HydrophobicContact CD1-CG 4.36Å; L119-F140 HydrophobicContact CD1-CD1 4.13Å; L119-Y142 HydrophobicContact CB-CD2 4.46Å
120	Q	98.9	Very high	96.3	Very high	76 Å²	76	49.3 Å²	49.3	36%	0.355	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.4	176.4	-74.2	163.6	-83.4	0	0	110.3	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-F140 CarbonylContact O-C 3.6Å; Q120-F140 VanDerWaalsContact O-CA 3.26Å; Q120-F140 WeakPolarHBondContact O-CA 3.31Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.49Å; Q120-A141 PolarHBondContact O-N 3.02Å
121	R	98.7	Very high	96	Very high	19 Å²	19	43 Å²	43	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.3	172.2	-177	-167.7	-176.5	-176	-3.2	109.7	F32 Y33 Y123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.18Å; Y33-R121 PolarHBondContact N-O 2.87Å; Y33-R121 PolarHBondContact O-N 2.85Å; R121-Y123 HydrophobicContact CG-CD1 4.33Å; R121-N138 PolarHBondContact NE-OD1 3Å; R121-N138 VanDerWaalsContact NE-OD1 3.13Å; R121-N138 PolarHBondContact NH2-OD1 3.13Å; R121-Q139 WeakPolarHBondContact CA-O 2.95Å; R121-F140 HydrophobicContact CB-CD1 3.75Å; R121-F140 HydrophobicContact CB-CE1 3.78Å; R121-F140 HydrophobicContact CB-CG 4.33Å; R121-F140 HydrophobicContact CB-CZ 4.35Å; R121-F140 HydrophobicContact CG-CD1 3.87Å; R121-F140 HydrophobicContact CG-CD2 4.22Å; R121-F140 HydrophobicContact CG-CE1 3.6Å; R121-F140 HydrophobicContact CG-CE2 3.94Å; R121-F140 HydrophobicContact CG-CG 4.19Å; R121-F140 HydrophobicContact CG-CZ 3.65Å
122	M	98.8	Very high	95.8	Very high	27 Å²	27	48.2 Å²	48.2	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.1	163.3	-172	-80	-78.4	0	0	108.6	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.28Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.44Å; F32-M122 VanDerWaalsContact CE1-CG 3.44Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 4.09Å; M122-Y137 HydrophobicContact CE-CD1 3.79Å; M122-Y137 HydrophobicContact CE-CG 4.01Å; M122-Y137 HydrophobicContact SD-CG 4.44Å; M122-N138 WeakPolarHBondContact O-CA 3.28Å; M122-Q139 HydrophobicContact CB-CG 4.2Å; M122-Q139 HydrophobicContact CE-CG 4.37Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 3.34Å; M122-Q139 PolarHBondContact O-N 2.78Å
123	Y	98.8	Very high	95.9	Very high	22 Å²	22	46.6 Å²	46.6	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.8	168.7	74.9	-87.6	0	0	0	110.4	Y31 Y33 R121 Y137 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.37Å; Y31-Y123 AromaticContact CD2-CE2 3.6Å; Y31-Y123 HydrophobicContact CD2-CE2 3.6Å; Y31-Y123 AromaticContact CD2-CZ 3.71Å; Y31-Y123 HydrophobicContact CE2-CE2 4.28Å; Y31-Y123 HydrophobicContact CG-CE1 4.19Å; Y31-Y123 HydrophobicContact CG-CE2 4.07Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 3.37Å; Y31-Y123 PolarHBondContact O-N 2.88Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; Y33-Y123 HydrophobicContact CD2-CE1 4.13Å; Y33-Y123 HydrophobicContact CE1-CE1 4.23Å; Y33-Y123 AromaticContact CE2-CE1 3.54Å; Y33-Y123 HydrophobicContact CE2-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CE1 3.63Å; Y33-Y123 PolarHBondContact OH-OH 2.73Å; R121-Y123 HydrophobicContact CG-CD1 4.33Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.1Å; Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.63Å; Y123-Y183 HydrophobicContact CE2-CE1 3.63Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å
124	G	98.6	Very high	96	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167	179.2	-173	0	0	0	0	0	113.5	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.38Å; G124-Y137 PolarHBondContact N-O 3.4Å; G124-Y137 PolarHBondContact O-N 3.43Å; G124-L184 WeakPolarHBondContact O-CD2 3.37Å
125	C	98.6	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.1	179.6	50.9	0	0	0	0	110.4	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.53Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; M29-C125 PolarHBondContact N-O 2.86Å; M29-C125 PolarHBondContact O-N 3.18Å; C125-L133 HydrophobicContact CB-CD1 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; C125-C188 HydrophobicContact CB-CB 3.83Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 PolarHBondContact SG-O 2.64Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.94Å
126	D	98.1	Very high	96.4	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.5	173.7	-57.8	-2.7	0	0	0	108.6	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; S28-D126 WeakPolarHBondContact CB-OD1 3.3Å; R30-D126 IonicContact CZ-OD1 3.38Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.94Å; R30-D126 IonicContact NE-OD1 3.69Å; R30-D126 PolarHBondContact NE-OD1 2.89Å; R30-D126 IonicContact NH2-OD1 3.53Å; R30-D126 PolarHBondContact NH2-OD1 2.83Å; R30-D126 IonicContact NH2-OD2 3.22Å; R30-D126 PolarHBondContact NH2-OD2 2.62Å; D126-L134 PolarHBondContact O-N 3.45Å; D126-R135 HydrophobicContact CB-CB 4.47Å; D126-R135 PolarHBondContact N-O 2.78Å; D126-R135 PolarHBondContact O-N 3.14Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 PolarHBondContact OD2-OH 2.83Å
127	L	96.9	Very high	96.4	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.8	177	-53.7	-177.3	0	0	0	110.5	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.23Å; S26-L127 WeakPolarHBondContact CB-O 3.4Å; H27-L127 PolarHBondContact N-O 2.9Å; H27-L127 PolarHBondContact O-N 3.14Å; L127-R132 CarbonylContact C-O 3.52Å; L127-R132 WeakPolarHBondContact CA-O 3.4Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.79Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.42Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.2Å; L127-R193 HydrophobicContact CD1-CG 3.92Å
128	G	93.5	Very high	96.4	Very high	11 Å²	11	43.1 Å²	43.1	11%	0.113	22%	0.217	C	C	.	.			trans	-71.7	174.5	164.8	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.89Å; G128-G131 WeakPolarHBondContact O-CA 3.2Å; G128-G131 PolarHBondContact O-N 2.96Å; G128-R132 PolarHBondContact N-O 3.29Å
129	P	89	Confident	96.4	Very high	93 Å²	93	44.3 Å²	44.3	60%	0.604	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-23.4	179.1	-17.8	27.3	0	0	0	114	A24 C25 G131	A24-P129 HydrophobicContact CB-CB 4.46Å; A24-P129 HydrophobicContact CB-CG 3.48Å; A24-P129 VanDerWaalsContact CB-CG 3.48Å; C25-P129 WeakPolarHBondContact O-CA 3.28Å; P129-G131 PolarHBondContact O-N 3.06Å
130	D	89.1	Confident	96.4	Very high	94 Å²	94	44.8 Å²	44.8	50%	0.503	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.7	172.5	77.1	-15.8	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.89Å; D130-R132 PolarHBondContact O-N 2.97Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 WeakPolarHBondContact OD1-CG 3.39Å; D130-R132 PolarHBondContact OD1-N 3.18Å; D130-R132 WeakPolarHBondContact OD2-CD 3.09Å; D130-R132 WeakPolarHBondContact OD2-CG 3.22Å; D130-R132 IonicContact OD2-CZ 2.71Å; D130-R132 VanDerWaalsContact OD2-CZ 3.24Å; D130-R132 IonicContact OD2-NE 3.3Å; D130-R132 PolarHBondContact OD2-NE 3.21Å; D130-R132 IonicContact OD2-NH1 3.86Å; D130-R132 PolarHBondContact OD2-NH1 3.49Å
131	G	89.4	Confident	96.4	Very high	19 Å²	19	42 Å²	42	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	70.5	9	-179.3	0	0	0	0	0	114.5	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.2Å; G128-G131 PolarHBondContact O-N 2.96Å; P129-G131 PolarHBondContact O-N 3.06Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.44Å; G131-R193 PolarHBondContact O-NH2 3.3Å
132	R	94.1	Very high	96.4	Very high	167 Å²	167	41.6 Å²	41.6	63%	0.63	21%	0.211	S	C	*	.	S	Bend	trans	-87.8	157.1	177	-59.8	-175.9	-169.7	146	-5.1	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.52Å; L127-R132 WeakPolarHBondContact CA-O 3.4Å; G128-R132 PolarHBondContact N-O 3.29Å; D130-R132 PolarHBondContact O-N 2.97Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 WeakPolarHBondContact OD1-CG 3.39Å; D130-R132 PolarHBondContact OD1-N 3.18Å; D130-R132 WeakPolarHBondContact OD2-CD 3.09Å; D130-R132 WeakPolarHBondContact OD2-CG 3.22Å; D130-R132 IonicContact OD2-CZ 2.71Å; D130-R132 VanDerWaalsContact OD2-CZ 3.24Å; D130-R132 IonicContact OD2-NE 3.3Å; D130-R132 PolarHBondContact OD2-NE 3.21Å; D130-R132 IonicContact OD2-NH1 3.86Å; D130-R132 PolarHBondContact OD2-NH1 3.49Å; R132-L134 PolarHBondContact O-N 3.5Å; R132-L134 VanDerWaalsContact O-N 3.11Å
133	L	96.8	Very high	96.4	Very high	50 Å²	50	43.2 Å²	43.2	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	115.3	174.5	-175.1	73.7	0	0	0	110.1	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.52Å; L133-R135 VanDerWaalsContact CD1-O 3.29Å; L133-R135 WeakPolarHBondContact CD1-O 3.46Å; L133-L154 HydrophobicContact CD2-CD1 4.08Å; L133-E185 HydrophobicContact CD2-CB 4.49Å; L133-E185 HydrophobicContact CD2-CG 3.78Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å
134	L	96.3	Very high	96.4	Very high	121 Å²	121	45 Å²	45	63%	0.634	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	-44.6	169.6	179.4	63.9	0	0	0	110.2	D126 R132	D126-L134 PolarHBondContact O-N 3.45Å; R132-L134 PolarHBondContact O-N 3.5Å; R132-L134 VanDerWaalsContact O-N 3.11Å
135	R	96.8	Very high	96.4	Very high	89 Å²	89	52.8 Å²	52.8	34%	0.336	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.2	-176.4	-169.4	163.9	170.7	128.1	7.9	112.2	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.44Å; D126-R135 HydrophobicContact CB-CB 4.47Å; D126-R135 PolarHBondContact N-O 2.78Å; D126-R135 PolarHBondContact O-N 3.14Å; L133-R135 VanDerWaalsContact CD1-O 3.29Å; L133-R135 WeakPolarHBondContact CD1-O 3.46Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.48Å; R135-Y137 HydrophobicContact CG-CD2 4.35Å; R135-Y137 HydrophobicContact CG-CE1 4.45Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 PolarHBondContact NE-OH 3.38Å; R135-E152 IonicContact CZ-OE1 3.14Å; R135-E152 IonicContact CZ-OE2 2.67Å; R135-E152 IonicContact NH1-OE1 3.02Å; R135-E152 PolarHBondContact NH1-OE1 2.94Å; R135-E152 IonicContact NH1-OE2 2.82Å; R135-E152 PolarHBondContact NH1-OE2 3.41Å; R135-E152 VanDerWaalsContact NH2-CD 3.29Å; R135-E152 IonicContact NH2-OE1 3.24Å; R135-E152 PolarHBondContact NH2-OE1 2.97Å
136	G	98.1	Very high	96.4	Very high	7 Å²	7	58 Å²	58	7%	0.072	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.3	172.7	0	0	0	0	0	111.7
137	Y	98.4	Very high	96.4	Very high	41 Å²	41	57.4 Å²	57.4	16%	0.161	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.6	-176.3	-60.3	-99.3	0	0	0	111	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 2.87Å; M122-Y137 HydrophobicContact CE-CD1 3.79Å; M122-Y137 HydrophobicContact CE-CG 4.01Å; M122-Y137 HydrophobicContact SD-CG 4.44Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.1Å; G124-Y137 PolarHBondContact N-O 3.4Å; G124-Y137 PolarHBondContact O-N 3.43Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 PolarHBondContact OD2-OH 2.83Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.48Å; R135-Y137 HydrophobicContact CG-CD2 4.35Å; R135-Y137 HydrophobicContact CG-CE1 4.45Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 PolarHBondContact NE-OH 3.38Å
138	N	98.6	Very high	96.5	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	95	164.2	175.5	82.5	0	0	0	109.2	R121 M122 L150 W157	R121-N138 PolarHBondContact NE-OD1 3Å; R121-N138 VanDerWaalsContact NE-OD1 3.13Å; R121-N138 PolarHBondContact NH2-OD1 3.13Å; M122-N138 WeakPolarHBondContact O-CA 3.28Å; N138-L150 HydrophobicContact CB-CB 4.1Å; N138-L150 HydrophobicContact CB-CD2 4.18Å; N138-L150 WeakPolarHBondContact O-CB 3.48Å; N138-L150 PolarHBondContact O-N 3.49Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.2Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.34Å
139	Q	98.7	Very high	96.7	Very high	61 Å²	61	58.2 Å²	58.2	29%	0.285	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152	-175.9	68	-165.3	86.8	0	0	112.1	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 2.95Å; M122-Q139 HydrophobicContact CB-CG 4.2Å; M122-Q139 HydrophobicContact CE-CG 4.37Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 3.34Å; M122-Q139 PolarHBondContact O-N 2.78Å; Q139-I148 CarbonylContact C-O 3.55Å; Q139-I148 WeakPolarHBondContact CA-O 3.3Å; Q139-A149 HydrophobicContact CB-CB 3.83Å
140	F	98.8	Very high	97.2	Very high	15 Å²	15	54.5 Å²	54.5	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.7	-178.9	-67.1	-106	0	0	0	110.4	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.13Å; Q120-F140 CarbonylContact O-C 3.6Å; Q120-F140 VanDerWaalsContact O-CA 3.26Å; Q120-F140 WeakPolarHBondContact O-CA 3.31Å; R121-F140 HydrophobicContact CB-CD1 3.75Å; R121-F140 HydrophobicContact CB-CE1 3.78Å; R121-F140 HydrophobicContact CB-CG 4.33Å; R121-F140 HydrophobicContact CB-CZ 4.35Å; R121-F140 HydrophobicContact CG-CD1 3.87Å; R121-F140 HydrophobicContact CG-CD2 4.22Å; R121-F140 HydrophobicContact CG-CE1 3.6Å; R121-F140 HydrophobicContact CG-CE2 3.94Å; R121-F140 HydrophobicContact CG-CG 4.19Å; R121-F140 HydrophobicContact CG-CZ 3.65Å; F140-Y147 WeakPolarHBondContact O-CB 3.34Å; F140-Y147 PolarHBondContact O-N 2.91Å; F140-I148 HydrophobicContact CB-CG2 4.27Å; F140-I148 HydrophobicContact CD2-CG2 4.21Å; F140-I148 PolarHBondContact N-O 3.31Å; F140-I148 PolarHBondContact O-N 3.09Å; F140-W171 AromaticContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CZ3 4.22Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.47Å; F140-W171 HydrophobicContact CE2-CZ3 4.02Å; F140-W171 AromaticContact CZ-CH2 3.87Å; F140-W171 HydrophobicContact CZ-CH2 3.87Å
141	A	98.9	Very high	97.7	Very high	18 Å²	18	52 Å²	52	15%	0.149	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.9	172.8	0	0	0	0	0	110.3	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.49Å; Q120-A141 PolarHBondContact O-N 3.02Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	57.7 Å²	57.7	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.7	178.5	-173.7	-122.9	0	0	0	110.4	L102 L105 R106 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.24Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.84Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.65Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.47Å; R106-Y142 PolarHBondContact N-OH 2.83Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Q111-Y142 PolarHBondContact OE1-OH 3.27Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.29Å; H117-Y142 VanDerWaalsContact CG-OH 3.29Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 2.99Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; L119-Y142 HydrophobicContact CB-CD2 4.46Å; Y142-G144 PolarHBondContact O-N 3.46Å; Y142-G144 VanDerWaalsContact O-N 3.13Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 3.48Å
143	D	98.4	Very high	98.2	Very high	61 Å²	61	53.3 Å²	53.3	33%	0.326	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	40.5	-174.5	-63.7	-20.4	0	0	0	113.1	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.28Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.35Å; H117-D143 IonicContact CG-OD1 2.72Å; H117-D143 IonicContact CG-OD2 3.6Å; H117-D143 IonicContact ND1-OD1 3.32Å; H117-D143 PolarHBondContact ND1-OD1 3.21Å; H117-D143 IonicContact ND1-OD2 3.56Å; H117-D143 PolarHBondContact ND1-OD2 3.07Å; T118-D143 PolarHBondContact N-OD1 3.42Å; T118-D143 PolarHBondContact O-N 2.85Å
144	G	97.7	Very high	98.3	Very high	60 Å²	60	51.3 Å²	51.3	62%	0.619	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	9.3	178.3	0	0	0	0	0	116	Y142	Y142-G144 PolarHBondContact O-N 3.46Å; Y142-G144 VanDerWaalsContact O-N 3.13Å
145	K	98.6	Very high	98.3	Very high	162 Å²	162	53.2 Å²	53.2	70%	0.704	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.8	179.7	-60.9	177.4	-176.7	177.2	0	111.2	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 3.48Å; K145-Y147 PolarHBondContact O-N 2.87Å
146	D	98.8	Very high	98.4	Very high	111 Å²	111	51 Å²	51	59%	0.594	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	137.9	173.9	-70.9	-56.8	0	0	0	111.6	A160	D146-A160 WeakPolarHBondContact O-CB 3.43Å
147	Y	98.8	Very high	98.4	Very high	8 Å²	8	51.1 Å²	51.1	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-62.7	179.9	179.6	-108.9	0	0	0	110.4	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.26Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.69Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 HydrophobicContact CD2-CG 4.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.41Å; F140-Y147 WeakPolarHBondContact O-CB 3.34Å; F140-Y147 PolarHBondContact O-N 2.91Å; K145-Y147 PolarHBondContact O-N 2.87Å; Y147-A160 WeakPolarHBondContact O-CB 3.26Å; Y147-A160 PolarHBondContact O-N 2.77Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.75Å; Y147-A163 VanDerWaalsContact OH-O 3.04Å; Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.35Å; Y147-A164 WeakPolarHBondContact O-CB 3.28Å; Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 WeakPolarHBondContact OH-CB 3.49Å; Y147-T167 PolarHBondContact OH-OG1 3.37Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	138.2	177.6	-162.2	174.4	0	0	0	111.1	Q139 F140 W157 T158 A159 T167 Q168 W171	Q139-I148 CarbonylContact C-O 3.55Å; Q139-I148 WeakPolarHBondContact CA-O 3.3Å; F140-I148 HydrophobicContact CB-CG2 4.27Å; F140-I148 HydrophobicContact CD2-CG2 4.21Å; F140-I148 PolarHBondContact N-O 3.31Å; F140-I148 PolarHBondContact O-N 3.09Å; I148-W157 HydrophobicContact CD1-CB 4.13Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.39Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; I148-T158 WeakPolarHBondContact CA-O 3.41Å; I148-T158 WeakPolarHBondContact CG1-O 3.4Å; I148-A159 HydrophobicContact CG1-CB 4.45Å; I148-T167 HydrophobicContact CD1-CG2 4.16Å; I148-Q168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.23Å; I148-W171 HydrophobicContact CG2-CE3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.52Å
149	A	98.8	Very high	98.4	Very high	29 Å²	29	54 Å²	54	24%	0.24	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.6	177.7	0	0	0	0	0	111.3	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.83Å; A149-W157 CarbonylContact O-C 3.57Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; A149-T158 PolarHBondContact N-O 3.42Å; A149-T158 PolarHBondContact O-N 2.9Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54 Å²	54	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.7	164.5	-175.2	69.2	0	0	0	108.3	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.1Å; N138-L150 HydrophobicContact CB-CD2 4.18Å; N138-L150 WeakPolarHBondContact O-CB 3.48Å; N138-L150 PolarHBondContact O-N 3.49Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-A177 HydrophobicContact CD1-CB 3.93Å; L150-R180 HydrophobicContact CD2-CB 3.93Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å
151	N	98.6	Very high	98.4	Very high	41 Å²	41	56 Å²	56	22%	0.219	31%	0.312	C	S	.	.			trans	-76.7	166.1	-179.2	-66.1	-21.2	0	0	0	111.7	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.88Å; N151-D153 VanDerWaalsContact O-N 3.14Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 2.96Å; N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 PolarHBondContact N-O 2.97Å; N151-S156 PolarHBondContact ND2-OG 3Å; N151-T158 PolarHBondContact ND2-OG1 2.87Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-N 2.97Å; N151-T158 PolarHBondContact OD1-OG1 3.11Å
152	E	97.4	Very high	98.4	Very high	139 Å²	139	63.7 Å²	63.7	65%	0.65	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.8	-177.1	-59.2	-178.9	-163.6	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.14Å; R135-E152 IonicContact CZ-OE2 2.67Å; R135-E152 IonicContact NH1-OE1 3.02Å; R135-E152 PolarHBondContact NH1-OE1 2.94Å; R135-E152 IonicContact NH1-OE2 2.82Å; R135-E152 PolarHBondContact NH1-OE2 3.41Å; R135-E152 VanDerWaalsContact NH2-CD 3.29Å; R135-E152 IonicContact NH2-OE1 3.24Å; R135-E152 PolarHBondContact NH2-OE1 2.97Å; E152-L154 PolarHBondContact O-N 2.83Å
153	D	97.4	Very high	98.4	Very high	75 Å²	75	63.6 Å²	63.6	40%	0.401	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9	172.2	70.6	-3	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.88Å; N151-D153 VanDerWaalsContact O-N 3.14Å; D153-R155 HydrophobicContact CB-CB 4.48Å; D153-R155 WeakPolarHBondContact O-CD 3.47Å; D153-R155 VanDerWaalsContact O-CG 3.28Å; D153-R155 WeakPolarHBondContact O-CG 3.22Å; D153-R155 PolarHBondContact O-N 3.43Å; D153-R155 PolarHBondContact OD1-N 2.95Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.13Å; D153-S156 PolarHBondContact OD1-OG 3.09Å; D153-S156 WeakPolarHBondContact OD2-CB 3.31Å; D153-S156 PolarHBondContact OD2-N 3.47Å; D153-S156 PolarHBondContact OD2-OG 3.43Å
154	L	98.1	Very high	98.4	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.042	33%	0.328	C	S	.	.	S	Bend	trans	52.4	28	-172.5	-53.8	-178.4	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.08Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 2.96Å; E152-L154 PolarHBondContact O-N 2.83Å; L154-R181 HydrophobicContact CB-CB 3.99Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-R181 WeakPolarHBondContact O-CD 3.39Å; L154-L184 HydrophobicContact CD1-CB 4.46Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.18Å
155	R	97.8	Very high	98.4	Very high	162 Å²	162	61.3 Å²	61.3	61%	0.611	32%	0.315	S	S	*	.	S	Bend	trans	-134.4	-37.4	-172.8	-69.7	159.4	-176.1	-95.7	6.6	113.1	D153 A177	D153-R155 HydrophobicContact CB-CB 4.48Å; D153-R155 WeakPolarHBondContact O-CD 3.47Å; D153-R155 VanDerWaalsContact O-CG 3.28Å; D153-R155 WeakPolarHBondContact O-CG 3.22Å; D153-R155 PolarHBondContact O-N 3.43Å; D153-R155 PolarHBondContact OD1-N 2.95Å; R155-A177 WeakPolarHBondContact O-CB 3.32Å
156	S	98.1	Very high	98.4	Very high	42 Å²	42	56.4 Å²	56.4	29%	0.294	30%	0.295	S	S	.	.			trans	-108.7	165.7	-179	62.4	0	0	0	0	112.1	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 PolarHBondContact N-O 2.97Å; N151-S156 PolarHBondContact ND2-OG 3Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.13Å; D153-S156 PolarHBondContact OD1-OG 3.09Å; D153-S156 WeakPolarHBondContact OD2-CB 3.31Å; D153-S156 PolarHBondContact OD2-N 3.47Å; D153-S156 PolarHBondContact OD2-OG 3.43Å
157	W	98.8	Very high	98.4	Very high	10 Å²	10	51.9 Å²	51.9	4%	0.038	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.6	-178.3	-59.2	91.4	0	0	0	111	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.2Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.34Å; I148-W157 HydrophobicContact CD1-CB 4.13Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.39Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; A149-W157 CarbonylContact O-C 3.57Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; W157-Q168 HydrophobicContact CB-CG 4.25Å; W157-Q168 PolarHBondContact O-NE2 3.35Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.94Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.98Å; W157-W171 HydrophobicContact CE3-CZ3 3.98Å; W157-W171 HydrophobicContact CH2-CD2 4.47Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CZ2-CB 4.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CZ3 4.33Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 AromaticContact CZ3-CZ3 3.44Å; W157-W171 HydrophobicContact CZ3-CZ3 3.44Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.44Å; W157-E176 HydrophobicContact CZ2-CB 4.08Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; W157-R180 HydrophobicContact CH2-CG 4.16Å
158	T	98.8	Very high	98.4	Very high	82 Å²	82	53.4 Å²	53.4	50%	0.503	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.6	165.3	-65.3	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.41Å; I148-T158 WeakPolarHBondContact CG1-O 3.4Å; A149-T158 PolarHBondContact N-O 3.42Å; A149-T158 PolarHBondContact O-N 2.9Å; N151-T158 PolarHBondContact ND2-OG1 2.87Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-N 2.97Å; N151-T158 PolarHBondContact OD1-OG1 3.11Å
159	A	98.7	Very high	98.4	Very high	21 Å²	21	60.5 Å²	60.5	17%	0.174	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.1	177.1	0	0	0	0	0	110.3	I148 D161 A164 Q165 Q168	I148-A159 HydrophobicContact CG1-CB 4.45Å; A159-D161 PolarHBondContact O-N 3.05Å; A159-A164 HydrophobicContact CB-CB 3.66Å; A159-Q165 HydrophobicContact CB-CG 4.08Å; A159-Q168 HydrophobicContact CB-CB 4.3Å; A159-Q168 VanDerWaalsContact CB-OE1 3.25Å
160	A	98.6	Very high	98.3	Very high	63 Å²	63	64.5 Å²	64.5	52%	0.521	32%	0.318	S	S	.	.	S	Bend	trans	-70.4	-30.4	-174.3	0	0	0	0	0	113.8	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 WeakPolarHBondContact O-CB 3.26Å; Y147-A160 PolarHBondContact O-N 2.77Å
161	D	98.4	Very high	98.3	Very high	56 Å²	56	66.2 Å²	66.2	30%	0.299	32%	0.323	S	S	.	.	S	Bend	trans	-150.3	-174.1	-177.5	71.4	30.2	0	0	0	114.4	Y109 A159 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.49Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.19Å; Y109-D161 PolarHBondContact OH-OD2 3.18Å; A159-D161 PolarHBondContact O-N 3.05Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.61Å; D161-A163 WeakPolarHBondContact OD1-CA 3.31Å; D161-A163 WeakPolarHBondContact OD1-CB 3.13Å; D161-A163 PolarHBondContact OD1-N 3.12Å; D161-A164 PolarHBondContact O-N 2.82Å; D161-A164 PolarHBondContact OD1-N 2.8Å; D161-Q165 WeakPolarHBondContact O-CG 3.43Å; D161-Q165 PolarHBondContact O-N 3.43Å
162	K	98.3	Very high	98.3	Very high	180 Å²	180	68.4 Å²	68.4	78%	0.783	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27	-180	-67.1	-179.8	179.8	176.2	0	114.3
163	A	98.1	Very high	98.4	Very high	9 Å²	9	66 Å²	66	7%	0.074	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-38.3	174.7	0	0	0	0	0	110.9	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CD1-CB 4.23Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.71Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.75Å; Y147-A163 VanDerWaalsContact OH-O 3.04Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.61Å; D161-A163 WeakPolarHBondContact OD1-CA 3.31Å; D161-A163 WeakPolarHBondContact OD1-CB 3.13Å; D161-A163 PolarHBondContact OD1-N 3.12Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.32Å; A163-I166 VanDerWaalsContact O-CB 3.32Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 2.84Å; A163-I166 VanDerWaalsContact O-N 3.07Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.4	-38.3	171.2	0	0	0	0	0	112.5	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.35Å; Y147-A164 WeakPolarHBondContact O-CB 3.28Å; A159-A164 HydrophobicContact CB-CB 3.66Å; D161-A164 PolarHBondContact O-N 2.82Å; D161-A164 PolarHBondContact OD1-N 2.8Å; A164-I166 PolarHBondContact O-N 3.26Å; A164-I166 VanDerWaalsContact O-N 3.15Å; A164-T167 WeakPolarHBondContact O-CA 3.26Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 3.47Å; A164-Q168 PolarHBondContact O-N 3.23Å
165	Q	98.7	Very high	98.4	Very high	73 Å²	73	72.5 Å²	72.5	34%	0.341	37%	0.367	S	S	.	.	H	α-helix	trans	-58.6	-24.8	172.5	-73.6	175.7	15.4	0	0	113.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.08Å; D161-Q165 WeakPolarHBondContact O-CG 3.43Å; D161-Q165 PolarHBondContact O-N 3.43Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 2.94Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.09Å
166	I	98.4	Very high	98.4	Very high	59 Å²	59	66.6 Å²	66.6	30%	0.303	35%	0.346	S	S	.	.	H	α-helix	trans	-72.3	-35.4	174.2	-53.4	172.5	0	0	0	110.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 3.95Å; Y108-I166 HydrophobicContact CE2-CB 4.12Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; A163-I166 VanDerWaalsContact O-CB 3.32Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 2.84Å; A163-I166 VanDerWaalsContact O-N 3.07Å; A164-I166 PolarHBondContact O-N 3.26Å; A164-I166 VanDerWaalsContact O-N 3.15Å; I166-K170 WeakPolarHBondContact O-CD 3.33Å; I166-K170 VanDerWaalsContact O-CG 3.27Å; I166-K170 WeakPolarHBondContact O-CG 3.26Å
167	T	98.4	Very high	98.4	Very high	16 Å²	16	65 Å²	65	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-73.4	-45.6	173.2	-68.8	0	0	0	0	110.9	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 WeakPolarHBondContact OH-CB 3.49Å; Y147-T167 PolarHBondContact OH-OG1 3.37Å; I148-T167 HydrophobicContact CD1-CG2 4.16Å; A164-T167 WeakPolarHBondContact O-CA 3.26Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 3.47Å; T167-R169 PolarHBondContact O-N 3.13Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 3.16Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.6Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 3.94Å; T167-W171 HydrophobicContact CG2-CG 4.1Å; T167-W171 HydrophobicContact CG2-CH2 4.03Å; T167-W171 HydrophobicContact CG2-CZ2 3.72Å; T167-W171 HydrophobicContact CG2-CZ3 4.15Å; T167-W171 PolarHBondContact O-N 3.14Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	69.7 Å²	69.7	19%	0.187	36%	0.358	C	S	.	.	H	α-helix	trans	-49.2	-58	176.9	175.8	172.1	9.3	0	0	112	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.87Å; W157-Q168 HydrophobicContact CB-CG 4.25Å; W157-Q168 PolarHBondContact O-NE2 3.35Å; A159-Q168 HydrophobicContact CB-CB 4.3Å; A159-Q168 VanDerWaalsContact CB-OE1 3.25Å; A164-Q168 PolarHBondContact O-N 3.23Å; Q168-K170 PolarHBondContact O-N 3.44Å; Q168-K170 VanDerWaalsContact O-N 3.15Å; Q168-W171 PolarHBondContact O-N 2.87Å; Q168-E172 VanDerWaalsContact CG-CD 3.4Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 2.96Å; Q168-E172 WeakPolarHBondContact O-CB 3.32Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.96Å
169	R	98.6	Very high	98.3	Very high	151 Å²	151	71.3 Å²	71.3	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-59.1	-32	-178.6	-66.3	169.9	-164.5	147.2	12.1	113.1	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 2.94Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.09Å; T167-R169 PolarHBondContact O-N 3.13Å; R169-A173 VanDerWaalsContact O-CB 3.27Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-N 3.13Å
170	K	98.2	Very high	98.3	Very high	114 Å²	114	73.5 Å²	73.5	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-74.1	-38.9	176.5	-69.9	172.9	-174.1	-179.8	0	111.7	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.9Å; I166-K170 WeakPolarHBondContact O-CD 3.33Å; I166-K170 VanDerWaalsContact O-CG 3.27Å; I166-K170 WeakPolarHBondContact O-CG 3.26Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 3.16Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 PolarHBondContact O-N 3.44Å; Q168-K170 VanDerWaalsContact O-N 3.15Å; K170-A174 WeakPolarHBondContact O-CB 3.32Å; K170-A174 PolarHBondContact O-N 3.09Å
171	W	98.3	Very high	98.2	Very high	49 Å²	49	74.2 Å²	74.2	19%	0.186	35%	0.353	C	S	.	.	H	α-helix	trans	-74.8	-33.6	178.3	-75.8	2.5	0	0	0	113	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CZ3 4.22Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.47Å; F140-W171 HydrophobicContact CE2-CZ3 4.02Å; F140-W171 AromaticContact CZ-CH2 3.87Å; F140-W171 HydrophobicContact CZ-CH2 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.23Å; I148-W171 HydrophobicContact CG2-CE3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.52Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.94Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.98Å; W157-W171 HydrophobicContact CE3-CZ3 3.98Å; W157-W171 HydrophobicContact CH2-CD2 4.47Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CZ2-CB 4.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CZ3 4.33Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 AromaticContact CZ3-CZ3 3.44Å; W157-W171 HydrophobicContact CZ3-CZ3 3.44Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.44Å; T167-W171 HydrophobicContact CG2-CD2 3.6Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 3.94Å; T167-W171 HydrophobicContact CG2-CG 4.1Å; T167-W171 HydrophobicContact CG2-CH2 4.03Å; T167-W171 HydrophobicContact CG2-CZ2 3.72Å; T167-W171 HydrophobicContact CG2-CZ3 4.15Å; T167-W171 PolarHBondContact O-N 3.14Å; Q168-W171 PolarHBondContact O-N 2.87Å; W171-A174 CarbonylContact O-C 3.58Å; W171-R175 PolarHBondContact O-N 3.22Å; W171-E176 HydrophobicContact CB-CB 3.88Å; W171-E176 HydrophobicContact CB-CG 4.06Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.05Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.73Å
172	E	98.5	Very high	98.2	Very high	88 Å²	88	74.6 Å²	74.6	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-50.2	170	-70.6	165.4	165.3	0	0	110.8	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.4Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 2.96Å; Q168-E172 WeakPolarHBondContact O-CB 3.32Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.96Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.19Å; E172-R175 PolarHBondContact O-N 2.67Å
173	A	98.4	Very high	98.2	Very high	89 Å²	89	68.6 Å²	68.6	74%	0.736	34%	0.337	S	S	*	.	H	α-helix	trans	-61.6	-32.9	176.1	0	0	0	0	0	113.3	R169	R169-A173 VanDerWaalsContact O-CB 3.27Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-N 3.13Å
174	A	98.1	Very high	98.3	Very high	58 Å²	58	68.3 Å²	68.3	48%	0.479	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.3	175.7	0	0	0	0	0	114.4	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.32Å; K170-A174 PolarHBondContact O-N 3.09Å; W171-A174 CarbonylContact O-C 3.58Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.19Å; A174-E176 HydrophobicContact CB-CG 4.28Å; A174-E176 PolarHBondContact O-N 3.32Å
175	R	97.8	Very high	98.2	Very high	160 Å²	160	72.2 Å²	72.2	60%	0.604	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	33.6	-176.2	-62.7	171.8	173.2	-119.6	9	114.4	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.22Å; E172-R175 PolarHBondContact O-N 2.67Å; R175-A177 PolarHBondContact O-N 3.08Å; R175-A177 VanDerWaalsContact O-N 3.12Å; R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 WeakPolarHBondContact CD-OE1 3.39Å; R175-E178 IonicContact CZ-OE1 3.88Å; R175-E178 IonicContact NE-OE1 3.7Å; R175-E178 IonicContact NH1-OE1 3.64Å; R175-E178 PolarHBondContact NH1-OE1 3.26Å; R175-E178 IonicContact NH1-OE2 2.77Å; R175-E178 WeakPolarHBondContact O-CB 3.3Å; R175-E178 PolarHBondContact O-N 2.82Å
176	E	97.7	Very high	98.2	Very high	38 Å²	38	69.9 Å²	69.9	18%	0.178	35%	0.348	C	S	.	.	H	α-helix	trans	-53.6	-36.2	-178.8	-84.2	-86.1	171.1	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.08Å; W171-E176 HydrophobicContact CB-CB 3.88Å; W171-E176 HydrophobicContact CB-CG 4.06Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.05Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.73Å; A174-E176 HydrophobicContact CB-CG 4.28Å; A174-E176 PolarHBondContact O-N 3.32Å; E176-E178 VanDerWaalsContact C-N 3.28Å; E176-E178 PolarHBondContact O-N 2.86Å; E176-Q179 PolarHBondContact O-N 2.85Å; E176-Q179 VanDerWaalsContact O-N 3.1Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.8Å; E176-R180 IonicContact OE1-NH2 3.27Å; E176-R180 IonicContact OE2-CZ 2.77Å; E176-R180 VanDerWaalsContact OE2-CZ 3.3Å; E176-R180 IonicContact OE2-NE 2.62Å; E176-R180 PolarHBondContact OE2-NE 3Å; E176-R180 VanDerWaalsContact OE2-NE 3.14Å; E176-R180 IonicContact OE2-NH2 3.16Å; E176-R180 PolarHBondContact OE2-NH2 3.14Å
177	A	98.3	Very high	98.2	Very high	9 Å²	9	69.4 Å²	69.4	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-37.6	177	0	0	0	0	0	112.9	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.93Å; R155-A177 WeakPolarHBondContact O-CB 3.32Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; R175-A177 PolarHBondContact O-N 3.08Å; R175-A177 VanDerWaalsContact O-N 3.12Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.07Å; A177-R180 PolarHBondContact O-N 3.02Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 3.27Å
178	E	98.1	Very high	98.2	Very high	108 Å²	108	68.7 Å²	68.7	51%	0.505	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-40.7	176.8	-61.8	177.4	-172.9	0	0	111.1	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 WeakPolarHBondContact CD-OE1 3.39Å; R175-E178 IonicContact CZ-OE1 3.88Å; R175-E178 IonicContact NE-OE1 3.7Å; R175-E178 IonicContact NH1-OE1 3.64Å; R175-E178 PolarHBondContact NH1-OE1 3.26Å; R175-E178 IonicContact NH1-OE2 2.77Å; R175-E178 WeakPolarHBondContact O-CB 3.3Å; R175-E178 PolarHBondContact O-N 2.82Å; E176-E178 VanDerWaalsContact C-N 3.28Å; E176-E178 PolarHBondContact O-N 2.86Å; E178-A182 WeakPolarHBondContact O-CB 3.45Å; E178-A182 PolarHBondContact O-N 2.93Å
179	Q	97.1	Very high	98.2	Very high	116 Å²	116	67.1 Å²	67.1	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-70.8	-40.2	176.9	-58.7	-174.2	21.6	0	0	112.5	E176 A177 Y183	E176-Q179 PolarHBondContact O-N 2.85Å; E176-Q179 VanDerWaalsContact O-N 3.1Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.07Å; Q179-Y183 PolarHBondContact O-N 3.17Å; Q179-Y183 VanDerWaalsContact O-N 3.17Å
180	R	98.1	Very high	98.1	Very high	68 Å²	68	65.6 Å²	65.6	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-44.8	175.9	-57.1	-56	151.6	-155.6	-3.8	110.5	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 3.93Å; W157-R180 HydrophobicContact CH2-CG 4.16Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.8Å; E176-R180 IonicContact OE1-NH2 3.27Å; E176-R180 IonicContact OE2-CZ 2.77Å; E176-R180 VanDerWaalsContact OE2-CZ 3.3Å; E176-R180 IonicContact OE2-NE 2.62Å; E176-R180 PolarHBondContact OE2-NE 3Å; E176-R180 VanDerWaalsContact OE2-NE 3.14Å; E176-R180 IonicContact OE2-NH2 3.16Å; E176-R180 PolarHBondContact OE2-NH2 3.14Å; A177-R180 PolarHBondContact O-N 3.02Å; R180-Y183 PolarHBondContact O-N 3.48Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 WeakPolarHBondContact O-CG 3.49Å; R180-L184 PolarHBondContact O-N 2.94Å
181	R	98.4	Very high	98.1	Very high	77 Å²	77	62.4 Å²	62.4	29%	0.291	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-47.3	176.2	-173.7	169.6	177.5	-105.8	-18.4	112.2	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 3.99Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-R181 WeakPolarHBondContact O-CD 3.39Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 3.27Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.13Å; R181-L184 PolarHBondContact O-N 3.23Å; R181-L184 VanDerWaalsContact O-N 3.12Å; R181-E185 VanDerWaalsContact CG-CD 3.47Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 WeakPolarHBondContact CG-OE2 3.39Å; R181-E185 IonicContact CZ-OE1 2.71Å; R181-E185 IonicContact CZ-OE2 2.98Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.81Å; R181-E185 PolarHBondContact NE-OE1 3.41Å; R181-E185 IonicContact NE-OE2 3.4Å; R181-E185 PolarHBondContact NE-OE2 2.82Å; R181-E185 IonicContact NH1-OE2 3.09Å; R181-E185 VanDerWaalsContact NH2-CD 3.25Å; R181-E185 IonicContact NH2-OE1 2.72Å; R181-E185 PolarHBondContact NH2-OE1 2.74Å; R181-E185 IonicContact NH2-OE2 3.9Å; R181-E185 PolarHBondContact NH2-OE2 2.86Å; R181-E185 WeakPolarHBondContact O-CB 3.2Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 3.34Å
182	A	98.4	Very high	98.1	Very high	64 Å²	64	60.1 Å²	60.1	53%	0.529	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-39.1	176.9	0	0	0	0	0	113.1	E178 G186	E178-A182 WeakPolarHBondContact O-CB 3.45Å; E178-A182 PolarHBondContact O-N 2.93Å; A182-G186 PolarHBondContact O-N 3.46Å
183	Y	98.3	Very high	98.1	Very high	55 Å²	55	61.9 Å²	61.9	22%	0.216	32%	0.315	C	S	.	.	I	π-helix	trans	-67.2	-42.7	172.7	172.7	-96.4	0	0	0	112.4	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.63Å; Y123-Y183 HydrophobicContact CE2-CE1 3.63Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å; Q179-Y183 PolarHBondContact O-N 3.17Å; Q179-Y183 VanDerWaalsContact O-N 3.17Å; R180-Y183 PolarHBondContact O-N 3.48Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.13Å; Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.71Å; Y183-T187 PolarHBondContact O-N 3.37Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.92Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 2.88Å
184	L	98.6	Very high	98	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	30%	0.301	C	S	.	.	I	π-helix	trans	-73.4	-38.5	-175.1	-70.8	170.7	0	0	0	113.2	G124 L150 L154 R180 R181 C188	G124-L184 WeakPolarHBondContact O-CD2 3.37Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å; L154-L184 HydrophobicContact CD1-CB 4.46Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 WeakPolarHBondContact O-CG 3.49Å; R180-L184 PolarHBondContact O-N 2.94Å; R181-L184 PolarHBondContact O-N 3.23Å; R181-L184 VanDerWaalsContact O-N 3.12Å; L184-C188 HydrophobicContact CD2-CB 4.49Å
185	E	98.1	Very high	98	Very high	83 Å²	83	60.7 Å²	60.7	39%	0.388	28%	0.279	S	S	.	.	I	π-helix	trans	-80.3	-29.8	178.7	-67	-179.2	158.9	0	0	113.2	L133 L154 R181 V189	L133-E185 HydrophobicContact CD2-CB 4.49Å; L133-E185 HydrophobicContact CD2-CG 3.78Å; L154-E185 HydrophobicContact CD1-CG 4.18Å; R181-E185 VanDerWaalsContact CG-CD 3.47Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 WeakPolarHBondContact CG-OE2 3.39Å; R181-E185 IonicContact CZ-OE1 2.71Å; R181-E185 IonicContact CZ-OE2 2.98Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.81Å; R181-E185 PolarHBondContact NE-OE1 3.41Å; R181-E185 IonicContact NE-OE2 3.4Å; R181-E185 PolarHBondContact NE-OE2 2.82Å; R181-E185 IonicContact NH1-OE2 3.09Å; R181-E185 VanDerWaalsContact NH2-CD 3.25Å; R181-E185 IonicContact NH2-OE1 2.72Å; R181-E185 PolarHBondContact NH2-OE1 2.74Å; R181-E185 IonicContact NH2-OE2 3.9Å; R181-E185 PolarHBondContact NH2-OE2 2.86Å; R181-E185 WeakPolarHBondContact O-CB 3.2Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 3.34Å; E185-V189 WeakPolarHBondContact O-CG2 3.47Å
186	G	98	Very high	97.9	Very high	24 Å²	24	53.6 Å²	53.6	25%	0.247	25%	0.253	C	S	.	.	I	π-helix	trans	-102.4	-92.3	177.9	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.46Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 3.14Å; G186-C188 VanDerWaalsContact O-N 3.09Å; G186-V189 WeakPolarHBondContact O-CB 3.27Å; G186-V189 PolarHBondContact O-N 3.35Å; G186-E190 WeakPolarHBondContact O-CG 3.42Å; G186-E190 PolarHBondContact O-N 3.5Å
187	T	98	Very high	97.8	Very high	49 Å²	49	57.1 Å²	57.1	30%	0.301	27%	0.27	S	S	.	.	I	π-helix	trans	-52.8	-37.6	-168.7	-53.6	0	0	0	0	114.4	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.71Å; Y183-T187 PolarHBondContact O-N 3.37Å; T187-E190 WeakPolarHBondContact CA-OE2 3.36Å; T187-E190 PolarHBondContact O-N 3.34Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 3.39Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-47.3	178.6	-166.3	0	0	0	0	111.4	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.45Å; M29-C188 WeakPolarHBondContact CE-SG 3.36Å; C125-C188 HydrophobicContact CB-CB 3.83Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 PolarHBondContact SG-O 2.64Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.94Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.92Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 2.88Å; L184-C188 HydrophobicContact CD2-CB 4.49Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 3.14Å; G186-C188 VanDerWaalsContact O-N 3.09Å; C188-E190 PolarHBondContact O-N 2.87Å; C188-W191 PolarHBondContact O-N 3.28Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.48Å; C188-L192 PolarHBondContact O-N 2.73Å
189	V	98.3	Very high	97.6	Very high	8 Å²	8	54 Å²	54	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-44.2	175.7	179	0	0	0	0	111.3	L127 L133 E185 G186 R193	L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å; E185-V189 WeakPolarHBondContact O-CG2 3.47Å; G186-V189 WeakPolarHBondContact O-CB 3.27Å; G186-V189 PolarHBondContact O-N 3.35Å; V189-R193 VanDerWaalsContact CG1-CZ 3.49Å; V189-R193 WeakPolarHBondContact O-CB 3.47Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 2.95Å
190	E	98.1	Very high	97.5	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	25%	0.248	S	C	*	.	H	α-helix	trans	-61.1	-48.9	179.7	-68.3	170.8	157.8	0	0	112.4	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.42Å; G186-E190 PolarHBondContact O-N 3.5Å; T187-E190 WeakPolarHBondContact CA-OE2 3.36Å; T187-E190 PolarHBondContact O-N 3.34Å; C188-E190 PolarHBondContact O-N 2.87Å; E190-R194 PolarHBondContact O-N 3.19Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	98.1	Very high	97.1	Very high	47 Å²	47	58.8 Å²	58.8	18%	0.178	28%	0.276	C	S	.	.	H	α-helix	trans	-71.9	-37.3	-179	-79.7	90.3	0	0	0	112.5	M29 Y83 T187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.17Å; Y83-W191 HydrophobicContact CD2-CE3 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.44Å; Y83-W191 AromaticContact CD2-CZ3 3.61Å; Y83-W191 HydrophobicContact CD2-CZ3 3.61Å; Y83-W191 HydrophobicContact CE2-CE3 4.06Å; Y83-W191 HydrophobicContact CE2-CH2 4.06Å; Y83-W191 AromaticContact CE2-CZ3 3.62Å; Y83-W191 HydrophobicContact CE2-CZ3 3.62Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 3.39Å; C188-W191 PolarHBondContact O-N 3.28Å; W191-R194 PolarHBondContact O-N 2.89Å; W191-Y195 HydrophobicContact CB-CE2 4.25Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 AromaticContact CE3-CZ 3.62Å; W191-Y195 HydrophobicContact CZ3-CE1 4.03Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.37Å; W191-Y195 PolarHBondContact O-N 3.06Å
192	L	98.3	Very high	96.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-46.4	174.1	174.3	50.3	0	0	0	111.6	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.49Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.24Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.79Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.42Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.2Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.48Å; C188-L192 PolarHBondContact O-N 2.73Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.12Å; L192-Y195 PolarHBondContact O-N 3.01Å; L192-L196 HydrophobicContact CD1-CD1 3.72Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.85Å
193	R	97.1	Very high	96.5	Very high	126 Å²	126	54.6 Å²	54.6	48%	0.475	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-41.9	173.5	-72.1	172.5	-178.5	172.6	0.5	112.6	L127 G131 V189 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.92Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.44Å; G131-R193 PolarHBondContact O-NH2 3.3Å; V189-R193 VanDerWaalsContact CG1-CZ 3.49Å; V189-R193 WeakPolarHBondContact O-CB 3.47Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 2.95Å; R193-L196 PolarHBondContact O-N 2.74Å; R193-E197 PolarHBondContact O-N 2.79Å; R193-E197 VanDerWaalsContact O-N 3.15Å
194	R	97.1	Very high	96.1	Very high	119 Å²	119	56.3 Å²	56.3	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-46.7	175.5	179.5	179.4	174.2	104.8	-7.2	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 2.73Å; E79-R194 IonicContact OE1-NE 3.49Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 3.46Å; E79-R194 PolarHBondContact OE1-NH2 2.85Å; E79-R194 VanDerWaalsContact OE1-NH2 3.15Å; E79-R194 IonicContact OE2-CZ 2.78Å; E79-R194 IonicContact OE2-NE 3.85Å; E79-R194 PolarHBondContact OE2-NE 2.66Å; E79-R194 IonicContact OE2-NH2 2.67Å; E79-R194 PolarHBondContact OE2-NH2 2.93Å; E190-R194 PolarHBondContact O-N 3.19Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 PolarHBondContact O-N 2.89Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.06Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.18Å; R194-N198 PolarHBondContact O-OD1 3.35Å
195	Y	97.5	Very high	95.7	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-38.4	177.7	-62.9	-26.1	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.83Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.71Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE1-CE2 4.26Å; F57-Y195 HydrophobicContact CE2-CD2 4.43Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.8Å; F57-Y195 HydrophobicContact CZ-CD2 4.25Å; F57-Y195 AromaticContact CZ-CE2 3.56Å; F57-Y195 HydrophobicContact CZ-CE2 3.56Å; W75-Y195 HydrophobicContact CE3-CD1 4.36Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.39Å; W75-Y195 HydrophobicContact CH2-CG 4.07Å; W75-Y195 AromaticContact CZ3-CD1 3.65Å; W75-Y195 HydrophobicContact CZ3-CD1 3.65Å; W75-Y195 HydrophobicContact CZ3-CD2 4.21Å; W75-Y195 HydrophobicContact CZ3-CE1 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; V76-Y195 HydrophobicContact CG2-CE1 4.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 2.96Å; W191-Y195 HydrophobicContact CB-CE2 4.25Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 AromaticContact CE3-CZ 3.62Å; W191-Y195 HydrophobicContact CZ3-CE1 4.03Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.37Å; W191-Y195 PolarHBondContact O-N 3.06Å; L192-Y195 PolarHBondContact O-N 3.01Å; Y195-E197 PolarHBondContact O-N 2.88Å; Y195-N198 PolarHBondContact O-N 2.93Å; Y195-G199 WeakPolarHBondContact O-CA 3.5Å; Y195-G199 PolarHBondContact O-N 3.03Å; Y195-L203 WeakPolarHBondContact O-CD1 3.42Å
196	L	96.1	Very high	95.4	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-37.1	176.3	-74	167.8	0	0	0	112.8	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.41Å; V52-L196 HydrophobicContact CG1-CD2 4.13Å; L192-L196 HydrophobicContact CD1-CD1 3.72Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 2.74Å; L196-K200 WeakPolarHBondContact O-CA 2.92Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 2.75Å; L196-K200 VanDerWaalsContact O-N 3.09Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.26Å; L196-Q204 PolarHBondContact O-NE2 3.14Å
197	E	95.9	Very high	95.2	Very high	112 Å²	112	59.3 Å²	59.3	52%	0.523	27%	0.273	S	S	.	.	H	α-helix	trans	-77	-42.3	174	-165.1	62.5	-152.3	0	0	111.9	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.79Å; R193-E197 VanDerWaalsContact O-N 3.15Å; R194-E197 PolarHBondContact O-N 3.06Å; Y195-E197 PolarHBondContact O-N 2.88Å; E197-G199 VanDerWaalsContact C-N 3.34Å; E197-G199 PolarHBondContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.3Å; E197-K200 PolarHBondContact O-N 2.9Å; E197-K200 WeakPolarHBondContact OE1-CD 3.18Å; E197-K200 IonicContact OE1-NZ 3.13Å; E197-K200 PolarHBondContact OE1-NZ 3.24Å; E197-K200 IonicContact OE2-NZ 3.64Å; E197-K200 PolarHBondContact OE2-NZ 3.07Å
198	N	96.8	Very high	95.1	Very high	49 Å²	49	62 Å²	62	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-57.1	-46.7	174.4	-71.6	3.3	0	0	0	111.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.41Å; Q78-N198 PolarHBondContact NE2-ND2 2.77Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.18Å; Q78-N198 PolarHBondContact NE2-OD1 2.82Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å; E79-N198 VanDerWaalsContact OE1-ND2 3.15Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.18Å; R194-N198 PolarHBondContact O-OD1 3.35Å; Y195-N198 PolarHBondContact O-N 2.93Å
199	G	95.6	Very high	95	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	13.2	-174.1	0	0	0	0	0	114.5	W75 Y195 E197 K201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.46Å; Y195-G199 WeakPolarHBondContact O-CA 3.5Å; Y195-G199 PolarHBondContact O-N 3.03Å; E197-G199 VanDerWaalsContact C-N 3.34Å; E197-G199 PolarHBondContact O-N 3.14Å; G199-K201 VanDerWaalsContact C-N 3.29Å; G199-K201 PolarHBondContact O-N 3.47Å; G199-K201 VanDerWaalsContact O-N 3.07Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.44Å; G199-T202 PolarHBondContact O-N 3.09Å; G199-L203 PolarHBondContact O-N 2.77Å
200	K	93.6	Very high	95	Very high	88 Å²	88	68.8 Å²	68.8	38%	0.383	31%	0.312	S	S	.	.	H	α-helix	trans	-45	-45.7	-169.8	-165.2	165.9	-160.8	149.8	0	115	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 2.92Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 2.75Å; L196-K200 VanDerWaalsContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.3Å; E197-K200 PolarHBondContact O-N 2.9Å; E197-K200 WeakPolarHBondContact OE1-CD 3.18Å; E197-K200 IonicContact OE1-NZ 3.13Å; E197-K200 PolarHBondContact OE1-NZ 3.24Å; E197-K200 IonicContact OE2-NZ 3.64Å; E197-K200 PolarHBondContact OE2-NZ 3.07Å; K200-T202 PolarHBondContact O-N 3.42Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 WeakPolarHBondContact O-CA 3.33Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 3.4Å
201	K	91.5	Very high	95	Very high	196 Å²	196	64.8 Å²	64.8	85%	0.852	30%	0.296	S	S	*	.	H	α-helix	trans	-67.3	-12.3	179.6	-61.7	-177.4	-178.8	178	0	114.7	G199	G199-K201 VanDerWaalsContact C-N 3.29Å; G199-K201 PolarHBondContact O-N 3.47Å; G199-K201 VanDerWaalsContact O-N 3.07Å
202	T	90.8	Very high	94.9	Very high	50 Å²	50	66.3 Å²	66.3	31%	0.307	31%	0.305	S	S	.	.	H	α-helix	trans	-119.5	-33.3	-174.6	-52.9	0	0	0	0	112.2	G199 K200 R205	G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.44Å; G199-T202 PolarHBondContact O-N 3.09Å; K200-T202 PolarHBondContact O-N 3.42Å; T202-R205 WeakPolarHBondContact O-CD 3.46Å; T202-R205 WeakPolarHBondContact O-CG 3.42Å; T202-R205 PolarHBondContact O-NE 2.98Å
203	L	91.8	Very high	94.9	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-94.4	-38.1	-177.9	-59.8	173.6	0	0	0	112.5	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.21Å; V52-L203 HydrophobicContact CG1-CD1 3.84Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.78Å; W75-L203 HydrophobicContact CZ2-CD2 3.99Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.42Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.26Å; G199-L203 PolarHBondContact O-N 2.77Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.18Å
204	Q	89.7	Confident	94.9	Very high	90 Å²	90	63.1 Å²	63.1	42%	0.421	30%	0.299	S	S	.	.	S	Bend	trans	-97.4	39.7	176.5	-59.5	172.8	20.5	0	0	110.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.14Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 WeakPolarHBondContact O-CA 3.33Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 3.4Å
205	R	90.7	Very high	94.8	Very high	74 Å²	74	60.1 Å²	60.1	28%	0.279	29%	0.29	S	S	.	.			trans	-113.4	146.4	169.5	73.9	-173.2	167.4	150.5	14.5	108.1	T202 L203 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.46Å; T202-R205 WeakPolarHBondContact O-CG 3.42Å; T202-R205 PolarHBondContact O-NE 2.98Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.18Å; R205-E207 IonicContact CZ-OE1 3.5Å; R205-E207 IonicContact NE-OE1 3.55Å; R205-E207 IonicContact NH1-OE1 2.73Å; R205-E207 PolarHBondContact NH1-OE1 3Å; R205-E207 IonicContact NH2-OE1 3.47Å; R205-Y233 HydrophobicContact CG-CD1 4.09Å; R205-Y233 HydrophobicContact CG-CE1 4.47Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å
206	A	92.1	Very high	94.6	Very high	38 Å²	38	64 Å²	64	31%	0.314	31%	0.308	S	S	.	.			trans	-117.4	128.8	161.4	0	0	0	0	0	108.5	Y233 G289	A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 VanDerWaalsContact CA-O 3.28Å; A206-Y233 WeakPolarHBondContact CA-O 3.41Å; A206-G289 VanDerWaalsContact CB-CA 3.49Å
207	E	94.3	Very high	94.5	Very high	60 Å²	60	68.1 Å²	68.1	28%	0.28	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-105.5	119.2	175.3	-68.5	-169.8	-144.5	0	0	108.8	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.5Å; R205-E207 IonicContact NE-OE1 3.55Å; R205-E207 IonicContact NH1-OE1 2.73Å; R205-E207 PolarHBondContact NH1-OE1 3Å; R205-E207 IonicContact NH2-OE1 3.47Å; E207-F232 WeakPolarHBondContact O-CA 3.27Å; E207-F232 VanDerWaalsContact O-CB 3.26Å; E207-F232 WeakPolarHBondContact O-CB 3.2Å; E207-Y233 PolarHBondContact N-O 2.77Å; E207-Y233 PolarHBondContact O-N 2.86Å; E207-H287 PolarHBondContact O-CE1 3.08Å
208	H	95.1	Very high	94.3	Very high	105 Å²	105	67.2 Å²	67.2	49%	0.486	34%	0.337	S	S	.	.			trans	-66.3	141.7	-175.8	-46.3	-95.4	0	0	0	112.1	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.45Å; H208-G289 PolarHBondContact CE1-O 2.91Å; H208-G289 PolarHBondContact ND1-O 3.28Å; H208-L290 HydrophobicContact CB-CD2 4.12Å
209	P	97.4	Very high	94.1	Very high	7 Å²	7	67.4 Å²	67.4	5%	0.045	34%	0.343	C	S	.	.			trans	-65.3	128.2	174.8	27.4	-35.5	0	0	0	111.9	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.92Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.4Å; P209-T211 VanDerWaalsContact O-N 3.13Å; P209-A229 HydrophobicContact CB-CB 3.79Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.21Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.17Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.05Å; P209-L290 HydrophobicContact CG-CD1 3.95Å; P209-L290 HydrophobicContact CG-CD2 4.28Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	97.8	Very high	93.8	Very high	145 Å²	145	74.5 Å²	74.5	63%	0.63	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	94.9	168.2	-65.2	158.8	-172.3	151.2	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 3.45Å; K210-L230 WeakPolarHBondContact CB-O 3.48Å; K210-L230 PolarHBondContact N-O 3.04Å; K210-L230 PolarHBondContact O-N 2.89Å
211	T	97.6	Very high	93.7	Very high	34 Å²	34	77.2 Å²	77.2	21%	0.209	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	143	-171.4	56.4	0	0	0	0	114.1	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.92Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.4Å; P209-T211 VanDerWaalsContact O-N 3.13Å; T211-W228 WeakPolarHBondContact CA-O 3.24Å; T211-A229 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; T211-L294 HydrophobicContact CG2-CD1 4.24Å; T211-L296 HydrophobicContact CG2-CD1 4.11Å
212	H	96.6	Very high	93.9	Very high	80 Å²	80	72.5 Å²	72.5	37%	0.37	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.8	170.1	64.5	-70.6	0	0	0	111.6	W228	H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.94Å; H212-W228 AromaticContact NE2-CD1 3.58Å; H212-W228 AromaticContact NE2-CG 3.9Å; H212-W228 PolarHBondContact O-N 3.14Å
213	V	97.8	Very high	94.1	Very high	26 Å²	26	70.2 Å²	70.2	16%	0.158	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.4	174.8	-178	0	0	0	0	109.7	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.47Å; V213-C227 HydrophobicContact CG2-CB 4.35Å; V213-W241 HydrophobicContact CG1-CH2 3.83Å; V213-W241 HydrophobicContact CG1-CZ2 4.27Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.95Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.5	Very high	94.4	Very high	33 Å²	33	71.1 Å²	71.1	20%	0.202	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.6	176	52.4	0	0	0	0	110.1	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.32Å; T214-L225 CarbonylContact O-C 3.59Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; T214-R226 PolarHBondContact N-O 2.76Å; T214-R226 PolarHBondContact O-N 2.71Å; T214-R226 PolarHBondContact OG1-O 3.01Å; T214-W228 PolarHBondContact OG1-NE1 3.32Å
215	H	95.4	Very high	94.8	Very high	56 Å²	56	66.8 Å²	66.8	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.4	-176.1	164.9	-80.2	0	0	0	109.7	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.35Å; H215-A223 WeakPolarHBondContact NE2-CB 3Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; H215-W298 HydrophobicContact CB-CD2 4.21Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 AromaticContact CD2-CE2 3.8Å; H215-W298 AromaticContact CD2-CH2 3.96Å; H215-W298 AromaticContact CD2-CZ2 3.7Å; H215-W298 AromaticContact CG-CE2 3.68Å; H215-W298 AromaticContact CG-CZ2 3.69Å; H215-W298 AromaticContact CG-NE1 3.84Å; H215-W298 AromaticContact ND1-CZ2 3.96Å; H215-W298 AromaticContact NE2-CH2 3.99Å
216	H	94.3	Very high	95.1	Very high	82 Å²	82	65.5 Å²	65.5	38%	0.38	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.7	-177.7	-51.9	79.9	0	0	0	108.6	T214 V218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 3.32Å; H216-V218 PolarHBondContact O-N 3.26Å; H216-A223 CarbonylContact O-C 3.38Å; H216-A223 WeakPolarHBondContact O-CA 3.47Å; H216-T224 PolarHBondContact N-O 3.22Å; H216-T224 PolarHBondContact O-N 2.93Å
217	P	93.5	Very high	95.4	Very high	100 Å²	100	63.7 Å²	63.7	65%	0.649	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	135.2	171.7	-20.8	31.5	0	0	0	110.6
218	V	91.6	Very high	95.6	Very high	92 Å²	92	63.3 Å²	63.3	56%	0.558	32%	0.323	S	S	*	.			trans	-109.4	-39.8	175.9	-177.9	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.26Å; V218-E222 PolarHBondContact N-O 2.95Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å
219	S	92.2	Very high	95.7	Very high	54 Å²	54	58.3 Å²	58.3	38%	0.378	30%	0.3	S	S	.	.	S	Bend	trans	-147.1	-179	171.5	71.2	0	0	0	0	110.1	H221 E222	S219-H221 PolarHBondContact O-N 2.95Å; S219-H221 PolarHBondContact OG-N 3.15Å; S219-H221 VanDerWaalsContact OG-N 3.12Å; S219-E222 PolarHBondContact N-O 2.66Å; S219-E222 VanDerWaalsContact O-O 3.14Å; S219-E222 PolarHBondContact OG-N 3.18Å; S219-E222 VanDerWaalsContact OG-N 3.14Å
220	D	89.4	Confident	95.8	Very high	150 Å²	150	60.6 Å²	60.6	80%	0.802	31%	0.311	S	S	*	.	S	Bend	trans	-62.3	-18.8	170.4	-62.4	-36.5	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.42Å; D220-S275 PolarHBondContact O-OG 2.88Å
221	H	92.6	Very high	95.8	Very high	146 Å²	146	54.3 Å²	54.3	68%	0.676	29%	0.287	S	S	*	.	S	Bend	trans	-107.1	-15.4	-174.8	-55.7	-33.6	0	0	0	114.2	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.95Å; S219-H221 PolarHBondContact OG-N 3.15Å; S219-H221 VanDerWaalsContact OG-N 3.12Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 WeakPolarHBondContact CA-OG 3.47Å; H221-S275 PolarHBondContact O-N 3.04Å; H221-S275 PolarHBondContact O-OG 3.07Å
222	E	94.9	Very high	95.7	Very high	96 Å²	96	52.7 Å²	52.7	45%	0.449	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142.5	-171.6	-65.5	-179.5	159.1	0	0	112.9	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.95Å; S219-E222 PolarHBondContact N-O 2.66Å; S219-E222 VanDerWaalsContact O-O 3.14Å; S219-E222 PolarHBondContact OG-N 3.18Å; S219-E222 VanDerWaalsContact OG-N 3.14Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.32Å; E222-S275 PolarHBondContact N-OG 2.75Å
223	A	95.3	Very high	95.7	Very high	2 Å²	2	49 Å²	49	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154	171.4	0	0	0	0	0	111.4	H215 H216 V273	H215-A223 VanDerWaalsContact NE2-CB 3.35Å; H215-A223 WeakPolarHBondContact NE2-CB 3Å; H216-A223 CarbonylContact O-C 3.38Å; H216-A223 WeakPolarHBondContact O-CA 3.47Å; A223-V273 PolarHBondContact N-O 3.45Å; A223-V273 PolarHBondContact O-N 3.25Å
224	T	97.2	Very high	95.5	Very high	23 Å²	23	48.7 Å²	48.7	14%	0.141	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.3	169.9	-51	0	0	0	0	110.2	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.22Å; H216-T224 PolarHBondContact O-N 2.93Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.41Å
225	L	97.7	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.4	164	-62.7	-174.6	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.47Å; T214-L225 CarbonylContact O-C 3.59Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.71Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.12Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.37Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.44Å; L225-V271 PolarHBondContact O-N 3.28Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 4.14Å; L225-V273 HydrophobicContact CG-CG1 4.08Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.92Å
226	R	98.1	Very high	95.5	Very high	46 Å²	46	52 Å²	52	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.1	174.4	179.7	177.7	-68.8	105.1	5.4	110.3	T214 W228 E253 W268 A269 A270	T214-R226 PolarHBondContact N-O 2.76Å; T214-R226 PolarHBondContact O-N 2.71Å; T214-R226 PolarHBondContact OG1-O 3.01Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-E253 IonicContact NH2-OE2 2.73Å; R226-E253 PolarHBondContact NH2-OE2 3.42Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4Å; R226-W268 HydrophobicContact CG-CE3 3.76Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-W268 HydrophobicContact CG-CZ3 4.48Å; R226-W268 VanDerWaalsContact NE-CE3 3.28Å; R226-A269 WeakPolarHBondContact CA-O 3.47Å; R226-A270 HydrophobicContact CB-CB 3.87Å; R226-A270 HydrophobicContact CG-CB 4.04Å
227	C	98.2	Very high	95.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.8	174.6	-175.1	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.35Å; C227-W241 HydrophobicContact CB-CH2 4.4Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 WeakPolarHBondContact O-CB 3.32Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 2.88Å; C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.43Å; C227-C283 WeakPolarHBondContact SG-CB 3.01Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.91Å
228	W	98.3	Very high	95.8	Very high	52 Å²	52	46.4 Å²	46.4	20%	0.197	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	-179.9	-66.4	87.8	0	0	0	111.1	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.24Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.94Å; H212-W228 AromaticContact NE2-CD1 3.58Å; H212-W228 AromaticContact NE2-CG 3.9Å; H212-W228 PolarHBondContact O-N 3.14Å; T214-W228 PolarHBondContact OG1-NE1 3.32Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.37Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.65Å; W228-W268 HydrophobicContact CE3-CG 4.04Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.37Å; W228-W268 AromaticContact CH2-NE1 3.96Å; W228-W268 HydrophobicContact CZ3-CB 4.4Å; W228-W268 AromaticContact CZ3-CD1 3.3Å; W228-W268 HydrophobicContact CZ3-CG 4.06Å; W228-W268 AromaticContact CZ3-NE1 3.93Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.5	159.9	0	0	0	0	0	108.1	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.79Å; T211-A229 HydrophobicContact CG2-CB 4.36Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.73Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.26Å; A229-Q266 WeakPolarHBondContact O-CA 3.12Å; A229-K267 PolarHBondContact N-O 2.67Å; A229-K267 PolarHBondContact O-N 3.08Å
230	L	98.2	Very high	96.3	Very high	56 Å²	56	41.7 Å²	41.7	29%	0.293	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.2	-175.3	-60.9	176.8	0	0	0	111.2	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.48Å; K210-L230 PolarHBondContact N-O 3.04Å; K210-L230 PolarHBondContact O-N 2.89Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å
231	G	97.3	Very high	96.8	Very high	12 Å²	12	34.6 Å²	34.6	12%	0.124	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	42.1	168.8	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.28Å; G231-F265 PolarHBondContact N-O 3.3Å
232	F	97.1	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	158.8	179.1	58.5	-91.6	0	0	0	113.2	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.27Å; E207-F232 VanDerWaalsContact O-CB 3.26Å; E207-F232 WeakPolarHBondContact O-CB 3.2Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.21Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.73Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.41Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE2-CB 3.86Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.24Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; F232-T257 HydrophobicContact CE2-CG2 4Å; F232-T257 HydrophobicContact CZ-CG2 3.87Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.29Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; F232-F265 WeakPolarHBondContact CD1-O 3.44Å; F232-F265 HydrophobicContact CD2-CB 3.87Å; F232-F265 HydrophobicContact CE1-CB 4.37Å; F232-F265 WeakPolarHBondContact CE1-O 3.5Å; F232-F265 HydrophobicContact CE2-CB 3.45Å; F232-F265 VanDerWaalsContact CE2-CB 3.45Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.71Å; F232-F265 PolarHBondContact N-O 3.44Å; F232-F265 PolarHBondContact O-N 2.9Å; F232-K267 HydrophobicContact CE1-CB 4.44Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.81Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.6	Very high	97.1	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.016	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-154.1	137.2	174.4	179.3	-82.1	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.06Å; T55-Y233 PolarHBondContact OG1-OH 2.95Å; R205-Y233 HydrophobicContact CG-CD1 4.09Å; R205-Y233 HydrophobicContact CG-CE1 4.47Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å; A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 VanDerWaalsContact CA-O 3.28Å; A206-Y233 WeakPolarHBondContact CA-O 3.41Å; E207-Y233 PolarHBondContact N-O 2.77Å; E207-Y233 PolarHBondContact O-N 2.86Å; Y233-G263 WeakPolarHBondContact CD2-O 3.33Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.09Å; Y233-H287 PolarHBondContact O-CE1 2.91Å
234	P	94.9	Very high	97.1	Very high	18 Å²	18	33.1 Å²	33.1	12%	0.117	17%	0.168	C	C	.	.	S	Bend	cis	-68.7	179.9	-0.7	30.3	-36.9	0	0	0	113	D54 F232 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; P234-H287 PolarHBondContact O-NE2 3.13Å; P234-E288 HydrophobicContact CG-CB 4.36Å; P234-E288 WeakPolarHBondContact CG-OE2 3.33Å
235	A	96.1	Very high	96.8	Very high	13 Å²	13	34.2 Å²	34.2	11%	0.107	18%	0.184	C	C	.	.	S	Bend	trans	-74.7	-21.6	-175.5	0	0	0	0	0	114.3	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.39Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 WeakPolarHBondContact OD1-CB 3.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 3.04Å; A235-I237 PolarHBondContact O-N 2.81Å; A235-T257 HydrophobicContact CB-CG2 4.33Å; A235-T257 WeakPolarHBondContact O-CG2 3.42Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.83Å; A235-F265 HydrophobicContact CB-CE2 3.78Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.86Å
236	E	95.4	Very high	96.7	Very high	146 Å²	146	41.3 Å²	41.3	68%	0.682	22%	0.217	S	C	*	.			trans	-67.1	119.1	-179.6	-171	52.9	-131.8	0	0	110.5	H287	E236-H287 PolarHBondContact O-CD2 2.9Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å
237	I	96.4	Very high	96.5	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.046	23%	0.232	C	C	.	.			trans	-156.7	132.2	-174.2	-165.2	169.9	0	0	0	111.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.17Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.41Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE2-CB 3.86Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.24Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; A235-I237 PolarHBondContact O-N 2.81Å; I237-L239 HydrophobicContact CD1-CD1 3.75Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.3Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; I237-V285 HydrophobicContact CD1-CG1 4.08Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 WeakPolarHBondContact CG1-O 3.13Å; I237-H287 HydrophobicContact CD1-CB 4.09Å; I237-H287 HydrophobicContact CG1-CB 3.97Å
238	T	97.1	Very high	96.4	Very high	56 Å²	56	44.8 Å²	44.8	34%	0.344	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.1	175.6	-60.2	0	0	0	0	109.8	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T238-V285 WeakPolarHBondContact O-CA 2.97Å; T238-Q286 PolarHBondContact N-O 2.87Å; T238-Q286 PolarHBondContact O-N 3.13Å
239	L	97.8	Very high	95.9	Very high	7 Å²	7	47 Å²	47	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.5	169.2	-90.3	62.8	0	0	0	108	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.26Å; I237-L239 HydrophobicContact CD1-CD1 3.75Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.3Å; L239-L254 HydrophobicContact CB-CD1 4.08Å; L239-K267 HydrophobicContact CD1-CD 4.36Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L239-A269 HydrophobicContact CB-CB 4.11Å; L239-A269 HydrophobicContact CD2-CB 4.37Å; L239-H284 WeakPolarHBondContact CA-O 3.38Å; L239-V285 HydrophobicContact CD1-CG1 3.99Å; L239-V285 HydrophobicContact CD1-CG2 4.36Å; L239-V285 HydrophobicContact CG-CG2 4.25Å
240	T	97.5	Very high	95.4	Very high	39 Å²	39	56.1 Å²	56.1	24%	0.239	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.2	172.5	59	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T240-C283 CarbonylContact O-C 3.48Å; T240-C283 WeakPolarHBondContact O-CA 3Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.82Å
241	W	98.1	Very high	94.9	Very high	1 Å²	1	59 Å²	59	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.3	166.3	-82.6	108	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.83Å; V213-W241 HydrophobicContact CG1-CZ2 4.27Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.71Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.12Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; C227-W241 HydrophobicContact CB-CH2 4.4Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 3.48Å; W241-A269 PolarHBondContact NE1-O 2.87Å; W241-V271 HydrophobicContact CB-CB 4.5Å; W241-V271 HydrophobicContact CB-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.57Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.1Å; W241-V271 HydrophobicContact CG-CG1 3.68Å; W241-V271 HydrophobicContact CZ2-CG1 4.28Å; W241-T282 CarbonylContact C-O 3.58Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.07Å; W241-C283 HydrophobicContact CE3-CB 3.97Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.9Å
242	Q	97.6	Very high	94.8	Very high	42 Å²	42	59.6 Å²	59.6	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.5	170	-72.3	-175.5	-6.3	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D247 PolarHBondContact NE2-OD1 3.35Å; Q242-Y281 CarbonylContact O-C 3.5Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; Q242-T282 PolarHBondContact N-O 2.92Å; Q242-T282 PolarHBondContact O-N 3.48Å; Q242-H284 PolarHBondContact OE1-NE2 3.16Å
243	R	97	Very high	94.7	Very high	70 Å²	70	64.8 Å²	64.8	26%	0.264	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.3	168.9	-174.1	-171.8	-171.4	179.4	3.2	107.9	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.01Å; R243-E246 PolarHBondContact N-O 3.03Å; R243-E246 PolarHBondContact O-N 2.75Å; R243-Q248 VanDerWaalsContact CB-CD 3.47Å; R243-Q248 HydrophobicContact CB-CG 3.91Å; R243-E277 IonicContact CZ-OE2 3.08Å; R243-E277 IonicContact NE-OE2 3.79Å; R243-E277 IonicContact NH2-OE1 2.67Å; R243-E277 PolarHBondContact NH2-OE1 3.19Å; R243-E277 IonicContact NH2-OE2 3.36Å; R243-E277 PolarHBondContact NH2-OE2 3.3Å; R243-R280 WeakPolarHBondContact CA-O 3.19Å; R243-R280 HydrophobicContact CG-CB 4.3Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.87Å; R243-Y281 WeakPolarHBondContact CD-OH 3.42Å; R243-Y281 HydrophobicContact CG-CD1 4.35Å; R243-Y281 HydrophobicContact CG-CD2 4.43Å; R243-Y281 HydrophobicContact CG-CE1 3.97Å; R243-Y281 HydrophobicContact CG-CE2 4.04Å; R243-Y281 PolarHBondContact NE-OH 3.42Å
244	D	94.6	Very high	94.8	Very high	102 Å²	102	68.9 Å²	68.9	55%	0.545	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	16.7	-174.5	-53.3	-54.6	0	0	0	115.6	R280	D244-R280 PolarHBondContact N-O 3.05Å; D244-R280 WeakPolarHBondContact OD1-CB 3.14Å; D244-R280 IonicContact OD1-NE 3.69Å; D244-R280 IonicContact OD2-CZ 3.57Å; D244-R280 IonicContact OD2-NE 3.54Å; D244-R280 PolarHBondContact OD2-NE 3.17Å; D244-R280 IonicContact OD2-NH2 3.53Å; D244-R280 PolarHBondContact OD2-NH2 3.22Å
245	G	91	Very high	94.9	Very high	46 Å²	46	69.7 Å²	69.7	47%	0.474	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.3	-4.9	-176.6	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.01Å
246	E	95.4	Very high	94.9	Very high	148 Å²	148	77.4 Å²	77.4	69%	0.692	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	126.4	177.3	-61.8	-172.9	162.5	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 3.03Å; R243-E246 PolarHBondContact O-N 2.75Å; E246-Q248 PolarHBondContact O-N 2.03Å; E246-Q248 PolarHBondContact O-NE2 2.75Å
247	D	95.2	Very high	95	Very high	93 Å²	93	72.7 Å²	72.7	50%	0.497	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	127.6	-178.6	-68.7	-40.7	0	0	0	112.6	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D247 PolarHBondContact NE2-OD1 3.35Å; D247-T249 VanDerWaalsContact C-N 3.33Å; D247-T249 PolarHBondContact O-N 3.18Å
248	Q	95	Very high	95.1	Very high	26 Å²	26	77.1 Å²	77.1	12%	0.121	40%	0.399	C	S	.	.			trans	-96	38	-176	-53.7	-63.7	-89.4	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 3.48Å; R243-Q248 VanDerWaalsContact CB-CD 3.47Å; R243-Q248 HydrophobicContact CB-CG 3.91Å; E246-Q248 PolarHBondContact O-N 2.03Å; E246-Q248 PolarHBondContact O-NE2 2.75Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.88Å; Q248-D251 PolarHBondContact O-N 2.85Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.35Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.92Å; Q248-Y281 HydrophobicContact CG-CE1 4.3Å
249	T	88.6	Confident	95.1	Very high	100 Å²	100	78.6 Å²	78.6	61%	0.613	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27	-165.3	-51	0	0	0	0	114.6	D247	D247-T249 VanDerWaalsContact C-N 3.33Å; D247-T249 PolarHBondContact O-N 3.18Å
250	Q	88.4	Confident	95	Very high	191 Å²	191	80.7 Å²	80.7	89%	0.893	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-32.8	178	-62.9	-172.6	17.4	0	0	112.5	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.88Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	86.8	Confident	94.8	Very high	116 Å²	116	82.5 Å²	82.5	62%	0.62	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	4.7	-178	-49.4	-78.9	0	0	0	112.9	Q248	Q248-D251 PolarHBondContact O-N 2.85Å
252	T	94.7	Very high	94.5	Very high	25 Å²	25	88 Å²	88	15%	0.153	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.2	179.9	-63.7	0	0	0	0	111.9	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.35Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.92Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 2.88Å; T252-L254 VanDerWaalsContact O-N 3.14Å; T252-A269 HydrophobicContact CG2-CB 3.84Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å
253	E	96.7	Very high	94.2	Very high	109 Å²	109	88 Å²	88	51%	0.509	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	97.7	163.5	-175.7	-171.3	-155.5	0	0	109.2	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 2.73Å; R226-E253 PolarHBondContact NH2-OE2 3.42Å; E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.77Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.36Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.47Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; E253-A270 HydrophobicContact CB-CB 4.32Å; E253-A270 PolarHBondContact N-O 3.23Å; E253-A270 PolarHBondContact O-N 2.88Å
254	L	96.7	Very high	94.2	Very high	90 Å²	90	85 Å²	85	47%	0.471	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.1	177.2	-175.2	71.6	0	0	0	110.4	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.08Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 2.88Å; T252-L254 VanDerWaalsContact O-N 3.14Å; L254-A269 HydrophobicContact CD1-CB 3.73Å
255	V	96.8	Very high	94.3	Very high	35 Å²	35	81.4 Å²	81.4	21%	0.212	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-84.6	153.6	175.4	-63.6	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.09Å; V255-K267 WeakPolarHBondContact O-CG 3.37Å; V255-K267 PolarHBondContact O-NZ 3.21Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.75Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.16Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 3.22Å
256	E	96.8	Very high	94.7	Very high	175 Å²	175	81.2 Å²	81.2	82%	0.818	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-54.4	147.3	165.7	-66.6	-175.2	164.2	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.18Å
257	T	97.8	Very high	94.8	Very high	46 Å²	46	75.1 Å²	75.1	28%	0.282	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-71.5	126.2	174.7	-54.3	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4Å; F232-T257 HydrophobicContact CZ-CG2 3.87Å; A235-T257 HydrophobicContact CB-CG2 4.33Å; A235-T257 WeakPolarHBondContact O-CG2 3.42Å; T257-F265 HydrophobicContact CG2-CB 3.87Å; T257-F265 HydrophobicContact CG2-CD1 4.08Å; T257-F265 HydrophobicContact CG2-CG 4.27Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 2.92Å
258	R	97.2	Very high	95	Very high	102 Å²	102	71.9 Å²	71.9	39%	0.385	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.1	-174.7	70.4	-165	-175.8	-172.4	3.4	111.2	E256 Q266	E256-R258 PolarHBondContact O-N 3.18Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.27Å; R258-Q266 WeakPolarHBondContact O-CG 3.46Å; R258-Q266 PolarHBondContact O-N 3.42Å
259	P	97	Very high	95.1	Very high	88 Å²	88	70.7 Å²	70.7	57%	0.571	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	152.8	176.5	27.9	-34.7	0	0	0	111.6	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.37Å; P259-F265 HydrophobicContact CB-CE1 4.09Å; P259-Q266 PolarHBondContact O-NE2 3.31Å
260	A	96.3	Very high	95.6	Very high	51 Å²	51	66 Å²	66	42%	0.421	37%	0.368	S	S	.	.			trans	-92.2	-20.2	169.6	0	0	0	0	0	112.9	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 2.98Å; A260-T264 WeakPolarHBondContact CB-O 3.31Å; A260-T264 PolarHBondContact N-O 2.98Å; A260-Q266 HydrophobicContact CB-CG 4.44Å
261	G	92.6	Very high	96	Very high	77 Å²	77	57 Å²	57	79%	0.794	33%	0.327	S	S	*	.	S	Bend	trans	99.3	-9.6	178	0	0	0	0	0	115
262	D	92.4	Very high	96.5	Very high	117 Å²	117	55.1 Å²	55.1	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	-97.3	5.3	174.6	58.8	3	0	0	0	113.4	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 2.98Å; D262-T264 WeakPolarHBondContact OD1-CB 3.38Å; D262-T264 PolarHBondContact OD1-N 3.36Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å; D262-T264 PolarHBondContact OD2-OG1 3.45Å
263	G	91.2	Very high	96.6	Very high	41 Å²	41	54 Å²	54	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	92.1	2.3	-171.8	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.33Å
264	T	96.4	Very high	96.5	Very high	8 Å²	8	51 Å²	51	5%	0.049	30%	0.302	C	S	.	.			trans	-106.6	172.3	171.8	74.9	0	0	0	0	112.3	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.28Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.29Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.31Å; A260-T264 PolarHBondContact N-O 2.98Å; D262-T264 WeakPolarHBondContact OD1-CB 3.38Å; D262-T264 PolarHBondContact OD1-N 3.36Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å; D262-T264 PolarHBondContact OD2-OG1 3.45Å
265	F	98	Very high	96.3	Very high	26 Å²	26	49.4 Å²	49.4	11%	0.114	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	163.7	-176.1	-66.3	-84.3	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.44Å; F232-F265 HydrophobicContact CD2-CB 3.87Å; F232-F265 HydrophobicContact CE1-CB 4.37Å; F232-F265 WeakPolarHBondContact CE1-O 3.5Å; F232-F265 HydrophobicContact CE2-CB 3.45Å; F232-F265 VanDerWaalsContact CE2-CB 3.45Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.71Å; F232-F265 PolarHBondContact N-O 3.44Å; F232-F265 PolarHBondContact O-N 2.9Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.09Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.83Å; A235-F265 HydrophobicContact CB-CE2 3.78Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.86Å; T257-F265 HydrophobicContact CG2-CB 3.87Å; T257-F265 HydrophobicContact CG2-CD1 4.08Å; T257-F265 HydrophobicContact CG2-CG 4.27Å; P259-F265 HydrophobicContact CB-CD1 4.37Å; P259-F265 HydrophobicContact CB-CE1 4.09Å
266	Q	98.2	Very high	96	Very high	42 Å²	42	50.9 Å²	50.9	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.2	178.1	38.4	161.8	-25.7	0	0	110.2	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.12Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.27Å; R258-Q266 WeakPolarHBondContact O-CG 3.46Å; R258-Q266 PolarHBondContact O-N 3.42Å; P259-Q266 PolarHBondContact O-NE2 3.31Å; A260-Q266 HydrophobicContact CB-CG 4.44Å
267	K	98.5	Very high	95.9	Very high	20 Å²	20	45 Å²	45	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.1	177.6	-160.9	-175.9	-169.6	66.1	0	109.2	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.67Å; A229-K267 PolarHBondContact O-N 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.44Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; L239-K267 HydrophobicContact CD1-CD 4.36Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.09Å; V255-K267 WeakPolarHBondContact O-CG 3.37Å; V255-K267 PolarHBondContact O-NZ 3.21Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 2.92Å
268	W	98.3	Very high	95.7	Very high	25 Å²	25	43.8 Å²	43.8	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.7	167.9	56.3	-96.5	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4Å; R226-W268 HydrophobicContact CG-CE3 3.76Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-W268 HydrophobicContact CG-CZ3 4.48Å; R226-W268 VanDerWaalsContact NE-CE3 3.28Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 WeakPolarHBondContact O-CB 3.32Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.37Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.65Å; W228-W268 HydrophobicContact CE3-CG 4.04Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.37Å; W228-W268 AromaticContact CH2-NE1 3.96Å; W228-W268 HydrophobicContact CZ3-CB 4.4Å; W228-W268 AromaticContact CZ3-CD1 3.3Å; W228-W268 HydrophobicContact CZ3-CG 4.06Å; W228-W268 AromaticContact CZ3-NE1 3.93Å; E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.77Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.36Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.47Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.75Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.16Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 3.22Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
269	A	98.3	Very high	95.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.5	172.2	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.47Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 2.88Å; L239-A269 HydrophobicContact CB-CB 4.11Å; L239-A269 HydrophobicContact CD2-CB 4.37Å; W241-A269 PolarHBondContact NE1-O 2.87Å; T252-A269 HydrophobicContact CG2-CB 3.84Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; L254-A269 HydrophobicContact CD1-CB 3.73Å
270	A	97.9	Very high	95.5	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.9	176.8	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.37Å; R226-A270 HydrophobicContact CB-CB 3.87Å; R226-A270 HydrophobicContact CG-CB 4.04Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å; E253-A270 HydrophobicContact CB-CB 4.32Å; E253-A270 PolarHBondContact N-O 3.23Å; E253-A270 PolarHBondContact O-N 2.88Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
271	V	97.7	Very high	95.5	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.3	177.1	63.2	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.41Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.44Å; L225-V271 PolarHBondContact O-N 3.28Å; W241-V271 HydrophobicContact CB-CB 4.5Å; W241-V271 HydrophobicContact CB-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.57Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.1Å; W241-V271 HydrophobicContact CG-CG1 3.68Å; W241-V271 HydrophobicContact CZ2-CG1 4.28Å; V271-V273 HydrophobicContact CG1-CG1 3.87Å; V271-Y281 HydrophobicContact CG1-CD1 4.14Å; V271-Y281 HydrophobicContact CG2-CD1 4.5Å; V271-Y281 HydrophobicContact CG2-CE1 4.16Å
272	V	97.1	Very high	95.8	Very high	76 Å²	76	38.6 Å²	38.6	46%	0.461	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.7	171.9	-177.3	0	0	0	0	108.3	E222	E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	96.1	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.3	-176.1	-50.5	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.32Å; A223-V273 PolarHBondContact N-O 3.45Å; A223-V273 PolarHBondContact O-N 3.25Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 4.14Å; L225-V273 HydrophobicContact CG-CG1 4.08Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.87Å; V273-E278 HydrophobicContact CG2-CB 4.49Å; V273-E278 HydrophobicContact CG2-CG 3.88Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.9	Very high	96.3	Very high	46 Å²	46	32.6 Å²	32.6	30%	0.299	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	141.8	171.1	-20.1	32.4	0	0	0	111.9	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 2.91Å; P274-E277 HydrophobicContact CB-CB 4.22Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CB 4.46Å; P274-E277 HydrophobicContact CG-CG 4.41Å; P274-E277 WeakPolarHBondContact O-CB 3.27Å; P274-E277 PolarHBondContact O-N 2.68Å
275	S	91.8	Very high	96.4	Very high	56 Å²	56	32.2 Å²	32.2	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	125.1	174.4	-63.1	0	0	0	0	111.4	D220 H221 E222	D220-S275 WeakPolarHBondContact O-CB 3.42Å; D220-S275 PolarHBondContact O-OG 2.88Å; H221-S275 WeakPolarHBondContact CA-OG 3.47Å; H221-S275 PolarHBondContact O-N 3.04Å; H221-S275 PolarHBondContact O-OG 3.07Å; E222-S275 PolarHBondContact N-OG 2.75Å
276	G	90.5	Very high	96.3	Very high	66 Å²	66	35.3 Å²	35.3	68%	0.68	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-5.4	-177.7	0	0	0	0	0	115.3	P274 E278	P274-G276 PolarHBondContact O-N 2.91Å; G276-E278 WeakPolarHBondContact CA-OE2 3.48Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.31Å; G276-E278 PolarHBondContact N-OE2 3.39Å
277	E	94.5	Very high	96.2	Very high	52 Å²	52	33.6 Å²	33.6	24%	0.243	19%	0.185	C	C	.	.			trans	-95.4	-0.6	174.8	-73.3	-155.4	-143.9	0	0	113.9	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.08Å; R243-E277 IonicContact NE-OE2 3.79Å; R243-E277 IonicContact NH2-OE1 2.67Å; R243-E277 PolarHBondContact NH2-OE1 3.19Å; R243-E277 IonicContact NH2-OE2 3.36Å; R243-E277 PolarHBondContact NH2-OE2 3.3Å; P274-E277 HydrophobicContact CB-CB 4.22Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CB 4.46Å; P274-E277 HydrophobicContact CG-CG 4.41Å; P274-E277 WeakPolarHBondContact O-CB 3.27Å; P274-E277 PolarHBondContact O-N 2.68Å; E277-Q279 PolarHBondContact O-N 3.46Å; E277-R280 VanDerWaalsContact O-CB 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.15Å; E277-R280 IonicContact OE1-NH1 2.67Å; E277-R280 VanDerWaalsContact OE2-CD 3.23Å; E277-R280 WeakPolarHBondContact OE2-CD 3.34Å; E277-R280 IonicContact OE2-CZ 3.37Å; E277-R280 IonicContact OE2-NE 3.61Å; E277-R280 IonicContact OE2-NH1 3.05Å; E277-R280 PolarHBondContact OE2-NH1 2.87Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å
278	E	94.1	Very high	95.8	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.093	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58	-28.7	-168.5	-50	83.1	-178.7	0	0	113.1	L225 V273 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; V273-E278 HydrophobicContact CG2-CB 4.49Å; V273-E278 HydrophobicContact CG2-CG 3.88Å; G276-E278 WeakPolarHBondContact CA-OE2 3.48Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.31Å; G276-E278 PolarHBondContact N-OE2 3.39Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.15Å; E278-Y281 PolarHBondContact O-N 3.18Å; E278-W298 HydrophobicContact CB-CD2 4.35Å; E278-W298 HydrophobicContact CB-CE3 3.36Å; E278-W298 HydrophobicContact CB-CZ3 3.7Å; E278-W298 HydrophobicContact CG-CE3 3.69Å; E278-W298 HydrophobicContact CG-CH2 4.47Å; E278-W298 HydrophobicContact CG-CZ3 3.6Å
279	Q	94.1	Very high	95.5	Very high	94 Å²	94	35.8 Å²	35.8	44%	0.439	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-71.9	-14.8	178.6	-62.9	-55.4	-46.1	0	0	114.4	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.46Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å; Q279-R297 PolarHBondContact O-NH1 3.09Å; Q279-W298 PolarHBondContact NE2-O 2.75Å
280	R	95.6	Very high	95.3	Very high	99 Å²	99	36.2 Å²	36.2	37%	0.374	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-77.6	-19.1	172.1	-61	174.2	70.2	173.1	5.4	112.2	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.19Å; R243-R280 HydrophobicContact CG-CB 4.3Å; D244-R280 PolarHBondContact N-O 3.05Å; D244-R280 WeakPolarHBondContact OD1-CB 3.14Å; D244-R280 IonicContact OD1-NE 3.69Å; D244-R280 IonicContact OD2-CZ 3.57Å; D244-R280 IonicContact OD2-NE 3.54Å; D244-R280 PolarHBondContact OD2-NE 3.17Å; D244-R280 IonicContact OD2-NH2 3.53Å; D244-R280 PolarHBondContact OD2-NH2 3.22Å; E277-R280 VanDerWaalsContact O-CB 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.15Å; E277-R280 IonicContact OE1-NH1 2.67Å; E277-R280 VanDerWaalsContact OE2-CD 3.23Å; E277-R280 WeakPolarHBondContact OE2-CD 3.34Å; E277-R280 IonicContact OE2-CZ 3.37Å; E277-R280 IonicContact OE2-NE 3.61Å; E277-R280 IonicContact OE2-NH1 3.05Å; E277-R280 PolarHBondContact OE2-NH1 2.87Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.15Å
281	Y	96.9	Very high	95	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.4	-174.5	-68.9	-98.2	0	0	0	111.8	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.5Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.87Å; R243-Y281 WeakPolarHBondContact CD-OH 3.42Å; R243-Y281 HydrophobicContact CG-CD1 4.35Å; R243-Y281 HydrophobicContact CG-CD2 4.43Å; R243-Y281 HydrophobicContact CG-CE1 3.97Å; R243-Y281 HydrophobicContact CG-CE2 4.04Å; R243-Y281 PolarHBondContact NE-OH 3.42Å; Q248-Y281 HydrophobicContact CG-CE1 4.3Å; V271-Y281 HydrophobicContact CG1-CD1 4.14Å; V271-Y281 HydrophobicContact CG2-CD1 4.5Å; V271-Y281 HydrophobicContact CG2-CE1 4.16Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å; E278-Y281 PolarHBondContact O-N 3.18Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å
282	T	97.6	Very high	94.7	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130	174.7	39.8	0	0	0	0	111.2	W241 Q242 H284 T295 L296 R297	W241-T282 CarbonylContact C-O 3.58Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; Q242-T282 PolarHBondContact N-O 2.92Å; Q242-T282 PolarHBondContact O-N 3.48Å; T282-H284 WeakPolarHBondContact CB-NE2 3.39Å; T282-H284 PolarHBondContact OG1-NE2 3.38Å; T282-T295 HydrophobicContact CG2-CG2 3.7Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; T282-R297 HydrophobicContact CG2-CG 3.59Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
283	C	97.9	Very high	94.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.2	166.4	173.2	0	0	0	0	109.1	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.43Å; C227-C283 WeakPolarHBondContact SG-CB 3.01Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.91Å; T240-C283 CarbonylContact O-C 3.48Å; T240-C283 WeakPolarHBondContact O-CA 3Å; W241-C283 HydrophobicContact CD2-CB 4.07Å; W241-C283 HydrophobicContact CE3-CB 3.97Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.9Å; C283-T295 WeakPolarHBondContact O-CA 3.2Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.67Å; C283-L296 PolarHBondContact O-N 2.82Å
284	H	97.5	Very high	94.6	Very high	33 Å²	33	51 Å²	51	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.9	175.4	-61.3	-95.9	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.38Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.82Å; Q242-H284 PolarHBondContact OE1-NE2 3.16Å; T282-H284 WeakPolarHBondContact CB-NE2 3.39Å; T282-H284 PolarHBondContact OG1-NE2 3.38Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.39Å; H284-T295 VanDerWaalsContact CE1-CG2 3.4Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.34Å; H284-T295 PolarHBondContact CE1-OG1 2.98Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å; H284-T295 VanDerWaalsContact ND1-OG1 3.09Å
285	V	97.7	Very high	94.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.3	-177.5	-175.1	0	0	0	0	109.9	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; I237-V285 HydrophobicContact CD1-CG1 4.08Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 2.97Å; L239-V285 HydrophobicContact CD1-CG1 3.99Å; L239-V285 HydrophobicContact CD1-CG2 4.36Å; L239-V285 HydrophobicContact CG-CG2 4.25Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.48Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.17Å; V285-L294 PolarHBondContact O-N 3.21Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
286	Q	96.9	Very high	94.8	Very high	91 Å²	91	51.6 Å²	51.6	43%	0.425	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.8	174.7	-52.2	174.5	5	0	0	108.9	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.13Å; T238-Q286 PolarHBondContact N-O 2.87Å; T238-Q286 PolarHBondContact O-N 3.13Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
287	H	95.2	Very high	95	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.023	28%	0.277	C	S	.	.			trans	-159.8	139.2	-174.5	-179.9	-98.7	0	0	0	109.8	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.28Å; W23-H287 WeakPolarHBondContact CZ3-O 3.05Å; E207-H287 PolarHBondContact O-CE1 3.08Å; P209-H287 HydrophobicContact CG-CB 4.05Å; F232-H287 AromaticContact CD2-CD2 3.81Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 2.91Å; P234-H287 PolarHBondContact O-NE2 3.13Å; E236-H287 PolarHBondContact O-CD2 2.9Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.09Å; I237-H287 HydrophobicContact CG1-CB 3.97Å; H287-G289 PolarHBondContact ND1-N 3.4Å; H287-G289 PolarHBondContact O-N 2.79Å; H287-L290 HydrophobicContact CB-CD1 4.04Å; H287-L290 HydrophobicContact CB-CG 4.24Å; H287-L290 PolarHBondContact O-N 3.36Å
288	E	91.2	Very high	94.9	Very high	78 Å²	78	56.8 Å²	56.8	36%	0.364	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-20.3	-173.8	-159.7	-169.7	149.2	0	0	115	W23 C25 P234	W23-E288 HydrophobicContact CE3-CG 4.47Å; W23-E288 VanDerWaalsContact CZ3-C 3.5Å; W23-E288 VanDerWaalsContact CZ3-CA 3.44Å; W23-E288 VanDerWaalsContact CZ3-O 3.31Å; W23-E288 WeakPolarHBondContact CZ3-O 3.35Å; C25-E288 PolarHBondContact SG-OE1 2.89Å; P234-E288 HydrophobicContact CG-CB 4.36Å; P234-E288 WeakPolarHBondContact CG-OE2 3.33Å
289	G	91.2	Very high	94.2	Very high	14 Å²	14	57.7 Å²	57.7	14%	0.144	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-37.7	171.9	0	0	0	0	0	113.8	A206 H208 H287	A206-G289 VanDerWaalsContact CB-CA 3.49Å; H208-G289 PolarHBondContact CE1-O 2.91Å; H208-G289 PolarHBondContact ND1-O 3.28Å; H287-G289 PolarHBondContact ND1-N 3.4Å; H287-G289 PolarHBondContact O-N 2.79Å
290	L	93.3	Very high	92.4	Very high	9 Å²	9	59.4 Å²	59.4	5%	0.047	31%	0.314	C	S	.	.			trans	-72.5	128.7	-166.9	-63.9	171.4	0	0	0	111.9	W23 H208 P209 V285 H287 E292 L294	W23-L290 HydrophobicContact CH2-CB 4.44Å; W23-L290 WeakPolarHBondContact CH2-O 3.48Å; W23-L290 WeakPolarHBondContact CZ3-O 3.35Å; H208-L290 HydrophobicContact CB-CD2 4.12Å; P209-L290 HydrophobicContact CG-CD1 3.95Å; P209-L290 HydrophobicContact CG-CD2 4.28Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 4.04Å; H287-L290 HydrophobicContact CB-CG 4.24Å; H287-L290 PolarHBondContact O-N 3.36Å; L290-E292 PolarHBondContact O-N 2.88Å; L290-L294 HydrophobicContact CD1-CD1 4.12Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CG 3.9Å
291	P	91.7	Very high	90.2	Very high	121 Å²	121	60 Å²	60	79%	0.786	33%	0.333	S	S	*	.	S	Bend	trans	-67.1	-26.7	177.5	28.5	-35.3	0	0	0	112.9
292	E	92.1	Very high	87.7	Confident	149 Å²	149	65.1 Å²	65.1	70%	0.696	37%	0.37	S	S	*	.	S	Bend	trans	-144.5	149.1	173.1	-64.9	-177.1	174.4	0	0	108.8	L290 L294	L290-E292 PolarHBondContact O-N 2.88Å; E292-L294 PolarHBondContact O-N 2.64Å
293	P	94.9	Very high	85.1	Confident	61 Å²	61	72 Å²	72	40%	0.396	40%	0.401	S	S	.	.			trans	-54.9	132.4	174.9	-28.6	37.1	0	0	0	113.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.48Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
294	L	95.8	Very high	82.3	Confident	60 Å²	60	77.7 Å²	77.7	31%	0.314	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.3	176.6	-65.1	177.7	0	0	0	110.6	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.24Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.39Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.17Å; V285-L294 PolarHBondContact O-N 3.21Å; L290-L294 HydrophobicContact CD1-CD1 4.12Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CG 3.9Å; E292-L294 PolarHBondContact O-N 2.64Å
295	T	97	Very high	79.8	Confident	82 Å²	82	82.5 Å²	82.5	50%	0.503	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.2	168.6	-56.9	0	0	0	0	109.3	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.7Å; C283-T295 WeakPolarHBondContact O-CA 3.2Å; H284-T295 VanDerWaalsContact CE1-CG2 3.4Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.34Å; H284-T295 PolarHBondContact CE1-OG1 2.98Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å; H284-T295 VanDerWaalsContact ND1-OG1 3.09Å
296	L	96.1	Very high	77.7	Confident	34 Å²	34	87.8 Å²	87.8	18%	0.178	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.8	-171.2	-59.9	159.2	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.11Å; V213-L296 HydrophobicContact CG2-CB 3.95Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.67Å; C283-L296 PolarHBondContact O-N 2.82Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
297	R	94.8	Very high	75.6	Confident	148 Å²	148	87.8 Å²	87.8	56%	0.558	51%	0.505	S	S	*	.			trans	-119.9	159.2	167.6	-66.2	-171.6	-178.8	-162.6	-3	109.6	Q279 T282	Q279-R297 PolarHBondContact O-NH1 3.09Å; T282-R297 HydrophobicContact CG2-CG 3.59Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
298	W	92.4	Very high	74	Confident	79 Å²	79	93.2 Å²	93.2	30%	0.299	53%	0.533	S	S	.	.			trans	-71.6	136.8	165	172.5	67.5	0	0	0	110.5	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.21Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 AromaticContact CD2-CE2 3.8Å; H215-W298 AromaticContact CD2-CH2 3.96Å; H215-W298 AromaticContact CD2-CZ2 3.7Å; H215-W298 AromaticContact CG-CE2 3.68Å; H215-W298 AromaticContact CG-CZ2 3.69Å; H215-W298 AromaticContact CG-NE1 3.84Å; H215-W298 AromaticContact ND1-CZ2 3.96Å; H215-W298 AromaticContact NE2-CH2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.92Å; E278-W298 HydrophobicContact CB-CD2 4.35Å; E278-W298 HydrophobicContact CB-CE3 3.36Å; E278-W298 HydrophobicContact CB-CZ3 3.7Å; E278-W298 HydrophobicContact CG-CE3 3.69Å; E278-W298 HydrophobicContact CG-CH2 4.47Å; E278-W298 HydrophobicContact CG-CZ3 3.6Å; Q279-W298 PolarHBondContact NE2-O 2.75Å
299	G	79.4	Confident	72.5	Confident	39 Å²	39	95.4 Å²	95.4	40%	0.402	55%	0.551	S	S	.	*	S	Bend	trans	174.9	163.4	174.9	0	0	0	0	0	110.8	S301	G299-S301 PolarHBondContact O-N 3.14Å
300	P	56.2	Low	71.3	Confident	130 Å²	130	96.9 Å²	96.9	84%	0.844	57%	0.567	S	S	*	*	S	Bend	trans	-61	130.9	171.2	27	-33.4	0	0	0	109.4	S302	P300-S302 PolarHBondContact O-N 3.32Å
301	S	49.5	Very low	70.2	Confident	110 Å²	110	101 Å²	101	77%	0.769	59%	0.588	S	S	*	*			trans	-59.1	104.4	-175.2	-176.6	0	0	0	0	111.3	G299 Q303	G299-S301 PolarHBondContact O-N 3.14Å; S301-Q303 PolarHBondContact O-N 3.14Å
302	S	43.2	Very low	69.3	Low	115 Å²	115	99.5 Å²	99.5	80%	0.804	58%	0.576	S	S	*	*			trans	-74.6	72	168.6	60.5	0	0	0	0	109.4	P300	P300-S302 PolarHBondContact O-N 3.32Å
303	Q	42.3	Very low	68.3	Low	154 Å²	154	94.9 Å²	94.9	72%	0.72	56%	0.564	S	S	*	*			trans	-50.6	134.8	156.4	-72.3	-169.1	-18.1	0	0	107.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.14Å; Q303-T305 PolarHBondContact O-N 3.37Å
304	P	39.5	Very low	67.5	Low	120 Å²	120	93.6 Å²	93.6	78%	0.779	56%	0.562	S	S	*	*			trans	-65.6	103.3	178.3	26.2	-32.9	0	0	0	108.4	I306	P304-I306 VanDerWaalsContact C-N 3.27Å; P304-I306 PolarHBondContact O-N 3.11Å
305	T	44.7	Very low	66.9	Low	133 Å²	133	95.9 Å²	95.9	82%	0.816	57%	0.574	S	S	*	*			trans	-62.7	92.2	174.2	-54.2	0	0	0	0	108.3	Q303	Q303-T305 PolarHBondContact O-N 3.37Å
306	I	55.2	Low	66.1	Low	112 Å²	112	94.5 Å²	94.5	57%	0.574	57%	0.571	S	S	*	*			trans	-49.3	126	172.9	-62.3	175	0	0	0	106.5	P304 I308 I311	P304-I306 VanDerWaalsContact C-N 3.27Å; P304-I306 PolarHBondContact O-N 3.11Å; I306-I308 PolarHBondContact O-N 2.82Å; I306-I311 HydrophobicContact CG2-CD1 3.82Å
307	P	52	Low	65.5	Low	91 Å²	91	97.1 Å²	97.1	59%	0.591	59%	0.588	S	S	*	*			trans	-75.2	75	-174.9	29.8	-35.1	0	0	0	110.1	V309 G310 I311	P307-V309 PolarHBondContact O-N 2.85Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.44Å; P307-G310 PolarHBondContact O-N 2.9Å; P307-I311 PolarHBondContact O-N 2.8Å; P307-I311 VanDerWaalsContact O-N 3.14Å
308	I	60.7	Low	64.9	Low	118 Å²	118	95.5 Å²	95.5	61%	0.605	59%	0.59	S	S	*	*	H	α-helix	trans	-52.8	-37.9	178.5	-66.5	165.6	0	0	0	110	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.82Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 3.22Å; I308-I311 PolarHBondContact O-N 3.31Å; I308-V312 HydrophobicContact CG2-CG2 4.15Å; I308-V312 WeakPolarHBondContact O-CB 3.34Å; I308-V312 VanDerWaalsContact O-CG2 3.29Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 2.99Å
309	V	60.9	Low	64.5	Low	124 Å²	124	94.4 Å²	94.4	75%	0.752	60%	0.597	S	S	*	*	H	α-helix	trans	-56.5	-42.9	173.4	-177.8	0	0	0	0	112.2	P307 A313	P307-V309 PolarHBondContact O-N 2.85Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.27Å; V309-A313 PolarHBondContact O-N 3.12Å
310	G	65.1	Low	64.7	Low	46 Å²	46	96.7 Å²	96.7	47%	0.474	60%	0.604	S	S	.	*	H	α-helix	trans	-69.3	-38.8	178	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.44Å; P307-G310 PolarHBondContact O-N 2.9Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 3.22Å; G310-G314 PolarHBondContact O-N 3.02Å
311	I	70.4	Confident	66	Low	95 Å²	95	95.5 Å²	95.5	49%	0.487	59%	0.589	S	S	.	*	H	α-helix	trans	-65.9	-47.1	175.8	-61.6	172.3	0	0	0	110.3	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.82Å; P307-I311 PolarHBondContact O-N 2.8Å; P307-I311 VanDerWaalsContact O-N 3.14Å; I308-I311 PolarHBondContact O-N 3.31Å; I311-G314 PolarHBondContact O-N 3.19Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CG 3.49Å; I311-L315 PolarHBondContact O-N 3.09Å
312	V	73	Confident	67.6	Low	89 Å²	89	93.3 Å²	93.3	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-63.5	-42.4	177.8	171.3	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.15Å; I308-V312 WeakPolarHBondContact O-CB 3.34Å; I308-V312 VanDerWaalsContact O-CG2 3.29Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 2.99Å; V312-L315 PolarHBondContact O-N 3.04Å; V312-A316 WeakPolarHBondContact O-CB 3.42Å; V312-A316 PolarHBondContact O-N 3.49Å
313	A	72.3	Confident	69.5	Low	52 Å²	52	92.3 Å²	92.3	43%	0.43	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-44.2	175.2	0	0	0	0	0	112.3	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.27Å; V309-A313 PolarHBondContact O-N 3.12Å; A313-A316 PolarHBondContact O-N 3.01Å; A313-V317 WeakPolarHBondContact O-CG2 3.1Å; A313-V317 PolarHBondContact O-N 3.02Å
314	G	76.8	Confident	71.3	Confident	35 Å²	35	89.7 Å²	89.7	36%	0.361	56%	0.557	S	S	.	*	H	α-helix	trans	-61.3	-43.9	176.5	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.02Å; I311-G314 PolarHBondContact O-N 3.19Å; G314-V317 PolarHBondContact O-N 3.01Å; G314-L318 WeakPolarHBondContact O-CG 3.45Å; G314-L318 PolarHBondContact O-N 3.5Å
315	L	83.2	Confident	73.2	Confident	108 Å²	108	85.9 Å²	85.9	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-65	-39.3	175.8	-70.8	170.8	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CG 3.49Å; I311-L315 PolarHBondContact O-N 3.09Å; V312-L315 PolarHBondContact O-N 3.04Å; L315-L318 PolarHBondContact O-N 2.98Å; L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 3.49Å
316	A	80.4	Confident	74.8	Confident	53 Å²	53	82.2 Å²	82.2	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-43.2	175.7	0	0	0	0	0	112.1	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.42Å; V312-A316 PolarHBondContact O-N 3.49Å; A313-A316 PolarHBondContact O-N 3.01Å; A316-A319 PolarHBondContact O-N 2.89Å; A316-V320 WeakPolarHBondContact O-CG2 3.27Å; A316-V320 PolarHBondContact O-N 3.08Å
317	V	83.5	Confident	75.9	Confident	89 Å²	89	80.8 Å²	80.8	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-44	175.5	171.6	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.1Å; A313-V317 PolarHBondContact O-N 3.02Å; G314-V317 PolarHBondContact O-N 3.01Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.98Å; V317-V320 PolarHBondContact O-N 3.15Å; V317-L321 HydrophobicContact CG1-CD1 3.93Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.27Å; V317-L321 PolarHBondContact O-N 3Å
318	L	82.4	Confident	77	Confident	113 Å²	113	82 Å²	82	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-60.7	-41.5	175.8	-76.9	167.4	0	0	0	112.4	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CG 3.45Å; G314-L318 PolarHBondContact O-N 3.5Å; L315-L318 PolarHBondContact O-N 2.98Å; L318-L321 PolarHBondContact O-N 3.09Å; L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.73Å
319	A	83.5	Confident	77.6	Confident	56 Å²	56	78.9 Å²	78.9	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-43.8	176.3	0	0	0	0	0	112.3	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 3.49Å; A316-A319 PolarHBondContact O-N 2.89Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.98Å; A319-A322 PolarHBondContact O-N 3.25Å; A319-V323 WeakPolarHBondContact O-CG2 3.36Å; A319-V323 PolarHBondContact O-N 2.73Å
320	V	84.5	Confident	78.2	Confident	88 Å²	88	76.9 Å²	76.9	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-43.6	176.2	171.3	0	0	0	0	111.4	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.27Å; A316-V320 PolarHBondContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 3.15Å; V320-A322 PolarHBondContact O-N 3.48Å; V320-V323 PolarHBondContact O-N 2.87Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.17Å
321	L	83.5	Confident	78.6	Confident	104 Å²	104	78.1 Å²	78.1	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-39.5	176.6	-70.8	172.1	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.93Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.27Å; V317-L321 PolarHBondContact O-N 3Å; L318-L321 PolarHBondContact O-N 3.09Å; L321-L324 PolarHBondContact O-N 3.46Å; L321-G325 PolarHBondContact O-N 2.71Å
322	A	81.6	Confident	78.6	Confident	65 Å²	65	80 Å²	80	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-42.6	175.6	0	0	0	0	0	112.2	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.73Å; A319-A322 PolarHBondContact O-N 3.25Å; V320-A322 PolarHBondContact O-N 3.48Å; A322-G325 PolarHBondContact O-N 2.87Å; A322-A326 WeakPolarHBondContact O-CB 3.36Å; A322-A326 PolarHBondContact O-N 2.9Å
323	V	82.9	Confident	78.1	Confident	93 Å²	93	80 Å²	80	56%	0.564	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-45.3	175.3	171.7	0	0	0	0	111.2	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.36Å; A319-V323 PolarHBondContact O-N 2.73Å; V320-V323 PolarHBondContact O-N 2.87Å; V323-G325 PolarHBondContact O-N 3.15Å; V323-A326 PolarHBondContact O-N 3.13Å; V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 WeakPolarHBondContact O-CG2 3.5Å; V323-V327 PolarHBondContact O-N 2.83Å
324	L	80.5	Confident	77.5	Confident	99 Å²	99	86.5 Å²	86.5	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-42.2	176.3	-71.9	169.6	0	0	0	111.9	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.17Å; L321-L324 PolarHBondContact O-N 3.46Å; L324-V327 PolarHBondContact O-N 3.02Å; L324-M328 WeakPolarHBondContact O-CB 3.19Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.46Å; L324-M328 PolarHBondContact O-N 3.35Å
325	G	79.9	Confident	76.6	Confident	41 Å²	41	94.7 Å²	94.7	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-60.7	-44.6	174.3	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 2.71Å; A322-G325 PolarHBondContact O-N 2.87Å; V323-G325 PolarHBondContact O-N 3.15Å; G325-M328 PolarHBondContact O-N 2.81Å; G325-A329 WeakPolarHBondContact O-CB 3.28Å; G325-A329 PolarHBondContact O-N 2.99Å
326	A	78.5	Confident	75	Confident	56 Å²	56	98.3 Å²	98.3	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-64.1	-42.9	176.4	0	0	0	0	0	112.4	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.36Å; A322-A326 PolarHBondContact O-N 2.9Å; V323-A326 PolarHBondContact O-N 3.13Å; A326-A329 PolarHBondContact O-N 3.12Å; A326-V330 WeakPolarHBondContact O-CG2 3.48Å; A326-V330 PolarHBondContact O-N 3.31Å
327	V	79.1	Confident	73.6	Confident	81 Å²	81	100.2 Å²	100.2	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-61.7	-45.7	175.1	169.7	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 WeakPolarHBondContact O-CG2 3.5Å; V323-V327 PolarHBondContact O-N 2.83Å; L324-V327 PolarHBondContact O-N 3.02Å; V327-A329 PolarHBondContact O-N 3.22Å; V327-V330 PolarHBondContact O-N 2.99Å; V327-V331 HydrophobicContact CG1-CG2 4.45Å; V327-V331 WeakPolarHBondContact O-CB 3.38Å; V327-V331 WeakPolarHBondContact O-CG2 3.2Å; V327-V331 PolarHBondContact O-N 3.1Å
328	M	74.1	Confident	72.1	Confident	117 Å²	117	100.9 Å²	100.9	58%	0.576	57%	0.572	S	S	*	*	H	α-helix	trans	-62.7	-41.6	177.1	-73.3	-65.2	-72.1	0	0	112.2	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.19Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.46Å; L324-M328 PolarHBondContact O-N 3.35Å; G325-M328 PolarHBondContact O-N 2.81Å; M328-V331 PolarHBondContact O-N 3.31Å; M328-M332 WeakPolarHBondContact O-CB 3.42Å; M328-M332 WeakPolarHBondContact O-CG 3.46Å; M328-M332 PolarHBondContact O-N 3.27Å
329	A	73.2	Confident	70.2	Confident	53 Å²	53	98.7 Å²	98.7	44%	0.438	58%	0.576	S	S	.	*	H	α-helix	trans	-61	-46.1	174.2	0	0	0	0	0	112	G325 A326 V327 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.28Å; G325-A329 PolarHBondContact O-N 2.99Å; A326-A329 PolarHBondContact O-N 3.12Å; V327-A329 PolarHBondContact O-N 3.22Å; A329-V331 PolarHBondContact O-N 2.97Å; A329-M332 PolarHBondContact O-N 3.18Å; A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.67Å; A329-C333 PolarHBondContact O-SG 2.82Å; A329-C333 VanDerWaalsContact O-SG 3.41Å
330	V	74	Confident	68.1	Low	81 Å²	81	99.6 Å²	99.6	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-62.7	-40.2	176.5	169.9	0	0	0	0	111.8	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.48Å; A326-V330 PolarHBondContact O-N 3.31Å; V327-V330 PolarHBondContact O-N 2.99Å; V330-C333 PolarHBondContact O-N 2.97Å; V330-R334 WeakPolarHBondContact O-CB 3.4Å; V330-R334 WeakPolarHBondContact O-CG 3.4Å; V330-R334 PolarHBondContact O-N 3.41Å
331	V	72.6	Confident	65.7	Low	72 Å²	72	106 Å²	106	44%	0.436	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-40.9	175.9	169.3	0	0	0	0	111.5	V327 M328 A329 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.45Å; V327-V331 WeakPolarHBondContact O-CB 3.38Å; V327-V331 WeakPolarHBondContact O-CG2 3.2Å; V327-V331 PolarHBondContact O-N 3.1Å; M328-V331 PolarHBondContact O-N 3.31Å; A329-V331 PolarHBondContact O-N 2.97Å; V331-R334 PolarHBondContact O-N 3.17Å; V331-R335 PolarHBondContact O-N 3.35Å
332	M	70.7	Confident	63.2	Low	134 Å²	134	105 Å²	105	66%	0.66	63%	0.627	S	S	*	*	H	α-helix	trans	-66.3	-42.8	175.1	-73.9	-175.4	71	0	0	112.2	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.42Å; M328-M332 WeakPolarHBondContact O-CG 3.46Å; M328-M332 PolarHBondContact O-N 3.27Å; A329-M332 PolarHBondContact O-N 3.18Å; M332-R334 PolarHBondContact O-N 3.2Å; M332-R335 PolarHBondContact O-N 3.31Å; M332-K336 WeakPolarHBondContact O-CB 3.42Å; M332-K336 PolarHBondContact O-N 2.77Å
333	C	62.3	Low	60.8	Low	91 Å²	91	105.4 Å²	105.4	62%	0.615	64%	0.637	S	S	*	*	H	α-helix	trans	-59.9	-44.2	173	-74.1	0	0	0	0	111.7	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.67Å; A329-C333 PolarHBondContact O-SG 2.82Å; A329-C333 VanDerWaalsContact O-SG 3.41Å; V330-C333 PolarHBondContact O-N 2.97Å; C333-K336 PolarHBondContact O-N 2.98Å; C333-K336 VanDerWaalsContact O-N 3.17Å; C333-S337 PolarHBondContact O-N 2.71Å; C333-S337 VanDerWaalsContact O-N 3.13Å; C333-S337 PolarHBondContact O-OG 3.27Å
334	R	60	Low	58.5	Low	187 Å²	187	106.9 Å²	106.9	71%	0.706	65%	0.651	S	S	*	*	H	α-helix	trans	-64.8	-39.1	176.5	-79.2	-177.1	164.7	-177.3	-4.2	113.3	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.4Å; V330-R334 WeakPolarHBondContact O-CG 3.4Å; V330-R334 PolarHBondContact O-N 3.41Å; V331-R334 PolarHBondContact O-N 3.17Å; M332-R334 PolarHBondContact O-N 3.2Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-K336 PolarHBondContact O-N 2.72Å; R334-S337 WeakPolarHBondContact CA-OG 3.43Å; R334-S337 PolarHBondContact O-N 2.83Å; R334-S337 PolarHBondContact O-OG 2.99Å
335	R	57.8	Low	56.2	Low	207 Å²	207	108.2 Å²	108.2	78%	0.781	67%	0.668	S	S	*	*	H	α-helix	trans	-64	-34.3	171	-94.6	-175.8	166.1	176.8	-3.5	112.9	V331 M332 S337 S338	V331-R335 PolarHBondContact O-N 3.35Å; M332-R335 PolarHBondContact O-N 3.31Å; R335-S337 VanDerWaalsContact C-N 3.32Å; R335-S338 PolarHBondContact O-OG 3.05Å
336	K	49.4	Very low	54.1	Low	184 Å²	184	112.3 Å²	112.3	80%	0.8	69%	0.689	S	S	*	*	H	α-helix	trans	-77	-15.8	178.9	-161.5	170.6	-178	179.8	0	113.4	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.42Å; M332-K336 PolarHBondContact O-N 2.77Å; C333-K336 PolarHBondContact O-N 2.98Å; C333-K336 VanDerWaalsContact O-N 3.17Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-K336 PolarHBondContact O-N 2.72Å
337	S	52.7	Low	52.1	Low	94 Å²	94	118.9 Å²	118.9	66%	0.657	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-3.6	177.5	52.9	0	0	0	0	115.7	C333 R334 R335	C333-S337 PolarHBondContact O-N 2.71Å; C333-S337 VanDerWaalsContact O-N 3.13Å; C333-S337 PolarHBondContact O-OG 3.27Å; R334-S337 WeakPolarHBondContact CA-OG 3.43Å; R334-S337 PolarHBondContact O-N 2.83Å; R334-S337 PolarHBondContact O-OG 2.99Å; R335-S337 VanDerWaalsContact C-N 3.32Å
338	S	50.2	Low	49.8	Very low	103 Å²	103	120 Å²	120	72%	0.72	73%	0.728	S	S	*	*	S	Bend	trans	-104.4	21.5	-174	70	0	0	0	0	115.2	R335	R335-S338 PolarHBondContact O-OG 3.05Å
339	G	42.3	Very low	47.8	Very low	66 Å²	66	118.3 Å²	118.3	68%	0.68	73%	0.733	S	S	*	*	S	Bend	trans	-164.8	134.6	172.1	0	0	0	0	0	109.3
340	G	39.8	Very low	45.9	Very low	76 Å²	76	121.4 Å²	121.4	78%	0.784	75%	0.752	S	S	*	*			trans	-171.5	-152.6	-171.4	0	0	0	0	0	115.3
341	K	33.9	Very low	44	Very low	223 Å²	223	122.4 Å²	122.4	97%	0.97	76%	0.762	S	S	*	*			trans	92.6	132.2	-179.8	-151.8	168.8	-170.7	173.8	0	115
342	G	31.6	Very low	42.2	Very low	83 Å²	83	126 Å²	126	86%	0.856	78%	0.779	S	S	*	*			trans	92.9	128	-176.1	0	0	0	0	0	113.2
343	G	32.2	Very low	40.6	Very low	72 Å²	72	124.9 Å²	124.9	74%	0.742	78%	0.784	S	S	*	*			cis	173.1	165	-8.5	0	0	0	0	0	113.3
344	S	33.6	Very low	39.4	Very low	124 Å²	124	125 Å²	125	87%	0.867	79%	0.792	S	S	*	*			trans	77.1	132.6	176.7	-154.2	0	0	0	0	118
345	C	33.3	Very low	38.3	Very low	128 Å²	128	126 Å²	126	87%	0.865	81%	0.805	S	S	*	*			trans	-101.5	140	159.7	-67	0	0	0	0	108.5
346	S	34.2	Very low	36.9	Very low	126 Å²	126	119 Å²	119	88%	0.881	80%	0.797	S	S	*	*			trans	-118	126.7	159.3	44.3	0	0	0	0	109.2
347	Q	37.2	Very low	36.4	Very low	194 Å²	194	115.3 Å²	115.3	91%	0.907	79%	0.794	S	S	*	*			trans	-106.9	129.8	-173.9	179.8	-178.7	2.8	0	0	108.9
348	A	29.8	Very low	35.8	Very low	104 Å²	104	117.2 Å²	117.2	86%	0.86	80%	0.797	S	S	*	*			trans	-146.1	128.1	171.3	0	0	0	0	0	109.8
349	A	33.4	Very low	35.2	Very low	82 Å²	82	120.6 Å²	120.6	68%	0.678	80%	0.802	S	S	*	*			trans	-147.7	151.5	176.8	0	0	0	0	0	109.1
350	S	33.7	Very low	34.8	Very low	119 Å²	119	121.6 Å²	121.6	83%	0.832	80%	0.798	S	S	*	*			trans	61.5	150.6	176.5	32.8	0	0	0	0	116.3
351	S	33.5	Very low	34.6	Very low	102 Å²	102	125.2 Å²	125.2	71%	0.713	80%	0.799	S	S	*	*			cis	-167.3	167.3	-11	44.1	0	0	0	0	111.1
352	N	34.8	Very low	34.6	Very low	146 Å²	146	122.3 Å²	122.3	78%	0.781	79%	0.792	S	S	*	*			trans	-0.7	140.3	156.3	-49.2	-6	0	0	0	117.8
353	S	37.4	Very low	34.5	Very low	111 Å²	111	122.6 Å²	122.6	78%	0.776	79%	0.786	S	S	*	*				-169.8	138.3	64.9	-57.1	0	0	0	0	109.2
354	A	35.9	Very low	34.6	Very low	94 Å²	94	125 Å²	125	78%	0.777	79%	0.79	S	S	*	*				95.1	151.9	69	0	0	0	0	0	114.3
355	Q	36.5	Very low	34.5	Very low	208 Å²	208	128.9 Å²	128.9	97%	0.972	79%	0.792	S	S	*	*			trans	71.5	132.4	174.2	-123.1	162.7	-0.1	0	0	116.4
356	G	29.9	Very low	34.6	Very low	61 Å²	61	131 Å²	131	63%	0.629	82%	0.818	S	S	*	*			cis	-150	162.3	-6.4	0	0	0	0	0	110.2
357	S	39.4	Very low	34.7	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	82%	0.815	S	S	*	*				68.2	128.3	88.4	-81.5	0	0	0	0	114.5
358	D	39	Very low	34.5	Very low	135 Å²	135	127.9 Å²	127.9	72%	0.722	81%	0.81	S	S	*	*			cis	-154.2	161.8	9.3	-84.9	-35.8	0	0	0	114.2
359	E	36.6	Very low	34.8	Very low	173 Å²	173	129.3 Å²	129.3	81%	0.808	81%	0.808	S	S	*	*			trans	55.5	150.9	144.1	-75.1	-160.4	134.6	0	0	123.4
360	S	35.3	Very low	34.9	Very low	87 Å²	87	132.1 Å²	132.1	61%	0.608	82%	0.815	S	S	*	*			cis	-159.7	146.2	-4.9	46.7	0	0	0	0	112.2
361	L	36.1	Very low	34.9	Very low	153 Å²	153	132.9 Å²	132.9	80%	0.801	81%	0.814	S	S	*	*				44.8	154.7	126.7	-46.4	170.6	0	0	0	119.7
362	I	33.7	Very low	35	Very low	162 Å²	162	134.9 Å²	134.9	83%	0.831	82%	0.821	S	S	*	*			cis	-154.1	146.8	29.8	-73.5	179.2	0	0	0	105.8
363	A	29.9	Very low	35.1	Very low	88 Å²	88	134.1 Å²	134.1	73%	0.727	82%	0.824	S	S	*	*			cis	-158.6	-133.4	-7.5	0	0	0	0	0	109.5
364	C	32.6	Very low	34.9	Very low	123 Å²	123	135.9 Å²	135.9	83%	0.831	83%	0.828	S	S	*	*			trans	-146.4	158	175.6	-81.1	0	0	0	0	111.9
365	K	33.1	Very low	34.8	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.896	83%	0.832	S	S	*	*			trans	52.5	128.4	159.8	-73.9	-173.1	172.8	-174.8	0	120.3
366	A	35.4	Very low	34.6	Very low	172 Å²	172	133.2 Å²	133.2	100%	1.421	82%	0.819	S	S	*	*				-129.6	0	107.5	0	0	0	0	0	107.9

Retrieved 366 of 366 residues in 165.5 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).