CTBP2_HUMAN Loading...

C-terminal-binding protein 2

Corepressor targeting diverse transcription regulators. Functions in brown adipose tissue (BAT) differentiation (By similarity). Isoform 2 probably acts as a scaffold for specialized synapses.

AlphaFold DB , UniProt , Accession P56545, Species HUMAN (Homo sapiens, Human), Gene CTBP2, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	45.1	Very low	254 Å²	254	151.5 Å²	151.5	100%	1.251	75%	0.754	S	S	*	*				0	116	0	-70.1	162.8	89.9	0	0	106.2
2	A	42.7	Very low	45.2	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	75%	0.746	S	S	*	*			cis	-142	135.6	17.4	0	0	0	0	0	109.4	V4	A2-V4 PolarHBondContact O-N 2.97Å
3	L	44	Very low	45.1	Very low	185 Å²	185	153.7 Å²	153.7	97%	0.969	74%	0.744	S	S	*	*			trans	-77.3	101.9	165	-96.4	118.5	0	0	0	107.4
4	V	44.7	Very low	44.9	Very low	123 Å²	123	150.4 Å²	150.4	75%	0.745	73%	0.731	S	S	*	*			trans	-78.2	124.5	170.1	177.9	0	0	0	0	108.4	A2 K6	A2-V4 PolarHBondContact O-N 2.97Å; V4-K6 PolarHBondContact O-N 3.18Å
5	D	46.4	Very low	44.5	Very low	96 Å²	96	146.4 Å²	146.4	51%	0.513	72%	0.715	S	S	.	*			trans	-61.2	109	-170.3	-165.4	-7.9	0	0	0	112.9	H7 K8	D5-H7 PolarHBondContact O-N 3.26Å; D5-H7 IonicContact OD1-CD2 3.93Å; D5-H7 PolarHBondContact OD1-N 3.15Å; D5-K8 PolarHBondContact O-N 2.83Å; D5-K8 VanDerWaalsContact O-N 3.16Å
6	K	47.7	Very low	44.3	Very low	184 Å²	184	149.9 Å²	149.9	80%	0.8	72%	0.718	S	S	*	*	H	α-helix	trans	-59.1	-15.8	178.1	-76.2	-177.7	176.4	178.2	0	113	V4	V4-K6 PolarHBondContact O-N 3.18Å
7	H	48	Very low	44.2	Very low	145 Å²	145	147.7 Å²	147.7	67%	0.671	71%	0.71	S	S	*	*	H	α-helix	trans	-77.9	-27.3	177.5	-79.2	-75.5	0	0	0	114.1	D5 R11	D5-H7 PolarHBondContact O-N 3.26Å; D5-H7 IonicContact OD1-CD2 3.93Å; D5-H7 PolarHBondContact OD1-N 3.15Å; H7-R11 PolarHBondContact O-N 3.32Å
8	K	45.5	Very low	43.9	Very low	160 Å²	160	144.4 Å²	144.4	70%	0.696	70%	0.704	S	S	*	*	H	α-helix	trans	-70.6	-35.9	175.9	-103.3	-178.3	174.9	-179.6	0	112.7	D5 R11 Q12	D5-K8 PolarHBondContact O-N 2.83Å; D5-K8 VanDerWaalsContact O-N 3.16Å; K8-R11 PolarHBondContact O-N 3.08Å; K8-Q12 PolarHBondContact O-N 2.88Å
9	V	47.4	Very low	43.5	Very low	91 Å²	91	145.6 Å²	145.6	55%	0.552	71%	0.707	S	S	*	*	H	α-helix	trans	-69.9	-33.9	178.8	-176.9	0	0	0	0	111.7	R13	V9-R13 WeakPolarHBondContact O-CB 3.37Å; V9-R13 PolarHBondContact O-N 3.44Å
10	K	46.5	Very low	43.1	Very low	149 Å²	149	141.5 Å²	141.5	65%	0.648	71%	0.705	S	S	*	*	H	α-helix	trans	-69.6	-36	175.8	-101	-175	175	-176.1	0	113	R13 L14	K10-R13 PolarHBondContact O-N 3.39Å; K10-L14 PolarHBondContact O-N 3.32Å
11	R	45.1	Very low	43	Very low	190 Å²	190	140.9 Å²	140.9	72%	0.717	70%	0.702	S	S	*	*	H	α-helix	trans	-70.6	-44.6	179.4	-127.1	173.1	-177.1	170	-0.7	112.2	H7 K8 R13 L14 D15	H7-R11 PolarHBondContact O-N 3.32Å; K8-R11 PolarHBondContact O-N 3.08Å; R11-R13 PolarHBondContact O-N 2.94Å; R11-L14 PolarHBondContact O-N 3.34Å; R11-L14 VanDerWaalsContact O-N 3.11Å; R11-D15 PolarHBondContact O-N 3.04Å
12	Q	46.1	Very low	43.3	Very low	141 Å²	141	131.8 Å²	131.8	66%	0.659	65%	0.654	S	S	*	*	H	α-helix	trans	-61.4	-29	173.2	-80.3	-179.8	-19.7	0	0	113.6	K8 R16	K8-Q12 PolarHBondContact O-N 2.88Å; Q12-R16 PolarHBondContact O-N 3.31Å
13	R	44.1	Very low	43.4	Very low	191 Å²	191	132.9 Å²	132.9	72%	0.721	65%	0.654	S	S	*	*	H	α-helix	trans	-77.7	-29.8	177	-150.8	176.5	-173.2	-174.5	1.5	112.6	V9 K10 R11 I17	V9-R13 WeakPolarHBondContact O-CB 3.37Å; V9-R13 PolarHBondContact O-N 3.44Å; K10-R13 PolarHBondContact O-N 3.39Å; R11-R13 PolarHBondContact O-N 2.94Å; R13-I17 WeakPolarHBondContact O-CD1 3.48Å; R13-I17 WeakPolarHBondContact O-CG1 3.46Å; R13-I17 PolarHBondContact O-N 3.04Å
14	L	43	Very low	43.7	Very low	107 Å²	107	129.5 Å²	129.5	56%	0.56	63%	0.633	S	S	*	*	H	α-helix	trans	-79.5	-38.9	174.8	-99.2	129	0	0	0	112.2	K10 R11 R16 I17 C18	K10-L14 PolarHBondContact O-N 3.32Å; R11-L14 PolarHBondContact O-N 3.34Å; R11-L14 VanDerWaalsContact O-N 3.11Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 3.4Å; L14-I17 PolarHBondContact O-N 2.96Å; L14-C18 PolarHBondContact O-N 3.45Å; L14-C18 VanDerWaalsContact O-N 3.14Å
15	D	38.2	Very low	44.3	Very low	91 Å²	91	125.9 Å²	125.9	49%	0.487	61%	0.609	S	S	.	*	H	α-helix	trans	-65.4	-36.4	177	-64.9	-28.7	0	0	0	111.1	R11 I17 C18 E19	R11-D15 PolarHBondContact O-N 3.04Å; D15-I17 VanDerWaalsContact C-N 3.29Å; D15-I17 PolarHBondContact O-N 3.12Å; D15-C18 PolarHBondContact O-N 3.37Å; D15-E19 WeakPolarHBondContact O-CG 3.13Å; D15-E19 PolarHBondContact O-N 2.93Å
16	R	42	Very low	44.5	Very low	203 Å²	203	128.8 Å²	128.8	77%	0.766	62%	0.621	S	S	*	*	H	α-helix	trans	-66.6	-24.1	170.6	-84.9	-174.5	177.2	-171.4	-0.8	114.8	Q12 L14	Q12-R16 PolarHBondContact O-N 3.31Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 3.4Å
17	I	41.6	Very low	45.1	Very low	112 Å²	112	124.2 Å²	124.2	57%	0.574	61%	0.606	S	S	*	*	H	α-helix	trans	-80	-28.7	176.6	-69.9	164.4	0	0	0	110.3	R13 L14 D15	R13-I17 WeakPolarHBondContact O-CD1 3.48Å; R13-I17 WeakPolarHBondContact O-CG1 3.46Å; R13-I17 PolarHBondContact O-N 3.04Å; L14-I17 PolarHBondContact O-N 2.96Å; D15-I17 VanDerWaalsContact C-N 3.29Å; D15-I17 PolarHBondContact O-N 3.12Å
18	C	40.1	Very low	45.5	Very low	89 Å²	89	119 Å²	119	60%	0.601	59%	0.591	S	S	*	*	H	α-helix	trans	-85.9	-27.4	176.5	-65.4	0	0	0	0	113.5	L14 D15 G20	L14-C18 PolarHBondContact O-N 3.45Å; L14-C18 VanDerWaalsContact O-N 3.14Å; D15-C18 PolarHBondContact O-N 3.37Å; C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.18Å
19	E	36	Very low	46.1	Very low	166 Å²	166	118 Å²	118	78%	0.776	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-13.6	174.9	-75.7	178.9	165.7	0	0	113.9	D15	D15-E19 WeakPolarHBondContact O-CG 3.13Å; D15-E19 PolarHBondContact O-N 2.93Å
20	G	35.3	Very low	46.9	Very low	63 Å²	63	116.3 Å²	116.3	65%	0.649	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-1.8	-178	0	0	0	0	0	115.8	C18 R22	C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.18Å; G20-R22 PolarHBondContact O-N 2.98Å
21	I	40.8	Very low	47.9	Very low	129 Å²	129	115.8 Å²	115.8	66%	0.662	59%	0.588	S	S	*	*			trans	-90.1	94.2	-178.3	-54.3	176	0	0	0	108.2
22	R	43.8	Very low	49.1	Very low	64 Å²	64	112.2 Å²	112.2	24%	0.242	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-52.8	126.9	166.9	-169.9	-178.7	-175.9	-169.2	1.8	107.4	G20 Q24 F95 K96 L98 L119	G20-R22 PolarHBondContact O-N 2.98Å; R22-Q24 PolarHBondContact O-N 3.04Å; R22-F95 PolarHBondContact NH2-O 2.9Å; R22-K96 PolarHBondContact NE-O 3.44Å; R22-K96 PolarHBondContact NH2-O 3.32Å; R22-L98 PolarHBondContact NH2-O 2.75Å; R22-L119 PolarHBondContact NH1-O 3.27Å; R22-L119 VanDerWaalsContact NH1-O 3.09Å
23	P	44.4	Very low	51.2	Low	111 Å²	111	111.6 Å²	111.6	72%	0.721	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-52.4	132.2	169.6	-20	29.5	0	0	0	107.8	I25	P23-I25 PolarHBondContact O-N 3.39Å; P23-I25 VanDerWaalsContact O-N 3.13Å
24	Q	51.2	Low	53.7	Low	115 Å²	115	102.7 Å²	102.7	54%	0.537	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-48.9	127.8	175.4	-75.2	-172.9	-36.1	0	0	108.4	R22 M26 S365	R22-Q24 PolarHBondContact O-N 3.04Å; Q24-M26 PolarHBondContact O-N 3.07Å; Q24-S365 VanDerWaalsContact CD-OG 3.29Å; Q24-S365 PolarHBondContact NE2-OG 2.8Å; Q24-S365 PolarHBondContact OE1-OG 3.12Å
25	I	57.1	Low	56.3	Low	47 Å²	47	98.7 Å²	98.7	24%	0.241	53%	0.527	C	S	.	.			trans	-68.5	92.8	178.4	-46.1	172.4	0	0	0	107	P23 L98 R99	P23-I25 PolarHBondContact O-N 3.39Å; P23-I25 VanDerWaalsContact O-N 3.13Å; I25-L98 WeakPolarHBondContact CD1-O 3.45Å; I25-R99 HydrophobicContact CB-CG 4.48Å; I25-R99 HydrophobicContact CD1-CG 4.13Å; I25-R99 HydrophobicContact CG2-CG 3.52Å
26	M	51.1	Low	59.1	Low	156 Å²	156	94.3 Å²	94.3	77%	0.768	50%	0.504	S	S	*	.			trans	-63.1	142.8	178.9	-65.1	-175.8	73	0	0	108.4	Q24 G28	Q24-M26 PolarHBondContact O-N 3.07Å; M26-G28 PolarHBondContact O-N 2.8Å
27	N	60	Low	61.8	Low	89 Å²	89	84.7 Å²	84.7	48%	0.476	47%	0.467	S	S	.	.	S	Bend	trans	-66.4	59.7	166.9	-77.2	-26.4	0	0	0	110	R99 I349	N27-R99 PolarHBondContact OD1-NH2 3.33Å; N27-I349 PolarHBondContact ND2-O 3.37Å
28	G	55.8	Low	64.5	Low	35 Å²	35	79.3 Å²	79.3	36%	0.361	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-91	169.3	178.8	0	0	0	0	0	112.5	M26 L30	M26-G28 PolarHBondContact O-N 2.8Å; G28-L30 PolarHBondContact O-N 2.95Å
29	P	58	Low	67.3	Low	140 Å²	140	75.1 Å²	75.1	91%	0.909	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-58.2	126.3	178.2	22.4	-30.3	0	0	0	110.4
30	L	64.1	Low	70.3	Confident	55 Å²	55	67.8 Å²	67.8	29%	0.288	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-73.1	151.6	176.6	-78.4	155.7	0	0	0	110.5	G28 P34 V77 I345	G28-L30 PolarHBondContact O-N 2.95Å; L30-P34 HydrophobicContact CD2-CB 4.37Å; L30-V77 HydrophobicContact CD2-CB 4.24Å; L30-V77 HydrophobicContact CD2-CG1 3.4Å; L30-V77 VanDerWaalsContact CD2-CG1 3.4Å; L30-V77 HydrophobicContact CD2-CG2 3.87Å; L30-I345 HydrophobicContact CD1-CG2 4.26Å
31	H	68.2	Low	73.2	Confident	138 Å²	138	65.2 Å²	65.2	64%	0.639	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-50.5	144.1	168.8	-168.2	-93.2	0	0	0	109.5	R33 P34	H31-R33 PolarHBondContact ND1-O 3.33Å; H31-R33 PolarHBondContact O-N 3.42Å; H31-P34 VanDerWaalsContact O-CD 3.24Å; H31-P34 WeakPolarHBondContact O-CD 3.39Å
32	P	70.8	Confident	75.8	Confident	114 Å²	114	66.9 Å²	66.9	74%	0.74	35%	0.349	S	S	*	.	S	Bend	trans	-54.9	-21.7	-172.6	14.3	-29.7	0	0	0	115
33	R	90.8	Very high	78.4	Confident	128 Å²	128	67.1 Å²	67.1	48%	0.483	36%	0.355	S	S	.	.	S	Bend	trans	-139.2	94.8	166	-62.7	-172.5	74.1	178.8	3.7	109	H31 K52 A55	H31-R33 PolarHBondContact ND1-O 3.33Å; H31-R33 PolarHBondContact O-N 3.42Å; R33-K52 PolarHBondContact NH2-O 2.85Å; R33-K52 VanDerWaalsContact NH2-O 3.13Å; R33-A55 PolarHBondContact NH2-O 3.42Å
34	P	95.5	Very high	80.9	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.032	33%	0.327	C	S	.	.			trans	-64.7	149.4	174.8	28	-36.2	0	0	0	111.2	L30 H31 L54 A55 T56 V77 I345	L30-P34 HydrophobicContact CD2-CB 4.37Å; H31-P34 VanDerWaalsContact O-CD 3.24Å; H31-P34 WeakPolarHBondContact O-CD 3.39Å; P34-L54 VanDerWaalsContact CD-O 3.31Å; P34-L54 WeakPolarHBondContact CD-O 3.48Å; P34-A55 HydrophobicContact CG-CB 4.37Å; P34-A55 WeakPolarHBondContact O-CA 3.1Å; P34-A55 WeakPolarHBondContact O-CB 3.3Å; P34-T56 PolarHBondContact O-N 3.28Å; P34-V77 HydrophobicContact CB-CB 3.91Å; P34-V77 HydrophobicContact CB-CG1 4.36Å; P34-V77 HydrophobicContact CB-CG2 3.74Å; P34-I345 HydrophobicContact CG-CD1 3.97Å; P34-I345 HydrophobicContact CG-CG1 4.24Å; P34-I345 HydrophobicContact CG-CG2 4.09Å
35	L	97.4	Very high	83.1	Confident	22 Å²	22	62.1 Å²	62.1	12%	0.115	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.5	173	177.1	64.2	0	0	0	110	T56 A58 V72 E75 A76 V77 G78	L35-T56 WeakPolarHBondContact CA-O 3.45Å; L35-T56 HydrophobicContact CD1-CG2 4.31Å; L35-A58 HydrophobicContact CD1-CB 3.95Å; L35-V72 HydrophobicContact CD2-CG2 4.32Å; L35-E75 HydrophobicContact CD2-CB 4.18Å; L35-A76 HydrophobicContact CD2-CB 4.22Å; L35-A76 HydrophobicContact CG-CB 4.3Å; L35-V77 PolarHBondContact O-N 3.42Å; L35-G78 PolarHBondContact O-N 2.94Å
36	V	98.2	Very high	85	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.5	170.5	177.2	0	0	0	0	108.2	L51 A55 T56 V57 A58 G78 M80 I341 I345	V36-L51 HydrophobicContact CG1-CD1 4.29Å; V36-A55 HydrophobicContact CG2-CB 3.76Å; V36-T56 PolarHBondContact N-O 2.92Å; V36-V57 WeakPolarHBondContact O-CA 3.48Å; V36-A58 PolarHBondContact O-N 3.44Å; V36-G78 VanDerWaalsContact CA-O 3.28Å; V36-G78 WeakPolarHBondContact CA-O 3.47Å; V36-M80 HydrophobicContact CG1-CE 4.01Å; V36-I341 HydrophobicContact CB-CG2 4.45Å; V36-I341 HydrophobicContact CG1-CD1 4.46Å; V36-I341 HydrophobicContact CG1-CG1 4.39Å; V36-I341 HydrophobicContact CG1-CG2 3.92Å; V36-I341 HydrophobicContact CG2-CG2 3.66Å; V36-I345 HydrophobicContact CG2-CD1 3.88Å
37	A	98.3	Very high	87.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131	-177.1	0	0	0	0	0	112.2	L39 A58 V72 A76 G78 A79 M80	A37-L39 HydrophobicContact CB-CD2 4.02Å; A37-A58 CarbonylContact C-O 3.56Å; A37-A58 WeakPolarHBondContact CA-O 3.28Å; A37-V72 HydrophobicContact CB-CG1 3.57Å; A37-V72 HydrophobicContact CB-CG2 4.43Å; A37-A76 HydrophobicContact CB-CB 4.48Å; A37-G78 PolarHBondContact N-O 3.34Å; A37-A79 CarbonylContact O-C 3.53Å; A37-A79 VanDerWaalsContact O-CA 3.28Å; A37-A79 WeakPolarHBondContact O-CA 3.22Å; A37-M80 PolarHBondContact O-N 3.33Å
38	L	98.5	Very high	89	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	113	160.2	-179.1	63.6	0	0	0	108.2	D43 C44 A58 F59 C60 M80 Y82 I104	L38-D43 VanDerWaalsContact CD2-O 3.26Å; L38-D43 WeakPolarHBondContact CD2-O 3.24Å; L38-C44 VanDerWaalsContact CD2-SG 3.6Å; L38-A58 PolarHBondContact N-O 3.34Å; L38-F59 HydrophobicContact CB-CB 4.15Å; L38-F59 CarbonylContact O-C 3.16Å; L38-F59 VanDerWaalsContact O-CA 3.31Å; L38-F59 WeakPolarHBondContact O-CA 3.21Å; L38-C60 PolarHBondContact O-N 3.09Å; L38-M80 CarbonylContact C-O 3.6Å; L38-M80 WeakPolarHBondContact CA-O 3.32Å; L38-M80 HydrophobicContact CD1-CB 4.02Å; L38-Y82 HydrophobicContact CD1-CD2 4.35Å; L38-Y82 HydrophobicContact CD1-CE2 3.87Å; L38-Y82 HydrophobicContact CD2-CE2 4.46Å; L38-I104 HydrophobicContact CD1-CD1 3.86Å
39	L	98.5	Very high	91	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-75.5	-56.5	-168.5	-57.9	-172.7	0	0	0	112.4	A37 C60 D61 A62 I68 V72 A79 M80 M81 I85 L87 F95	A37-L39 HydrophobicContact CB-CD2 4.02Å; L39-C60 WeakPolarHBondContact O-CB 3.49Å; L39-D61 PolarHBondContact O-N 3.22Å; L39-A62 PolarHBondContact O-N 3.05Å; L39-I68 HydrophobicContact CD1-CD1 4.46Å; L39-I68 HydrophobicContact CD2-CD1 4.22Å; L39-V72 HydrophobicContact CD2-CG1 4.46Å; L39-A79 HydrophobicContact CD1-CB 4.12Å; L39-A79 HydrophobicContact CD2-CB 4.18Å; L39-A79 HydrophobicContact CG-CB 4.13Å; L39-M80 PolarHBondContact N-O 2.84Å; L39-M81 HydrophobicContact CB-CB 4.16Å; L39-M81 HydrophobicContact CD1-CB 4.21Å; L39-M81 HydrophobicContact CD1-SD 4.2Å; L39-M81 HydrophobicContact CG-CB 4.31Å; L39-I85 HydrophobicContact CB-CD1 4.45Å; L39-I85 HydrophobicContact CB-CG2 4.34Å; L39-L87 HydrophobicContact CD1-CD1 4.08Å; L39-F95 HydrophobicContact CD1-CZ 4.38Å; L39-F95 HydrophobicContact CD2-CZ 4.48Å
40	D	98.1	Very high	92.9	Very high	12 Å²	12	50 Å²	50	6%	0.064	26%	0.257	C	S	.	.	S	Bend	trans	-112.4	31.3	-169.6	61	-22.2	0	0	0	112.3	A62 M81 Y82 T84 I85	D40-A62 WeakPolarHBondContact CA-O 3.35Å; D40-A62 WeakPolarHBondContact CB-O 3.32Å; D40-M81 WeakPolarHBondContact OD1-CA 3.36Å; D40-Y82 VanDerWaalsContact CG-N 3.28Å; D40-Y82 PolarHBondContact OD1-N 2.68Å; D40-Y82 VanDerWaalsContact OD2-CA 3.27Å; D40-Y82 WeakPolarHBondContact OD2-CA 3.2Å; D40-Y82 VanDerWaalsContact OD2-CB 3.3Å; D40-Y82 WeakPolarHBondContact OD2-CB 3.49Å; D40-Y82 PolarHBondContact OD2-N 2.95Å; D40-T84 WeakPolarHBondContact CB-OG1 3.34Å; D40-T84 PolarHBondContact OD2-N 3.29Å; D40-T84 PolarHBondContact OD2-OG1 2.84Å; D40-T84 VanDerWaalsContact OD2-OG1 3.07Å; D40-I85 HydrophobicContact CB-CB 3.92Å; D40-I85 HydrophobicContact CB-CG2 3.74Å; D40-I85 PolarHBondContact OD2-N 3.19Å
41	G	96.3	Very high	94.5	Very high	9 Å²	9	47.4 Å²	47.4	9%	0.093	24%	0.244	C	C	.	.			trans	-141.2	163.7	175.5	0	0	0	0	0	111.7	F59 D61	G41-F59 WeakPolarHBondContact O-CB 3.42Å; G41-D61 PolarHBondContact O-N 3.14Å
42	R	96.5	Very high	95.8	Very high	165 Å²	165	46.9 Å²	46.9	62%	0.623	24%	0.239	S	C	*	.	S	Bend	trans	-112.1	-27.4	-179.8	-164.1	-175.4	-55.7	146.1	11	113.5	F59 D61	R42-F59 HydrophobicContact CB-CD2 4.43Å; R42-F59 HydrophobicContact CG-CD2 4.08Å; R42-F59 HydrophobicContact CG-CE2 3.7Å; R42-F59 HydrophobicContact CG-CZ 4.15Å; R42-F59 WeakPolarHBondContact O-CD1 3.46Å; R42-D61 HydrophobicContact CB-CB 4.47Å; R42-D61 IonicContact CZ-OD2 3.7Å; R42-D61 IonicContact NE-OD1 3.96Å; R42-D61 IonicContact NE-OD2 2.83Å; R42-D61 PolarHBondContact NE-OD2 3.03Å; R42-D61 IonicContact NH2-OD1 3.13Å; R42-D61 IonicContact NH2-OD2 3.78Å; R42-D61 PolarHBondContact NH2-OD2 3.2Å
43	D	96.8	Very high	97	Very high	69 Å²	69	46 Å²	46	37%	0.369	23%	0.229	S	C	.	.			trans	-93.9	116.9	-177	177.1	9	0	0	0	110.4	L38 T45 R334	L38-D43 VanDerWaalsContact CD2-O 3.26Å; L38-D43 WeakPolarHBondContact CD2-O 3.24Å; D43-T45 VanDerWaalsContact OD1-CB 3.24Å; D43-T45 WeakPolarHBondContact OD1-CB 3.4Å; D43-T45 VanDerWaalsContact OD1-CG2 3.22Å; D43-T45 WeakPolarHBondContact OD1-CG2 3.48Å; D43-T45 PolarHBondContact OD1-N 3.45Å; D43-T45 PolarHBondContact OD1-OG1 3.31Å; D43-T45 PolarHBondContact OD2-OG1 3.31Å; D43-R334 PolarHBondContact O-NH2 3.1Å; D43-R334 IonicContact OD1-NH1 3.9Å; D43-R334 IonicContact OD1-NH2 2.78Å; D43-R334 PolarHBondContact OD1-NH2 2.87Å; D43-R334 IonicContact OD2-CZ 2.77Å; D43-R334 IonicContact OD2-NH1 3.73Å; D43-R334 PolarHBondContact OD2-NH1 3.41Å; D43-R334 IonicContact OD2-NH2 2.79Å; D43-R334 PolarHBondContact OD2-NH2 3.49Å
44	C	96.8	Very high	97.2	Very high	20 Å²	20	41.9 Å²	41.9	14%	0.135	22%	0.216	C	C	.	.			trans	-113.9	16.9	173	-69.9	0	0	0	0	113.1	L38 V46 E47 M48 V57	L38-C44 VanDerWaalsContact CD2-SG 3.6Å; C44-V46 VanDerWaalsContact C-N 3.28Å; C44-V46 PolarHBondContact O-N 2.71Å; C44-E47 VanDerWaalsContact C-OE2 3.27Å; C44-E47 VanDerWaalsContact CA-OE2 3.25Å; C44-E47 WeakPolarHBondContact CA-OE2 3.41Å; C44-E47 PolarHBondContact O-N 3.48Å; C44-M48 WeakPolarHBondContact O-CB 3.12Å; C44-M48 PolarHBondContact O-N 3.14Å; C44-V57 HydrophobicContact CB-CG1 4.09Å
45	T	97.6	Very high	97.3	Very high	101 Å²	101	41.7 Å²	41.7	62%	0.62	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.5	-172.6	55.5	0	0	0	0	113.8	D43 P49	D43-T45 VanDerWaalsContact OD1-CB 3.24Å; D43-T45 WeakPolarHBondContact OD1-CB 3.4Å; D43-T45 VanDerWaalsContact OD1-CG2 3.22Å; D43-T45 WeakPolarHBondContact OD1-CG2 3.48Å; D43-T45 PolarHBondContact OD1-N 3.45Å; D43-T45 PolarHBondContact OD1-OG1 3.31Å; D43-T45 PolarHBondContact OD2-OG1 3.31Å; T45-P49 WeakPolarHBondContact O-CD 3.47Å; T45-P49 WeakPolarHBondContact O-CG 3.35Å
46	V	98.3	Very high	97.2	Very high	24 Å²	24	43.4 Å²	43.4	15%	0.145	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-43.7	176.7	177.1	0	0	0	0	111.1	C44 P49 I50 L331 R334 E335	C44-V46 VanDerWaalsContact C-N 3.28Å; C44-V46 PolarHBondContact O-N 2.71Å; V46-P49 WeakPolarHBondContact O-CD 3.21Å; V46-I50 WeakPolarHBondContact O-CD1 3.46Å; V46-L331 HydrophobicContact CG1-CD1 3.84Å; V46-L331 HydrophobicContact CG2-CD1 3.82Å; V46-R334 HydrophobicContact CB-CB 4.05Å; V46-R334 HydrophobicContact CG1-CB 3.68Å; V46-E335 HydrophobicContact CG1-CG 3.63Å
47	E	98.5	Very high	97.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-76.9	-35	-173.3	-58.7	82.5	177.7	0	0	111.9	C44 I50 L51 M80 R334 A338	C44-E47 VanDerWaalsContact C-OE2 3.27Å; C44-E47 VanDerWaalsContact CA-OE2 3.25Å; C44-E47 WeakPolarHBondContact CA-OE2 3.41Å; C44-E47 PolarHBondContact O-N 3.48Å; E47-I50 PolarHBondContact O-N 3Å; E47-I50 VanDerWaalsContact O-N 3.15Å; E47-L51 PolarHBondContact O-N 2.78Å; E47-L51 VanDerWaalsContact O-N 3.08Å; E47-M80 HydrophobicContact CB-CE 3.92Å; E47-M80 HydrophobicContact CG-CE 3.72Å; E47-M80 HydrophobicContact CG-SD 3.93Å; E47-R334 WeakPolarHBondContact OE1-CB 3.46Å; E47-R334 WeakPolarHBondContact OE1-CG 3.42Å; E47-R334 IonicContact OE1-CZ 3.64Å; E47-R334 IonicContact OE1-NE 3.69Å; E47-R334 PolarHBondContact OE1-NE 3.48Å; E47-R334 IonicContact OE1-NH2 3.86Å; E47-R334 PolarHBondContact OE1-NH2 2.93Å; E47-R334 IonicContact OE2-CZ 2.77Å; E47-R334 IonicContact OE2-NE 2.75Å; E47-R334 PolarHBondContact OE2-NE 3.19Å; E47-R334 IonicContact OE2-NH2 3.88Å; E47-R334 PolarHBondContact OE2-NH2 3.29Å; E47-A338 HydrophobicContact CB-CB 3.98Å; E47-A338 HydrophobicContact CG-CB 4.01Å
48	M	97	Very high	97.1	Very high	75 Å²	75	46 Å²	46	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-60.6	-48.1	-175.2	-175.1	64.8	174.8	0	0	112.7	C44 I50 L51 K52 V57	C44-M48 WeakPolarHBondContact O-CB 3.12Å; C44-M48 PolarHBondContact O-N 3.14Å; M48-I50 PolarHBondContact O-N 3.21Å; M48-L51 PolarHBondContact O-N 2.82Å; M48-K52 HydrophobicContact CE-CB 4.37Å; M48-K52 WeakPolarHBondContact O-CA 3.3Å; M48-K52 WeakPolarHBondContact O-CB 3.19Å; M48-K52 PolarHBondContact O-N 2.81Å; M48-V57 HydrophobicContact SD-CB 3.65Å; M48-V57 HydrophobicContact SD-CG2 3.82Å
49	P	97.5	Very high	97	Very high	76 Å²	76	51.2 Å²	51.2	49%	0.494	27%	0.268	S	S	.	.	H	α-helix	trans	-57.6	-30.6	175.1	-26.5	35.5	0	0	0	114.9	T45 V46	T45-P49 WeakPolarHBondContact O-CD 3.47Å; T45-P49 WeakPolarHBondContact O-CG 3.35Å; V46-P49 WeakPolarHBondContact O-CD 3.21Å
50	I	98	Very high	96.9	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.195	28%	0.278	C	S	.	.	H	α-helix	trans	-80.8	-30.7	-176.9	-61.4	170.4	0	0	0	111.8	V46 E47 M48 E335 A338 R342	V46-I50 WeakPolarHBondContact O-CD1 3.46Å; E47-I50 PolarHBondContact O-N 3Å; E47-I50 VanDerWaalsContact O-N 3.15Å; M48-I50 PolarHBondContact O-N 3.21Å; I50-E335 HydrophobicContact CD1-CB 4.06Å; I50-E335 HydrophobicContact CD1-CG 4.01Å; I50-A338 HydrophobicContact CB-CB 3.96Å; I50-A338 HydrophobicContact CD1-CB 3.84Å; I50-A338 HydrophobicContact CG2-CB 3.81Å; I50-R342 PolarHBondContact O-NH1 2.71Å
51	L	97.7	Very high	96.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-108.9	-13.4	-173.3	-68	174.8	0	0	0	114.3	V36 E47 M48 D53 L54 A55 V57 M80 A338 I341 R342	V36-L51 HydrophobicContact CG1-CD1 4.29Å; E47-L51 PolarHBondContact O-N 2.78Å; E47-L51 VanDerWaalsContact O-N 3.08Å; M48-L51 PolarHBondContact O-N 2.82Å; L51-D53 PolarHBondContact O-N 3.17Å; L51-D53 VanDerWaalsContact O-N 3.08Å; L51-L54 PolarHBondContact O-N 3.5Å; L51-A55 PolarHBondContact O-N 3.1Å; L51-V57 HydrophobicContact CB-CG2 3.66Å; L51-V57 HydrophobicContact CD1-CG2 3.94Å; L51-V57 HydrophobicContact CG-CG2 4.46Å; L51-M80 HydrophobicContact CD1-CE 4.49Å; L51-A338 HydrophobicContact CD1-CB 4.25Å; L51-A338 WeakPolarHBondContact CD2-O 3.48Å; L51-A338 HydrophobicContact CG-CB 4.29Å; L51-I341 HydrophobicContact CD1-CB 4.28Å; L51-I341 HydrophobicContact CD1-CG2 3.96Å; L51-I341 HydrophobicContact CD2-CB 4.25Å; L51-I341 HydrophobicContact CD2-CG2 3.87Å; L51-R342 HydrophobicContact CD2-CB 3.97Å
52	K	95.1	Very high	96.8	Very high	126 Å²	126	54.5 Å²	54.5	55%	0.548	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.4	-172	62.4	-179.9	179.7	-177.5	0	114.9	R33 M48 L54	R33-K52 PolarHBondContact NH2-O 2.85Å; R33-K52 VanDerWaalsContact NH2-O 3.13Å; M48-K52 HydrophobicContact CE-CB 4.37Å; M48-K52 WeakPolarHBondContact O-CA 3.3Å; M48-K52 WeakPolarHBondContact O-CB 3.19Å; M48-K52 PolarHBondContact O-N 2.81Å; K52-L54 VanDerWaalsContact C-N 3.32Å
53	D	95.5	Very high	96.8	Very high	96 Å²	96	52 Å²	52	51%	0.513	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.8	-179.9	62.5	-42.7	0	0	0	112.9	L51 R342	L51-D53 PolarHBondContact O-N 3.17Å; L51-D53 VanDerWaalsContact O-N 3.08Å; D53-R342 VanDerWaalsContact CG-NH1 3.29Å; D53-R342 IonicContact OD1-CZ 3.2Å; D53-R342 IonicContact OD1-NH1 2.84Å; D53-R342 PolarHBondContact OD1-NH1 3.1Å; D53-R342 IonicContact OD2-CZ 3.68Å; D53-R342 IonicContact OD2-NH1 3.41Å; D53-R342 PolarHBondContact OD2-NH1 3.28Å; D53-R342 IonicContact OD2-NH2 2.67Å; D53-R342 PolarHBondContact OD2-NH2 3.25Å
54	L	95.2	Very high	96.7	Very high	42 Å²	42	50.4 Å²	50.4	22%	0.22	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-34.6	-174	-65.7	173.7	0	0	0	113.6	P34 L51 K52 R342 T346	P34-L54 VanDerWaalsContact CD-O 3.31Å; P34-L54 WeakPolarHBondContact CD-O 3.48Å; L51-L54 PolarHBondContact O-N 3.5Å; K52-L54 VanDerWaalsContact C-N 3.32Å; L54-R342 HydrophobicContact CD1-CG 3.7Å; L54-R342 VanDerWaalsContact CD1-CZ 3.47Å; L54-T346 HydrophobicContact CD1-CG2 3.62Å; L54-T346 HydrophobicContact CD2-CG2 4.4Å
55	A	96.7	Very high	96.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.			trans	-131.6	162.5	-169.9	0	0	0	0	0	112.3	R33 P34 V36 L51 I345	R33-A55 PolarHBondContact NH2-O 3.42Å; P34-A55 HydrophobicContact CG-CB 4.37Å; P34-A55 WeakPolarHBondContact O-CA 3.1Å; P34-A55 WeakPolarHBondContact O-CB 3.3Å; V36-A55 HydrophobicContact CG2-CB 3.76Å; L51-A55 PolarHBondContact O-N 3.1Å; A55-I345 HydrophobicContact CB-CD1 3.96Å
56	T	96.8	Very high	96.5	Very high	59 Å²	59	51.9 Å²	51.9	36%	0.362	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.3	160.5	-66.9	0	0	0	0	107.4	P34 L35 V36	P34-T56 PolarHBondContact O-N 3.28Å; L35-T56 WeakPolarHBondContact CA-O 3.45Å; L35-T56 HydrophobicContact CD1-CG2 4.31Å; V36-T56 PolarHBondContact N-O 2.92Å
57	V	96.9	Very high	96.5	Very high	20 Å²	20	56.2 Å²	56.2	12%	0.121	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.4	176.2	-173.1	0	0	0	0	109.1	V36 C44 M48 L51	V36-V57 WeakPolarHBondContact O-CA 3.48Å; C44-V57 HydrophobicContact CB-CG1 4.09Å; M48-V57 HydrophobicContact SD-CB 3.65Å; M48-V57 HydrophobicContact SD-CG2 3.82Å; L51-V57 HydrophobicContact CB-CG2 3.66Å; L51-V57 HydrophobicContact CD1-CG2 3.94Å; L51-V57 HydrophobicContact CG-CG2 4.46Å
58	A	96.1	Very high	96.4	Very high	33 Å²	33	56.6 Å²	56.6	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	164.2	173.5	0	0	0	0	0	110	L35 V36 A37 L38	L35-A58 HydrophobicContact CD1-CB 3.95Å; V36-A58 PolarHBondContact O-N 3.44Å; A37-A58 CarbonylContact C-O 3.56Å; A37-A58 WeakPolarHBondContact CA-O 3.28Å; L38-A58 PolarHBondContact N-O 3.34Å
59	F	96.9	Very high	96.4	Very high	111 Å²	111	59.2 Å²	59.2	49%	0.487	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.3	172.2	69.1	-95.1	0	0	0	110	L38 G41 R42 D61	L38-F59 HydrophobicContact CB-CB 4.15Å; L38-F59 CarbonylContact O-C 3.16Å; L38-F59 VanDerWaalsContact O-CA 3.31Å; L38-F59 WeakPolarHBondContact O-CA 3.21Å; G41-F59 WeakPolarHBondContact O-CB 3.42Å; R42-F59 HydrophobicContact CB-CD2 4.43Å; R42-F59 HydrophobicContact CG-CD2 4.08Å; R42-F59 HydrophobicContact CG-CE2 3.7Å; R42-F59 HydrophobicContact CG-CZ 4.15Å; R42-F59 WeakPolarHBondContact O-CD1 3.46Å; F59-D61 HydrophobicContact CD2-CB 4.36Å
60	C	96.3	Very high	96.3	Very high	31 Å²	31	62.1 Å²	62.1	21%	0.209	31%	0.312	C	S	.	.			trans	-110.6	-30.4	178.9	-44.1	0	0	0	0	112.7	L38 L39 A62	L38-C60 PolarHBondContact O-N 3.09Å; L39-C60 WeakPolarHBondContact O-CB 3.49Å; C60-A62 HydrophobicContact CB-CB 4Å; C60-A62 PolarHBondContact O-N 2.97Å
61	D	96.8	Very high	96.2	Very high	58 Å²	58	65.8 Å²	65.8	31%	0.31	33%	0.327	S	S	.	.			trans	54.3	35.6	-171.4	-157.3	30.4	0	0	0	112.4	L39 G41 R42 F59	L39-D61 PolarHBondContact O-N 3.22Å; G41-D61 PolarHBondContact O-N 3.14Å; R42-D61 HydrophobicContact CB-CB 4.47Å; R42-D61 IonicContact CZ-OD2 3.7Å; R42-D61 IonicContact NE-OD1 3.96Å; R42-D61 IonicContact NE-OD2 2.83Å; R42-D61 PolarHBondContact NE-OD2 3.03Å; R42-D61 IonicContact NH2-OD1 3.13Å; R42-D61 IonicContact NH2-OD2 3.78Å; R42-D61 PolarHBondContact NH2-OD2 3.2Å; F59-D61 HydrophobicContact CD2-CB 4.36Å
62	A	97	Very high	96.2	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.008	33%	0.33	C	S	.	.			trans	-92.9	131	-173.3	0	0	0	0	0	111.4	L39 D40 C60 E67 I68	L39-A62 PolarHBondContact O-N 3.05Å; D40-A62 WeakPolarHBondContact CA-O 3.35Å; D40-A62 WeakPolarHBondContact CB-O 3.32Å; C60-A62 HydrophobicContact CB-CB 4Å; C60-A62 PolarHBondContact O-N 2.97Å; A62-E67 WeakPolarHBondContact CA-OE2 3.43Å; A62-E67 HydrophobicContact CB-CB 3.81Å; A62-I68 HydrophobicContact CB-CG1 3.88Å
63	Q	94.9	Very high	96.3	Very high	112 Å²	112	61.6 Å²	61.6	52%	0.523	31%	0.311	S	S	.	.	S	Bend	trans	-93.1	-11.1	173.2	-58.3	-64.7	28.4	0	0	112.9	E67 T84	Q63-E67 PolarHBondContact N-OE2 3.39Å; Q63-T84 PolarHBondContact OE1-OG1 2.87Å
64	S	95.8	Very high	96.4	Very high	35 Å²	35	60.3 Å²	60.3	25%	0.245	30%	0.304	C	S	.	.	S	Bend	trans	-148.3	161.7	172.5	80.9	0	0	0	0	111.5	Q66 E67	S64-Q66 PolarHBondContact O-N 3.5Å; S64-Q66 VanDerWaalsContact O-N 3.12Å; S64-Q66 PolarHBondContact OG-N 3.03Å; S64-Q66 PolarHBondContact OG-OE1 3.27Å; S64-E67 PolarHBondContact O-N 3.42Å
65	T	94.4	Very high	96.4	Very high	6 Å²	6	63.2 Å²	63.2	4%	0.037	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60.3	-23.8	178.4	-44.2	0	0	0	0	112.9	E67 I68 D91 K94	T65-E67 PolarHBondContact O-N 2.82Å; T65-I68 HydrophobicContact CG2-CD1 4.18Å; T65-I68 PolarHBondContact O-N 2.96Å; T65-D91 WeakPolarHBondContact CB-OD1 3.47Å; T65-D91 HydrophobicContact CG2-CB 3.85Å; T65-D91 WeakPolarHBondContact CG2-OD1 3.31Å; T65-D91 WeakPolarHBondContact OG1-CB 3.47Å; T65-D91 PolarHBondContact OG1-OD1 2.94Å; T65-K94 HydrophobicContact CG2-CD 3.74Å
66	Q	96.2	Very high	96.5	Very high	146 Å²	146	63.2 Å²	63.2	68%	0.682	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-67.9	-23.8	176.6	-65.7	82.8	8.5	0	0	113.2	S64	S64-Q66 PolarHBondContact O-N 3.5Å; S64-Q66 VanDerWaalsContact O-N 3.12Å; S64-Q66 PolarHBondContact OG-N 3.03Å; S64-Q66 PolarHBondContact OG-OE1 3.27Å
67	E	97	Very high	96.5	Very high	116 Å²	116	61.2 Å²	61.2	54%	0.542	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-87.6	-10.3	-179.9	-63.8	174.7	179.1	0	0	112.4	A62 Q63 S64 T65 H69	A62-E67 WeakPolarHBondContact CA-OE2 3.43Å; A62-E67 HydrophobicContact CB-CB 3.81Å; Q63-E67 PolarHBondContact N-OE2 3.39Å; S64-E67 PolarHBondContact O-N 3.42Å; T65-E67 PolarHBondContact O-N 2.82Å; E67-H69 PolarHBondContact O-N 3.37Å
68	I	96.8	Very high	96.6	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.041	30%	0.299	C	S	.	.	S	Bend	trans	-72.8	120.9	179.1	-57.3	178.6	0	0	0	109.6	L39 A62 T65 V72 L73 I85 F95	L39-I68 HydrophobicContact CD1-CD1 4.46Å; L39-I68 HydrophobicContact CD2-CD1 4.22Å; A62-I68 HydrophobicContact CB-CG1 3.88Å; T65-I68 HydrophobicContact CG2-CD1 4.18Å; T65-I68 PolarHBondContact O-N 2.96Å; I68-V72 HydrophobicContact CG2-CB 3.76Å; I68-V72 HydrophobicContact CG2-CG1 3.65Å; I68-L73 HydrophobicContact CB-CD2 4.15Å; I68-L73 HydrophobicContact CB-CG 4.33Å; I68-L73 HydrophobicContact CG2-CD2 3.78Å; I68-L73 HydrophobicContact CG2-CG 3.87Å; I68-I85 HydrophobicContact CD1-CD1 4.06Å; I68-F95 HydrophobicContact CD1-CZ 3.92Å
69	H	96	Very high	96.7	Very high	130 Å²	130	58.8 Å²	58.8	60%	0.602	29%	0.286	S	S	*	.			trans	-58.5	139.8	179.9	-171.2	-81.6	0	0	0	112	E67 K71 V72 L73	E67-H69 PolarHBondContact O-N 3.37Å; H69-K71 VanDerWaalsContact ND1-CB 3.3Å; H69-K71 WeakPolarHBondContact ND1-CB 3.18Å; H69-K71 PolarHBondContact ND1-N 3.01Å; H69-K71 VanDerWaalsContact ND1-N 3.1Å; H69-K71 PolarHBondContact O-N 3.19Å; H69-K71 VanDerWaalsContact O-N 3.1Å; H69-V72 WeakPolarHBondContact O-CA 3.12Å; H69-V72 WeakPolarHBondContact O-CB 3.43Å; H69-V72 PolarHBondContact O-N 3.4Å; H69-L73 PolarHBondContact O-N 3.01Å
70	E	96.5	Very high	96.8	Very high	137 Å²	137	53.5 Å²	53.5	64%	0.64	26%	0.263	S	S	*	.	H	α-helix	trans	-52.6	-39.8	-175.8	-170.6	-175.3	171	0	0	113.1	V72 L73 N74	E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 3.21Å; E70-L73 PolarHBondContact O-N 3.43Å; E70-L73 VanDerWaalsContact O-N 3.17Å; E70-N74 WeakPolarHBondContact CG-ND2 3.19Å; E70-N74 WeakPolarHBondContact O-CB 3.31Å; E70-N74 PolarHBondContact O-N 3.39Å
71	K	96	Very high	96.9	Very high	115 Å²	115	52 Å²	52	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-53	-43.7	173.3	-170.4	176.4	-176.5	179.3	0	113.3	H69 N74 E75	H69-K71 VanDerWaalsContact ND1-CB 3.3Å; H69-K71 WeakPolarHBondContact ND1-CB 3.18Å; H69-K71 PolarHBondContact ND1-N 3.01Å; H69-K71 VanDerWaalsContact ND1-N 3.1Å; H69-K71 PolarHBondContact O-N 3.19Å; H69-K71 VanDerWaalsContact O-N 3.1Å; K71-N74 PolarHBondContact O-N 2.72Å; K71-E75 WeakPolarHBondContact CE-OE2 3.43Å; K71-E75 HydrophobicContact CG-CG 4.37Å; K71-E75 VanDerWaalsContact O-CB 3.3Å; K71-E75 WeakPolarHBondContact O-CB 3.46Å; K71-E75 PolarHBondContact O-N 3.29Å
72	V	97.2	Very high	97	Very high	12 Å²	12	51.2 Å²	51.2	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-45.2	178.5	173.1	0	0	0	0	109.9	L35 A37 L39 I68 H69 E70 N74 A76 F95	L35-V72 HydrophobicContact CD2-CG2 4.32Å; A37-V72 HydrophobicContact CB-CG1 3.57Å; A37-V72 HydrophobicContact CB-CG2 4.43Å; L39-V72 HydrophobicContact CD2-CG1 4.46Å; I68-V72 HydrophobicContact CG2-CB 3.76Å; I68-V72 HydrophobicContact CG2-CG1 3.65Å; H69-V72 WeakPolarHBondContact O-CA 3.12Å; H69-V72 WeakPolarHBondContact O-CB 3.43Å; H69-V72 PolarHBondContact O-N 3.4Å; E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 3.21Å; V72-N74 VanDerWaalsContact C-N 3.26Å; V72-N74 PolarHBondContact O-N 3.4Å; V72-A76 HydrophobicContact CG1-CB 3.92Å; V72-A76 WeakPolarHBondContact O-CB 3.35Å; V72-A76 PolarHBondContact O-N 3.15Å; V72-F95 HydrophobicContact CG1-CE1 4.41Å
73	L	97.2	Very high	97	Very high	26 Å²	26	53.9 Å²	53.9	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-38.1	176.8	-63.3	174.7	0	0	0	112.1	I68 H69 E70 K94 F95 K96	I68-L73 HydrophobicContact CB-CD2 4.15Å; I68-L73 HydrophobicContact CB-CG 4.33Å; I68-L73 HydrophobicContact CG2-CD2 3.78Å; I68-L73 HydrophobicContact CG2-CG 3.87Å; H69-L73 PolarHBondContact O-N 3.01Å; E70-L73 PolarHBondContact O-N 3.43Å; E70-L73 VanDerWaalsContact O-N 3.17Å; L73-K94 HydrophobicContact CD1-CB 4.46Å; L73-K94 HydrophobicContact CD2-CB 4.12Å; L73-F95 HydrophobicContact CD2-CD1 4.09Å; L73-F95 HydrophobicContact CD2-CD2 4.23Å; L73-F95 HydrophobicContact CD2-CE1 3.85Å; L73-F95 HydrophobicContact CD2-CE2 3.99Å; L73-F95 HydrophobicContact CD2-CG 4.29Å; L73-F95 HydrophobicContact CD2-CZ 3.8Å; L73-F95 CarbonylContact O-C 3.56Å; L73-F95 VanDerWaalsContact O-CA 3.29Å; L73-F95 WeakPolarHBondContact O-CA 3.38Å; L73-K96 PolarHBondContact O-N 2.85Å
74	N	97	Very high	97.1	Very high	68 Å²	68	51.5 Å²	51.5	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-81.9	-39.8	-177.7	-70.6	-20.4	0	0	0	113.6	E70 K71 V72 A97	E70-N74 WeakPolarHBondContact CG-ND2 3.19Å; E70-N74 WeakPolarHBondContact O-CB 3.31Å; E70-N74 PolarHBondContact O-N 3.39Å; K71-N74 PolarHBondContact O-N 2.72Å; V72-N74 VanDerWaalsContact C-N 3.26Å; V72-N74 PolarHBondContact O-N 3.4Å; N74-A97 WeakPolarHBondContact O-CB 3.47Å
75	E	96.9	Very high	97.2	Very high	103 Å²	103	49.9 Å²	49.9	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-112.9	-17.6	-165.8	-60.6	177.3	-156.4	0	0	114.9	L35 K71 V77	L35-E75 HydrophobicContact CD2-CB 4.18Å; K71-E75 WeakPolarHBondContact CE-OE2 3.43Å; K71-E75 HydrophobicContact CG-CG 4.37Å; K71-E75 VanDerWaalsContact O-CB 3.3Å; K71-E75 WeakPolarHBondContact O-CB 3.46Å; K71-E75 PolarHBondContact O-N 3.29Å; E75-V77 PolarHBondContact O-N 3Å
76	A	97.6	Very high	97.4	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	125.8	-175.8	0	0	0	0	0	111.1	L35 A37 V72 A97 L98	L35-A76 HydrophobicContact CD2-CB 4.22Å; L35-A76 HydrophobicContact CG-CB 4.3Å; A37-A76 HydrophobicContact CB-CB 4.48Å; V72-A76 HydrophobicContact CG1-CB 3.92Å; V72-A76 WeakPolarHBondContact O-CB 3.35Å; V72-A76 PolarHBondContact O-N 3.15Å; A76-A97 CarbonylContact O-C 3.06Å; A76-L98 WeakPolarHBondContact O-CA 3.23Å; A76-L98 PolarHBondContact O-N 3.4Å
77	V	97.7	Very high	97.5	Very high	17 Å²	17	46.7 Å²	46.7	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-35.9	176.6	174.8	0	0	0	0	110.5	L30 P34 L35 E75 R99 V100	L30-V77 HydrophobicContact CD2-CB 4.24Å; L30-V77 HydrophobicContact CD2-CG1 3.4Å; L30-V77 VanDerWaalsContact CD2-CG1 3.4Å; L30-V77 HydrophobicContact CD2-CG2 3.87Å; P34-V77 HydrophobicContact CB-CB 3.91Å; P34-V77 HydrophobicContact CB-CG1 4.36Å; P34-V77 HydrophobicContact CB-CG2 3.74Å; L35-V77 PolarHBondContact O-N 3.42Å; E75-V77 PolarHBondContact O-N 3Å; V77-R99 HydrophobicContact CG1-CB 4.32Å; V77-R99 HydrophobicContact CG1-CG 4.45Å; V77-R99 PolarHBondContact O-N 2.78Å; V77-V100 PolarHBondContact O-N 3.11Å
78	G	98.2	Very high	97.6	Very high	1 Å²	1	44 Å²	44	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.2	176.2	0	0	0	0	0	111.3	L35 V36 A37 V100	L35-G78 PolarHBondContact O-N 2.94Å; V36-G78 VanDerWaalsContact CA-O 3.28Å; V36-G78 WeakPolarHBondContact CA-O 3.47Å; A37-G78 PolarHBondContact N-O 3.34Å; G78-V100 CarbonylContact C-O 3.55Å; G78-V100 WeakPolarHBondContact CA-O 3.35Å
79	A	98.7	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.8	170.9	0	0	0	0	0	110.2	A37 L39 L98 V100 I101 V102	A37-A79 CarbonylContact O-C 3.53Å; A37-A79 VanDerWaalsContact O-CA 3.28Å; A37-A79 WeakPolarHBondContact O-CA 3.22Å; L39-A79 HydrophobicContact CD1-CB 4.12Å; L39-A79 HydrophobicContact CD2-CB 4.18Å; L39-A79 HydrophobicContact CG-CB 4.13Å; A79-L98 HydrophobicContact CB-CD1 3.73Å; A79-V100 PolarHBondContact N-O 3.5Å; A79-I101 HydrophobicContact CB-CG1 4.38Å; A79-I101 CarbonylContact O-C 3.58Å; A79-I101 WeakPolarHBondContact O-CA 3.4Å; A79-V102 PolarHBondContact O-N 2.89Å
80	M	98.8	Very high	97.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.4	165.9	-63	177.9	-62.3	0	0	107.9	V36 A37 L38 L39 E47 L51 V102 I104 A337 I341	V36-M80 HydrophobicContact CG1-CE 4.01Å; A37-M80 PolarHBondContact O-N 3.33Å; L38-M80 CarbonylContact C-O 3.6Å; L38-M80 WeakPolarHBondContact CA-O 3.32Å; L38-M80 HydrophobicContact CD1-CB 4.02Å; L39-M80 PolarHBondContact N-O 2.84Å; E47-M80 HydrophobicContact CB-CE 3.92Å; E47-M80 HydrophobicContact CG-CE 3.72Å; E47-M80 HydrophobicContact CG-SD 3.93Å; L51-M80 HydrophobicContact CD1-CE 4.49Å; M80-V102 WeakPolarHBondContact CA-O 3.41Å; M80-V102 HydrophobicContact CG-CB 4.41Å; M80-I104 HydrophobicContact CB-CD1 4.08Å; M80-I104 HydrophobicContact CB-CG1 4.32Å; M80-A337 HydrophobicContact SD-CB 4.48Å; M80-I341 HydrophobicContact CG-CD1 4.04Å; M80-I341 HydrophobicContact CG-CG1 3.68Å; M80-I341 HydrophobicContact SD-CG1 3.89Å
81	M	98.8	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152.7	179.7	63.8	-171.4	-85	0	0	111.4	L39 D40 I85 L87 I101 V102 R103 I104 N110 V111	L39-M81 HydrophobicContact CB-CB 4.16Å; L39-M81 HydrophobicContact CD1-CB 4.21Å; L39-M81 HydrophobicContact CD1-SD 4.2Å; L39-M81 HydrophobicContact CG-CB 4.31Å; D40-M81 WeakPolarHBondContact OD1-CA 3.36Å; M81-I85 HydrophobicContact CB-CG2 4.07Å; M81-I85 HydrophobicContact CE-CG2 3.52Å; M81-I85 VanDerWaalsContact CE-O 3.23Å; M81-I85 WeakPolarHBondContact CE-O 3.43Å; M81-I85 HydrophobicContact SD-CG2 4.4Å; M81-L87 HydrophobicContact CE-CD1 4.17Å; M81-L87 HydrophobicContact CE-CG 4.07Å; M81-L87 HydrophobicContact SD-CD1 3.55Å; M81-L87 VanDerWaalsContact SD-CD1 3.55Å; M81-L87 HydrophobicContact SD-CG 4.13Å; M81-I101 HydrophobicContact CG-CG2 4.17Å; M81-I101 HydrophobicContact SD-CG2 3.7Å; M81-V102 PolarHBondContact N-O 2.71Å; M81-V102 VanDerWaalsContact N-O 3.12Å; M81-R103 HydrophobicContact CG-CG 4.43Å; M81-R103 WeakPolarHBondContact O-CA 3.29Å; M81-R103 PolarHBondContact O-NH1 3.09Å; M81-I104 PolarHBondContact O-N 3.12Å; M81-N110 WeakPolarHBondContact CE-ND2 3.32Å; M81-V111 HydrophobicContact CE-CG2 3.68Å; M81-V111 HydrophobicContact SD-CG2 3.81Å
82	Y	98.4	Very high	97.9	Very high	42 Å²	42	37 Å²	37	17%	0.165	19%	0.188	C	C	.	.			trans	-89.2	-152.2	170.5	-61.9	-81.6	0	0	0	110	L38 D40 R103 I104 N110	L38-Y82 HydrophobicContact CD1-CD2 4.35Å; L38-Y82 HydrophobicContact CD1-CE2 3.87Å; L38-Y82 HydrophobicContact CD2-CE2 4.46Å; D40-Y82 VanDerWaalsContact CG-N 3.28Å; D40-Y82 PolarHBondContact OD1-N 2.68Å; D40-Y82 VanDerWaalsContact OD2-CA 3.27Å; D40-Y82 WeakPolarHBondContact OD2-CA 3.2Å; D40-Y82 VanDerWaalsContact OD2-CB 3.3Å; D40-Y82 WeakPolarHBondContact OD2-CB 3.49Å; D40-Y82 PolarHBondContact OD2-N 2.95Å; Y82-R103 WeakPolarHBondContact O-CD 3.36Å; Y82-R103 PolarHBondContact O-NE 3.29Å; Y82-R103 PolarHBondContact O-NH1 2.92Å; Y82-R103 PolarHBondContact O-NH2 3.27Å; Y82-I104 HydrophobicContact CD1-CB 3.84Å; Y82-I104 HydrophobicContact CD1-CD1 4.5Å; Y82-I104 HydrophobicContact CD1-CG2 4.02Å; Y82-I104 HydrophobicContact CE1-CB 3.75Å; Y82-I104 HydrophobicContact CE1-CD1 3.94Å; Y82-I104 HydrophobicContact CE1-CG1 4.45Å; Y82-I104 HydrophobicContact CE1-CG2 3.52Å; Y82-I104 HydrophobicContact CE2-CD1 4.06Å; Y82-N110 PolarHBondContact O-ND2 3.22Å
83	H	97.7	Very high	98	Very high	56 Å²	56	41 Å²	41	26%	0.259	21%	0.206	S	C	.	.	S	Bend	trans	-97.4	-4.6	-176.3	66.5	-90.4	0	0	0	113.2	E301 H321	H83-E301 IonicContact CD2-OE2 2.75Å; H83-E301 IonicContact NE2-OE2 3.5Å; H83-H321 AromaticContact CD2-CE1 3.44Å; H83-H321 PolarHBondContact CD2-CE1 2.79Å; H83-H321 VanDerWaalsContact CD2-CE1 3.44Å; H83-H321 AromaticContact CD2-ND1 3.35Å; H83-H321 PolarHBondContact CD2-ND1 3.16Å; H83-H321 VanDerWaalsContact CD2-ND1 3.35Å; H83-H321 AromaticContact CE1-CE1 3.92Å; H83-H321 AromaticContact CE1-CG 4Å; H83-H321 AromaticContact CE1-ND1 3.74Å; H83-H321 AromaticContact CG-CE1 3.56Å; H83-H321 AromaticContact CG-ND1 3.91Å; H83-H321 AromaticContact ND1-CE1 3.86Å; H83-H321 AromaticContact NE2-CE1 3.7Å; H83-H321 AromaticContact NE2-CG 3.81Å; H83-H321 AromaticContact NE2-ND1 3.25Å; H83-H321 PolarHBondContact NE2-ND1 2.95Å
84	T	97.2	Very high	98	Very high	63 Å²	63	43 Å²	43	39%	0.387	21%	0.213	S	C	.	.	S	Bend	trans	-91	-12.3	-167.9	58.4	0	0	0	0	113.4	D40 Q63	D40-T84 WeakPolarHBondContact CB-OG1 3.34Å; D40-T84 PolarHBondContact OD2-N 3.29Å; D40-T84 PolarHBondContact OD2-OG1 2.84Å; D40-T84 VanDerWaalsContact OD2-OG1 3.07Å; Q63-T84 PolarHBondContact OE1-OG1 2.87Å
85	I	97.6	Very high	98	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.196	C	C	.	.			trans	-110.7	142.9	169.4	-165.2	170.3	0	0	0	111.5	L39 D40 I68 M81 N110	L39-I85 HydrophobicContact CB-CD1 4.45Å; L39-I85 HydrophobicContact CB-CG2 4.34Å; D40-I85 HydrophobicContact CB-CB 3.92Å; D40-I85 HydrophobicContact CB-CG2 3.74Å; D40-I85 PolarHBondContact OD2-N 3.19Å; I68-I85 HydrophobicContact CD1-CD1 4.06Å; M81-I85 HydrophobicContact CB-CG2 4.07Å; M81-I85 HydrophobicContact CE-CG2 3.52Å; M81-I85 VanDerWaalsContact CE-O 3.23Å; M81-I85 WeakPolarHBondContact CE-O 3.43Å; M81-I85 HydrophobicContact SD-CG2 4.4Å; I85-N110 PolarHBondContact O-ND2 2.9Å
86	T	98.1	Very high	98	Very high	83 Å²	83	41 Å²	41	51%	0.509	20%	0.2	S	C	.	.			trans	-111.2	134.4	175.2	-62.3	0	0	0	0	110.3	T88 N110	T86-T88 HydrophobicContact CG2-CG2 4.43Å; T86-N110 CarbonylContact C-O 3.6Å; T86-N110 VanDerWaalsContact CA-O 3.31Å; T86-N110 WeakPolarHBondContact CA-O 3.49Å
87	L	98.5	Very high	98	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-114.6	98.9	176.5	-62	-178.2	0	0	0	110.4	L39 M81 D91 L92 F95 I101 N110 D112	L39-L87 HydrophobicContact CD1-CD1 4.08Å; M81-L87 HydrophobicContact CE-CD1 4.17Å; M81-L87 HydrophobicContact CE-CG 4.07Å; M81-L87 HydrophobicContact SD-CD1 3.55Å; M81-L87 VanDerWaalsContact SD-CD1 3.55Å; M81-L87 HydrophobicContact SD-CG 4.13Å; L87-D91 HydrophobicContact CD2-CB 4.14Å; L87-L92 HydrophobicContact CB-CD2 4.13Å; L87-L92 HydrophobicContact CB-CG 4.23Å; L87-L92 HydrophobicContact CD1-CD2 4.15Å; L87-F95 HydrophobicContact CD2-CE2 4.32Å; L87-I101 HydrophobicContact CD1-CD1 3.9Å; L87-N110 PolarHBondContact N-O 3.01Å; L87-D112 PolarHBondContact O-N 3.11Å
88	T	98.2	Very high	98	Very high	59 Å²	59	41.5 Å²	41.5	36%	0.362	21%	0.206	S	C	.	.			trans	-75.3	172.4	171.1	69.6	0	0	0	0	111.1	T86 E90 D91 L92	T86-T88 HydrophobicContact CG2-CG2 4.43Å; T88-E90 VanDerWaalsContact C-N 3.28Å; T88-E90 PolarHBondContact O-N 3.07Å; T88-E90 PolarHBondContact OG1-N 2.96Å; T88-D91 WeakPolarHBondContact CB-OD2 3.22Å; T88-D91 PolarHBondContact N-OD2 2.91Å; T88-D91 VanDerWaalsContact N-OD2 3.11Å; T88-D91 WeakPolarHBondContact O-CB 3.46Å; T88-D91 PolarHBondContact O-N 3.28Å; T88-D91 VanDerWaalsContact O-N 3.11Å; T88-D91 PolarHBondContact OG1-N 2.89Å; T88-D91 PolarHBondContact OG1-OD2 2.89Å; T88-L92 WeakPolarHBondContact O-CG 3.13Å; T88-L92 PolarHBondContact O-N 3.11Å
89	R	98.2	Very high	98	Very high	82 Å²	82	42.3 Å²	42.3	31%	0.309	21%	0.209	S	C	.	.	H	α-helix	trans	-50.2	-48.7	168.9	176.2	175.2	-63.4	-98.8	-2.1	112.6	D91 L92 E93 A115 E118	R89-D91 PolarHBondContact O-N 3.29Å; R89-L92 PolarHBondContact O-N 3.23Å; R89-E93 HydrophobicContact CG-CG 4.43Å; R89-E93 WeakPolarHBondContact CG-OE1 3.29Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.05Å; R89-A115 HydrophobicContact CB-CB 3.76Å; R89-A115 HydrophobicContact CG-CB 4Å; R89-E118 IonicContact CZ-OE2 2.78Å; R89-E118 IonicContact NH1-OE2 3.27Å; R89-E118 PolarHBondContact NH1-OE2 2.56Å; R89-E118 IonicContact NH2-OE1 3.97Å; R89-E118 IonicContact NH2-OE2 3.32Å; R89-E118 PolarHBondContact NH2-OE2 3.38Å
90	E	98.1	Very high	97.9	Very high	146 Å²	146	42.4 Å²	42.4	68%	0.682	21%	0.209	S	C	*	.	H	α-helix	trans	-61.9	-31.4	-178.5	-64	-175.4	-178.9	0	0	112	T88 K94	T88-E90 VanDerWaalsContact C-N 3.28Å; T88-E90 PolarHBondContact O-N 3.07Å; T88-E90 PolarHBondContact OG1-N 2.96Å; E90-K94 WeakPolarHBondContact O-CE 3.5Å; E90-K94 WeakPolarHBondContact O-CG 3.45Å
91	D	98.3	Very high	98	Very high	17 Å²	17	42.4 Å²	42.4	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-74.7	-43.9	175.5	-62.6	-53.1	0	0	0	112.1	T65 L87 T88 R89 E93 K94 F95	T65-D91 WeakPolarHBondContact CB-OD1 3.47Å; T65-D91 HydrophobicContact CG2-CB 3.85Å; T65-D91 WeakPolarHBondContact CG2-OD1 3.31Å; T65-D91 WeakPolarHBondContact OG1-CB 3.47Å; T65-D91 PolarHBondContact OG1-OD1 2.94Å; L87-D91 HydrophobicContact CD2-CB 4.14Å; T88-D91 WeakPolarHBondContact CB-OD2 3.22Å; T88-D91 PolarHBondContact N-OD2 2.91Å; T88-D91 VanDerWaalsContact N-OD2 3.11Å; T88-D91 WeakPolarHBondContact O-CB 3.46Å; T88-D91 PolarHBondContact O-N 3.28Å; T88-D91 VanDerWaalsContact O-N 3.11Å; T88-D91 PolarHBondContact OG1-N 2.89Å; T88-D91 PolarHBondContact OG1-OD2 2.89Å; R89-D91 PolarHBondContact O-N 3.29Å; D91-E93 VanDerWaalsContact C-N 3.28Å; D91-E93 PolarHBondContact O-N 2.73Å; D91-K94 WeakPolarHBondContact O-CB 3.16Å; D91-K94 PolarHBondContact O-N 3.36Å; D91-K94 VanDerWaalsContact O-N 3.12Å; D91-K94 IonicContact OD1-NZ 3.22Å; D91-K94 PolarHBondContact OD1-NZ 3.46Å; D91-F95 WeakPolarHBondContact O-CD2 3.28Å
92	L	98.4	Very high	98	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-36.1	178.3	-68.9	166.1	0	0	0	112	L87 T88 R89 K94 F95 I101 D112 A115 A116 L119 I121	L87-L92 HydrophobicContact CB-CD2 4.13Å; L87-L92 HydrophobicContact CB-CG 4.23Å; L87-L92 HydrophobicContact CD1-CD2 4.15Å; T88-L92 WeakPolarHBondContact O-CG 3.13Å; T88-L92 PolarHBondContact O-N 3.11Å; R89-L92 PolarHBondContact O-N 3.23Å; L92-K94 PolarHBondContact O-N 3.17Å; L92-F95 PolarHBondContact O-N 3.42Å; L92-F95 VanDerWaalsContact O-N 3.13Å; L92-I101 HydrophobicContact CD2-CD1 3.5Å; L92-D112 HydrophobicContact CD1-CB 4.3Å; L92-D112 WeakPolarHBondContact CD1-O 3.36Å; L92-A115 HydrophobicContact CD1-CB 4.09Å; L92-A116 HydrophobicContact CD1-CB 3.98Å; L92-L119 HydrophobicContact CB-CD1 3.63Å; L92-I121 HydrophobicContact CD2-CD1 4.26Å
93	E	97.8	Very high	98	Very high	94 Å²	94	40.6 Å²	40.6	44%	0.439	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.2	176.8	-73.7	174.7	-178.3	0	0	113.9	R89 D91 F95 K96 L119	R89-E93 HydrophobicContact CG-CG 4.43Å; R89-E93 WeakPolarHBondContact CG-OE1 3.29Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.05Å; D91-E93 VanDerWaalsContact C-N 3.28Å; D91-E93 PolarHBondContact O-N 2.73Å; E93-F95 VanDerWaalsContact C-N 3.28Å; E93-K96 PolarHBondContact O-NZ 3.32Å; E93-L119 HydrophobicContact CG-CD1 4.01Å; E93-L119 HydrophobicContact CG-CD2 4.19Å
94	K	98	Very high	98	Very high	69 Å²	69	38.1 Å²	38.1	30%	0.3	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-28.7	174.6	-63.3	166.2	-168.4	161.5	0	111.3	T65 L73 E90 D91 L92 K96	T65-K94 HydrophobicContact CG2-CD 3.74Å; L73-K94 HydrophobicContact CD1-CB 4.46Å; L73-K94 HydrophobicContact CD2-CB 4.12Å; E90-K94 WeakPolarHBondContact O-CE 3.5Å; E90-K94 WeakPolarHBondContact O-CG 3.45Å; D91-K94 WeakPolarHBondContact O-CB 3.16Å; D91-K94 PolarHBondContact O-N 3.36Å; D91-K94 VanDerWaalsContact O-N 3.12Å; D91-K94 IonicContact OD1-NZ 3.22Å; D91-K94 PolarHBondContact OD1-NZ 3.46Å; L92-K94 PolarHBondContact O-N 3.17Å; K94-K96 WeakPolarHBondContact O-CE 3.5Å; K94-K96 PolarHBondContact O-N 2.92Å
95	F	97.9	Very high	98.1	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.179	C	C	.	.			trans	-76.9	117.3	179.1	-69.9	-89	0	0	0	112.1	R22 L39 I68 V72 L73 L87 D91 L92 E93 L98	R22-F95 PolarHBondContact NH2-O 2.9Å; L39-F95 HydrophobicContact CD1-CZ 4.38Å; L39-F95 HydrophobicContact CD2-CZ 4.48Å; I68-F95 HydrophobicContact CD1-CZ 3.92Å; V72-F95 HydrophobicContact CG1-CE1 4.41Å; L73-F95 HydrophobicContact CD2-CD1 4.09Å; L73-F95 HydrophobicContact CD2-CD2 4.23Å; L73-F95 HydrophobicContact CD2-CE1 3.85Å; L73-F95 HydrophobicContact CD2-CE2 3.99Å; L73-F95 HydrophobicContact CD2-CG 4.29Å; L73-F95 HydrophobicContact CD2-CZ 3.8Å; L73-F95 CarbonylContact O-C 3.56Å; L73-F95 VanDerWaalsContact O-CA 3.29Å; L73-F95 WeakPolarHBondContact O-CA 3.38Å; L87-F95 HydrophobicContact CD2-CE2 4.32Å; D91-F95 WeakPolarHBondContact O-CD2 3.28Å; L92-F95 PolarHBondContact O-N 3.42Å; L92-F95 VanDerWaalsContact O-N 3.13Å; E93-F95 VanDerWaalsContact C-N 3.28Å; F95-L98 HydrophobicContact CB-CB 3.59Å; F95-L98 HydrophobicContact CB-CD2 4.01Å; F95-L98 HydrophobicContact CB-CG 4.46Å; F95-L98 HydrophobicContact CD1-CB 4.08Å; F95-L98 HydrophobicContact CD1-CD2 3.85Å; F95-L98 HydrophobicContact CD1-CG 4.4Å; F95-L98 HydrophobicContact CD2-CD2 4.09Å; F95-L98 HydrophobicContact CE1-CD2 4.29Å; F95-L98 HydrophobicContact CG-CB 4.06Å; F95-L98 HydrophobicContact CG-CD2 3.72Å; F95-L98 HydrophobicContact CG-CG 4.49Å
96	K	96.7	Very high	98.1	Very high	126 Å²	126	39 Å²	39	55%	0.548	20%	0.201	S	C	.	.	S	Bend	trans	-89.9	-32	-174.3	-52.6	-52.1	176.1	-167.6	0	113.3	R22 L73 E93 K94	R22-K96 PolarHBondContact NE-O 3.44Å; R22-K96 PolarHBondContact NH2-O 3.32Å; L73-K96 PolarHBondContact O-N 2.85Å; E93-K96 PolarHBondContact O-NZ 3.32Å; K94-K96 WeakPolarHBondContact O-CE 3.5Å; K94-K96 PolarHBondContact O-N 2.92Å
97	A	96.8	Very high	98	Very high	30 Å²	30	35.4 Å²	35.4	25%	0.248	18%	0.182	C	C	.	.	S	Bend	trans	-112.1	-7	-177.2	0	0	0	0	0	114.9	N74 A76 R99	N74-A97 WeakPolarHBondContact O-CB 3.47Å; A76-A97 CarbonylContact O-C 3.06Å; A97-R99 PolarHBondContact O-N 2.88Å
98	L	97.9	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.			trans	-64.4	131.8	-171.3	-169.2	70.2	0	0	0	111.4	R22 I25 A76 A79 F95 V100 I101 I121	R22-L98 PolarHBondContact NH2-O 2.75Å; I25-L98 WeakPolarHBondContact CD1-O 3.45Å; A76-L98 WeakPolarHBondContact O-CA 3.23Å; A76-L98 PolarHBondContact O-N 3.4Å; A79-L98 HydrophobicContact CB-CD1 3.73Å; F95-L98 HydrophobicContact CB-CB 3.59Å; F95-L98 HydrophobicContact CB-CD2 4.01Å; F95-L98 HydrophobicContact CB-CG 4.46Å; F95-L98 HydrophobicContact CD1-CB 4.08Å; F95-L98 HydrophobicContact CD1-CD2 3.85Å; F95-L98 HydrophobicContact CD1-CG 4.4Å; F95-L98 HydrophobicContact CD2-CD2 4.09Å; F95-L98 HydrophobicContact CE1-CD2 4.29Å; F95-L98 HydrophobicContact CG-CB 4.06Å; F95-L98 HydrophobicContact CG-CD2 3.72Å; F95-L98 HydrophobicContact CG-CG 4.49Å; L98-V100 WeakPolarHBondContact CD1-O 3.2Å; L98-I101 HydrophobicContact CD2-CD1 3.83Å; L98-I101 HydrophobicContact CD2-CG1 3.66Å; L98-I101 HydrophobicContact CG-CG1 4.35Å; L98-I121 HydrophobicContact CD2-CD1 4.32Å; L98-I121 HydrophobicContact CD2-CG2 4.27Å; L98-I121 HydrophobicContact CG-CG2 4.29Å; L98-I121 WeakPolarHBondContact O-CG1 3.26Å
99	R	97.2	Very high	98	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.068	19%	0.191	C	C	.	.			trans	-120.7	-26.6	-179.3	-73.2	-178.6	68	-159.6	-8.5	113.4	I25 N27 V77 A97 A122 I349	I25-R99 HydrophobicContact CB-CG 4.48Å; I25-R99 HydrophobicContact CD1-CG 4.13Å; I25-R99 HydrophobicContact CG2-CG 3.52Å; N27-R99 PolarHBondContact OD1-NH2 3.33Å; V77-R99 HydrophobicContact CG1-CB 4.32Å; V77-R99 HydrophobicContact CG1-CG 4.45Å; V77-R99 PolarHBondContact O-N 2.78Å; A97-R99 PolarHBondContact O-N 2.88Å; R99-A122 PolarHBondContact O-N 3Å; R99-I349 HydrophobicContact CB-CD1 3.92Å
100	V	98.5	Very high	97.9	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.4	-179.4	64.9	0	0	0	0	111.1	V77 G78 A79 L98 V102 A122 I341 A344 I349 L353	V77-V100 PolarHBondContact O-N 3.11Å; G78-V100 CarbonylContact C-O 3.55Å; G78-V100 WeakPolarHBondContact CA-O 3.35Å; A79-V100 PolarHBondContact N-O 3.5Å; L98-V100 WeakPolarHBondContact CD1-O 3.2Å; V100-V102 HydrophobicContact CG2-CG2 4.02Å; V100-A122 CarbonylContact C-O 3.26Å; V100-A122 VanDerWaalsContact CA-O 3.31Å; V100-A122 WeakPolarHBondContact CA-O 3.48Å; V100-A122 HydrophobicContact CG2-CB 4.35Å; V100-I341 HydrophobicContact CG1-CD1 3.84Å; V100-A344 HydrophobicContact CB-CB 4.08Å; V100-A344 HydrophobicContact CG1-CB 3.72Å; V100-A344 HydrophobicContact CG2-CB 4.1Å; V100-I349 HydrophobicContact CB-CD1 4.29Å; V100-L353 HydrophobicContact CG2-CD1 4.48Å
101	I	98.8	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.1	167.4	-64.3	167.1	0	0	0	107.1	A79 M81 L87 L92 L98 V111 I121 A122 V123 C124	A79-I101 HydrophobicContact CB-CG1 4.38Å; A79-I101 CarbonylContact O-C 3.58Å; A79-I101 WeakPolarHBondContact O-CA 3.4Å; M81-I101 HydrophobicContact CG-CG2 4.17Å; M81-I101 HydrophobicContact SD-CG2 3.7Å; L87-I101 HydrophobicContact CD1-CD1 3.9Å; L92-I101 HydrophobicContact CD2-CD1 3.5Å; L98-I101 HydrophobicContact CD2-CD1 3.83Å; L98-I101 HydrophobicContact CD2-CG1 3.66Å; L98-I101 HydrophobicContact CG-CG1 4.35Å; I101-V111 HydrophobicContact CD1-CG1 4.3Å; I101-I121 HydrophobicContact CD1-CG2 3.79Å; I101-I121 HydrophobicContact CG1-CG2 3.85Å; I101-A122 PolarHBondContact N-O 2.96Å; I101-V123 HydrophobicContact CB-CG2 4.41Å; I101-V123 CarbonylContact O-C 3.51Å; I101-V123 WeakPolarHBondContact O-CA 3.39Å; I101-C124 PolarHBondContact O-N 3.07Å
102	V	98.8	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.7	174	-175.8	0	0	0	0	109	A79 M80 M81 V100 I104 C124 I126 A337 E340 I341	A79-V102 PolarHBondContact O-N 2.89Å; M80-V102 WeakPolarHBondContact CA-O 3.41Å; M80-V102 HydrophobicContact CG-CB 4.41Å; M81-V102 PolarHBondContact N-O 2.71Å; M81-V102 VanDerWaalsContact N-O 3.12Å; V100-V102 HydrophobicContact CG2-CG2 4.02Å; V102-I104 PolarHBondContact O-N 3.23Å; V102-C124 HydrophobicContact CG1-CB 4.39Å; V102-C124 HydrophobicContact CG2-CB 4.2Å; V102-I126 HydrophobicContact CG1-CD1 4.4Å; V102-A337 HydrophobicContact CG1-CB 3.74Å; V102-E340 HydrophobicContact CG1-CB 4.25Å; V102-E340 HydrophobicContact CG1-CG 4.46Å; V102-E340 HydrophobicContact CG2-CB 4.19Å; V102-E340 HydrophobicContact CG2-CG 4.03Å; V102-I341 HydrophobicContact CB-CD1 4.2Å; V102-I341 HydrophobicContact CB-CG1 4.41Å; V102-I341 HydrophobicContact CG2-CD1 3.47Å; V102-I341 VanDerWaalsContact CG2-CD1 3.47Å; V102-I341 HydrophobicContact CG2-CG1 3.83Å
103	R	98.8	Very high	97.9	Very high	4 Å²	4	32 Å²	32	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	115.4	169.4	-83.1	-67.5	-66	97.1	2	109.7	M81 Y82 G105 G107 N110 V111 C124 N125 I126	M81-R103 HydrophobicContact CG-CG 4.43Å; M81-R103 WeakPolarHBondContact O-CA 3.29Å; M81-R103 PolarHBondContact O-NH1 3.09Å; Y82-R103 WeakPolarHBondContact O-CD 3.36Å; Y82-R103 PolarHBondContact O-NE 3.29Å; Y82-R103 PolarHBondContact O-NH1 2.92Å; Y82-R103 PolarHBondContact O-NH2 3.27Å; R103-G105 VanDerWaalsContact C-N 3.3Å; R103-G105 PolarHBondContact O-N 3.21Å; R103-G107 PolarHBondContact NE-O 2.9Å; R103-G107 PolarHBondContact NH2-O 3.03Å; R103-N110 WeakPolarHBondContact CD-OD1 3.44Å; R103-N110 PolarHBondContact NE-OD1 3.41Å; R103-V111 HydrophobicContact CG-CG2 4.47Å; R103-C124 PolarHBondContact N-O 3.14Å; R103-N125 HydrophobicContact CB-CB 4.41Å; R103-I126 PolarHBondContact O-N 2.83Å
104	I	98.7	Very high	97.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-74	89.2	167.3	-50.5	175.5	0	0	0	107.3	L38 M80 M81 Y82 V102 M333 R334 A337	L38-I104 HydrophobicContact CD1-CD1 3.86Å; M80-I104 HydrophobicContact CB-CD1 4.08Å; M80-I104 HydrophobicContact CB-CG1 4.32Å; M81-I104 PolarHBondContact O-N 3.12Å; Y82-I104 HydrophobicContact CD1-CB 3.84Å; Y82-I104 HydrophobicContact CD1-CD1 4.5Å; Y82-I104 HydrophobicContact CD1-CG2 4.02Å; Y82-I104 HydrophobicContact CE1-CB 3.75Å; Y82-I104 HydrophobicContact CE1-CD1 3.94Å; Y82-I104 HydrophobicContact CE1-CG1 4.45Å; Y82-I104 HydrophobicContact CE1-CG2 3.52Å; Y82-I104 HydrophobicContact CE2-CD1 4.06Å; V102-I104 PolarHBondContact O-N 3.23Å; I104-M333 HydrophobicContact CG2-CB 4.17Å; I104-M333 HydrophobicContact CG2-CG 3.6Å; I104-M333 HydrophobicContact CG2-SD 3.83Å; I104-R334 HydrophobicContact CG2-CG 4.1Å; I104-A337 HydrophobicContact CG1-CB 3.78Å
105	G	97.8	Very high	97.9	Very high	14 Å²	14	29 Å²	29	14%	0.144	15%	0.153	C	C	.	.	S	Bend	trans	137.4	172.5	-172.5	0	0	0	0	0	112.1	R103 N125 I126	R103-G105 VanDerWaalsContact C-N 3.3Å; R103-G105 PolarHBondContact O-N 3.21Å; G105-N125 WeakPolarHBondContact O-CB 3.26Å; G105-I126 CarbonylContact C-O 3.5Å; G105-I126 PolarHBondContact O-N 3.48Å
106	S	97.7	Very high	97.9	Very high	67 Å²	67	28.9 Å²	28.9	47%	0.469	15%	0.153	S	C	.	.	S	Bend	trans	-85.5	-40.9	-172.7	56.7	0	0	0	0	113.9	Y108 N125 I126	S106-Y108 WeakPolarHBondContact O-CD1 3.42Å; S106-N125 PolarHBondContact O-ND2 3.41Å; S106-I126 WeakPolarHBondContact CA-O 3.3Å; S106-I126 PolarHBondContact N-O 2.99Å
107	G	96.7	Very high	97.9	Very high	9 Å²	9	22.9 Å²	22.9	9%	0.093	13%	0.127	C	C	.	.			trans	-84	145.5	180	0	0	0	0	0	113.1	R103	R103-G107 PolarHBondContact NE-O 2.9Å; R103-G107 PolarHBondContact NH2-O 3.03Å
108	Y	98.2	Very high	97.9	Very high	60 Å²	60	25 Å²	25	24%	0.235	13%	0.132	C	C	.	.			trans	-134.5	17.7	-171.1	49.5	-97.9	0	0	0	112	S106 N110 V111 I113 N125 V357	S106-Y108 WeakPolarHBondContact O-CD1 3.42Å; Y108-N110 PolarHBondContact O-N 3.29Å; Y108-V111 PolarHBondContact O-N 3.44Å; Y108-I113 HydrophobicContact CD2-CD1 4.25Å; Y108-I113 HydrophobicContact CD2-CG2 4.1Å; Y108-I113 HydrophobicContact CE2-CD1 4.04Å; Y108-N125 HydrophobicContact CD1-CB 4.27Å; Y108-V357 HydrophobicContact CD1-CB 4.46Å; Y108-V357 HydrophobicContact CD1-CG1 4.19Å; Y108-V357 HydrophobicContact CD1-CG2 4.17Å; Y108-V357 HydrophobicContact CD2-CG2 4.23Å; Y108-V357 HydrophobicContact CE1-CB 4.32Å; Y108-V357 HydrophobicContact CE1-CG1 4.05Å; Y108-V357 HydrophobicContact CE1-CG2 4.48Å; Y108-V357 HydrophobicContact CG-CG2 4.04Å
109	D	97.7	Very high	97.9	Very high	61 Å²	61	26.5 Å²	26.5	33%	0.326	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	176.7	50.8	-66.2	0	0	0	113.2	V111 L245 R272	D109-V111 PolarHBondContact O-N 3.25Å; D109-L245 HydrophobicContact CB-CB 3.97Å; D109-L245 HydrophobicContact CB-CD2 4.31Å; D109-L245 HydrophobicContact CB-CG 4.37Å; D109-R272 IonicContact OD1-CZ 3.89Å; D109-R272 IonicContact OD1-NE 2.84Å; D109-R272 PolarHBondContact OD1-NE 3.28Å; D109-R272 IonicContact OD1-NH2 2.81Å; D109-R272 WeakPolarHBondContact OD2-CD 3.29Å; D109-R272 IonicContact OD2-NE 3.38Å; D109-R272 PolarHBondContact OD2-NE 3.01Å
110	N	98	Very high	97.8	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.064	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	7.2	174.5	66.2	-41.2	0	0	0	114.2	M81 Y82 I85 T86 L87 R103 Y108	M81-N110 WeakPolarHBondContact CE-ND2 3.32Å; Y82-N110 PolarHBondContact O-ND2 3.22Å; I85-N110 PolarHBondContact O-ND2 2.9Å; T86-N110 CarbonylContact C-O 3.6Å; T86-N110 VanDerWaalsContact CA-O 3.31Å; T86-N110 WeakPolarHBondContact CA-O 3.49Å; L87-N110 PolarHBondContact N-O 3.01Å; R103-N110 WeakPolarHBondContact CD-OD1 3.44Å; R103-N110 PolarHBondContact NE-OD1 3.41Å; Y108-N110 PolarHBondContact O-N 3.29Å
111	V	98.5	Very high	97.8	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.042	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-129.4	129.2	174.4	-176.8	0	0	0	0	109	M81 I101 R103 Y108 D109 I113 V123	M81-V111 HydrophobicContact CE-CG2 3.68Å; M81-V111 HydrophobicContact SD-CG2 3.81Å; I101-V111 HydrophobicContact CD1-CG1 4.3Å; R103-V111 HydrophobicContact CG-CG2 4.47Å; Y108-V111 PolarHBondContact O-N 3.44Å; D109-V111 PolarHBondContact O-N 3.25Å; V111-I113 HydrophobicContact CB-CG2 4.39Å; V111-I113 HydrophobicContact CG1-CG2 4.44Å; V111-I113 WeakPolarHBondContact O-CG2 3.37Å; V111-I113 PolarHBondContact O-N 3.16Å; V111-V123 HydrophobicContact CG1-CG1 4.46Å; V111-V123 HydrophobicContact CG1-CG2 3.98Å
112	D	98	Very high	97.8	Very high	61 Å²	61	26.7 Å²	26.7	33%	0.326	15%	0.148	S	C	.	.			trans	-69.6	84.6	168.3	-175.2	-16.3	0	0	0	109.6	L87 L92 K114 A115 A116	L87-D112 PolarHBondContact O-N 3.11Å; L92-D112 HydrophobicContact CD1-CB 4.3Å; L92-D112 WeakPolarHBondContact CD1-O 3.36Å; D112-K114 PolarHBondContact O-N 2.79Å; D112-K114 PolarHBondContact OD1-N 2.98Å; D112-A115 HydrophobicContact CB-CB 3.98Å; D112-A115 PolarHBondContact O-N 3.12Å; D112-A115 WeakPolarHBondContact OD1-CB 3.45Å; D112-A115 PolarHBondContact OD1-N 3.25Å; D112-A115 WeakPolarHBondContact OD2-CB 3.49Å; D112-A116 WeakPolarHBondContact O-CB 3.23Å; D112-A116 PolarHBondContact O-N 3.19Å
113	I	98	Very high	97.8	Very high	31 Å²	31	26.7 Å²	26.7	16%	0.159	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-25.8	-174.8	61.5	165.9	0	0	0	113.2	Y108 V111 G117 V123 V357 N358 F361	Y108-I113 HydrophobicContact CD2-CD1 4.25Å; Y108-I113 HydrophobicContact CD2-CG2 4.1Å; Y108-I113 HydrophobicContact CE2-CD1 4.04Å; V111-I113 HydrophobicContact CB-CG2 4.39Å; V111-I113 HydrophobicContact CG1-CG2 4.44Å; V111-I113 WeakPolarHBondContact O-CG2 3.37Å; V111-I113 PolarHBondContact O-N 3.16Å; I113-G117 PolarHBondContact O-N 3.12Å; I113-V123 HydrophobicContact CG2-CB 4.1Å; I113-V123 HydrophobicContact CG2-CG1 3.98Å; I113-V123 HydrophobicContact CG2-CG2 4.17Å; I113-V357 HydrophobicContact CG2-CG2 4.37Å; I113-N358 HydrophobicContact CB-CB 3.86Å; I113-N358 HydrophobicContact CD1-CB 4.49Å; I113-N358 PolarHBondContact O-ND2 3.04Å; I113-F361 HydrophobicContact CD1-CE2 4.18Å; I113-F361 HydrophobicContact CG1-CE2 4.29Å
114	K	97.3	Very high	97.8	Very high	100 Å²	100	26.5 Å²	26.5	44%	0.435	15%	0.147	S	C	.	.	H	α-helix	trans	-72.9	-50	176.6	178.9	173.4	-177.2	-66.6	0	109.9	D112 A116 G117 E118 F361	D112-K114 PolarHBondContact O-N 2.79Å; D112-K114 PolarHBondContact OD1-N 2.98Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.01Å; K114-G117 PolarHBondContact O-N 2.77Å; K114-E118 IonicContact NZ-OE1 2.7Å; K114-E118 PolarHBondContact NZ-OE1 2.95Å; K114-E118 WeakPolarHBondContact O-CG 3.26Å; K114-E118 PolarHBondContact O-N 2.89Å; K114-F361 HydrophobicContact CB-CD1 4.18Å; K114-F361 HydrophobicContact CB-CD2 4.42Å; K114-F361 HydrophobicContact CB-CE1 4.14Å; K114-F361 HydrophobicContact CB-CE2 4.38Å; K114-F361 HydrophobicContact CB-CG 4.32Å; K114-F361 HydrophobicContact CB-CZ 4.24Å; K114-F361 HydrophobicContact CD-CD1 4.42Å; K114-F361 HydrophobicContact CD-CE1 4.1Å; K114-F361 HydrophobicContact CG-CD1 3.77Å; K114-F361 HydrophobicContact CG-CE1 3.86Å; K114-F361 HydrophobicContact CG-CG 4.29Å; K114-F361 HydrophobicContact CG-CZ 4.45Å
115	A	97.5	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-40.4	172.9	0	0	0	0	0	111.8	R89 L92 D112 G117 E118 L119	R89-A115 HydrophobicContact CB-CB 3.76Å; R89-A115 HydrophobicContact CG-CB 4Å; L92-A115 HydrophobicContact CD1-CB 4.09Å; D112-A115 HydrophobicContact CB-CB 3.98Å; D112-A115 PolarHBondContact O-N 3.12Å; D112-A115 WeakPolarHBondContact OD1-CB 3.45Å; D112-A115 PolarHBondContact OD1-N 3.25Å; D112-A115 WeakPolarHBondContact OD2-CB 3.49Å; A115-G117 PolarHBondContact O-N 3.49Å; A115-E118 PolarHBondContact O-N 2.81Å; A115-L119 WeakPolarHBondContact O-CB 3.45Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 2.77Å
116	A	98.2	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-49.3	176.3	0	0	0	0	0	111.5	L92 D112 K114 E118 L119 G120 I121 V123	L92-A116 HydrophobicContact CD1-CB 3.98Å; D112-A116 WeakPolarHBondContact O-CB 3.23Å; D112-A116 PolarHBondContact O-N 3.19Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.01Å; A116-E118 PolarHBondContact O-N 2.83Å; A116-L119 CarbonylContact O-C 3.5Å; A116-L119 PolarHBondContact O-N 2.81Å; A116-L119 VanDerWaalsContact O-N 3.15Å; A116-G120 PolarHBondContact O-N 2.92Å; A116-I121 CarbonylContact C-O 3.48Å; A116-I121 VanDerWaalsContact C-O 3.26Å; A116-I121 HydrophobicContact CB-CB 4.12Å; A116-I121 HydrophobicContact CB-CG2 4.43Å; A116-I121 WeakPolarHBondContact O-CA 3.37Å; A116-I121 WeakPolarHBondContact O-CB 3.5Å; A116-I121 PolarHBondContact O-N 2.82Å; A116-V123 HydrophobicContact CB-CG2 3.6Å
117	G	97.5	Very high	97.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-41.4	179	0	0	0	0	0	113.2	I113 K114 A115 L119 G120 N358 F361	I113-G117 PolarHBondContact O-N 3.12Å; K114-G117 PolarHBondContact O-N 2.77Å; A115-G117 PolarHBondContact O-N 3.49Å; G117-L119 PolarHBondContact O-N 2.86Å; G117-G120 PolarHBondContact O-N 2.86Å; G117-N358 PolarHBondContact N-ND2 3.25Å; G117-F361 CarbonylContact C-O 3.16Å
118	E	96.5	Very high	97.8	Very high	75 Å²	75	27 Å²	27	35%	0.35	14%	0.144	S	C	.	.	H	α-helix	trans	-61.6	-32.5	174.6	-71.3	172.1	-166.1	0	0	112.5	R89 K114 A115 A116 G120 F361	R89-E118 IonicContact CZ-OE2 2.78Å; R89-E118 IonicContact NH1-OE2 3.27Å; R89-E118 PolarHBondContact NH1-OE2 2.56Å; R89-E118 IonicContact NH2-OE1 3.97Å; R89-E118 IonicContact NH2-OE2 3.32Å; R89-E118 PolarHBondContact NH2-OE2 3.38Å; K114-E118 IonicContact NZ-OE1 2.7Å; K114-E118 PolarHBondContact NZ-OE1 2.95Å; K114-E118 WeakPolarHBondContact O-CG 3.26Å; K114-E118 PolarHBondContact O-N 2.89Å; A115-E118 PolarHBondContact O-N 2.81Å; A116-E118 PolarHBondContact O-N 2.83Å; E118-G120 VanDerWaalsContact C-N 3.29Å; E118-F361 PolarHBondContact N-O 2.87Å
119	L	96.6	Very high	97.6	Very high	31 Å²	31	24.4 Å²	24.4	16%	0.162	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2	175.6	-67.8	171	0	0	0	113.6	R22 L92 E93 A115 A116 G117 I121	R22-L119 PolarHBondContact NH1-O 3.27Å; R22-L119 VanDerWaalsContact NH1-O 3.09Å; L92-L119 HydrophobicContact CB-CD1 3.63Å; E93-L119 HydrophobicContact CG-CD1 4.01Å; E93-L119 HydrophobicContact CG-CD2 4.19Å; A115-L119 WeakPolarHBondContact O-CB 3.45Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 2.77Å; A116-L119 CarbonylContact O-C 3.5Å; A116-L119 PolarHBondContact O-N 2.81Å; A116-L119 VanDerWaalsContact O-N 3.15Å; G117-L119 PolarHBondContact O-N 2.86Å; L119-I121 HydrophobicContact CB-CD1 3.99Å; L119-I121 HydrophobicContact CB-CG1 4.26Å; L119-I121 HydrophobicContact CD1-CD1 4.46Å
120	G	96.4	Very high	97.6	Very high	24 Å²	24	22.2 Å²	22.2	25%	0.247	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	23	-178.3	0	0	0	0	0	114.4	A116 G117 E118	A116-G120 PolarHBondContact O-N 2.92Å; G117-G120 PolarHBondContact O-N 2.86Å; E118-G120 VanDerWaalsContact C-N 3.29Å
121	I	98.2	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.			trans	-103.9	118.3	-179.8	-55.7	165.5	0	0	0	109	L92 L98 I101 A116 L119 N358	L92-I121 HydrophobicContact CD2-CD1 4.26Å; L98-I121 HydrophobicContact CD2-CD1 4.32Å; L98-I121 HydrophobicContact CD2-CG2 4.27Å; L98-I121 HydrophobicContact CG-CG2 4.29Å; L98-I121 WeakPolarHBondContact O-CG1 3.26Å; I101-I121 HydrophobicContact CD1-CG2 3.79Å; I101-I121 HydrophobicContact CG1-CG2 3.85Å; A116-I121 CarbonylContact C-O 3.48Å; A116-I121 VanDerWaalsContact C-O 3.26Å; A116-I121 HydrophobicContact CB-CB 4.12Å; A116-I121 HydrophobicContact CB-CG2 4.43Å; A116-I121 WeakPolarHBondContact O-CA 3.37Å; A116-I121 WeakPolarHBondContact O-CB 3.5Å; A116-I121 PolarHBondContact O-N 2.82Å; L119-I121 HydrophobicContact CB-CD1 3.99Å; L119-I121 HydrophobicContact CB-CG1 4.26Å; L119-I121 HydrophobicContact CD1-CD1 4.46Å; I121-N358 PolarHBondContact O-ND2 3.16Å
122	A	98.5	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.9	171.9	0	0	0	0	0	110.3	R99 V100 I101 I349 L353 F362	R99-A122 PolarHBondContact O-N 3Å; V100-A122 CarbonylContact C-O 3.26Å; V100-A122 VanDerWaalsContact CA-O 3.31Å; V100-A122 WeakPolarHBondContact CA-O 3.48Å; V100-A122 HydrophobicContact CG2-CB 4.35Å; I101-A122 PolarHBondContact N-O 2.96Å; A122-I349 HydrophobicContact CB-CG2 3.61Å; A122-L353 HydrophobicContact CB-CD1 3.38Å; A122-F362 HydrophobicContact CB-CE2 4.3Å; A122-F362 HydrophobicContact CB-CZ 3.75Å
123	V	98.7	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.6	171.8	-175.3	0	0	0	0	108.3	I101 V111 I113 A116 C356 V357 N358	I101-V123 HydrophobicContact CB-CG2 4.41Å; I101-V123 CarbonylContact O-C 3.51Å; I101-V123 WeakPolarHBondContact O-CA 3.39Å; V111-V123 HydrophobicContact CG1-CG1 4.46Å; V111-V123 HydrophobicContact CG1-CG2 3.98Å; I113-V123 HydrophobicContact CG2-CB 4.1Å; I113-V123 HydrophobicContact CG2-CG1 3.98Å; I113-V123 HydrophobicContact CG2-CG2 4.17Å; A116-V123 HydrophobicContact CB-CG2 3.6Å; V123-C356 CarbonylContact O-C 3.57Å; V123-C356 WeakPolarHBondContact O-CA 3.38Å; V123-V357 HydrophobicContact CB-CG2 4.15Å; V123-V357 HydrophobicContact CG1-CG2 4.01Å; V123-V357 WeakPolarHBondContact O-CG2 3.41Å; V123-V357 PolarHBondContact O-N 2.88Å; V123-N358 PolarHBondContact N-OD1 3.15Å
124	C	98.8	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	157.4	172.9	-64.2	0	0	0	0	111.1	I101 V102 R103 E340 N355	I101-C124 PolarHBondContact O-N 3.07Å; V102-C124 HydrophobicContact CG1-CB 4.39Å; V102-C124 HydrophobicContact CG2-CB 4.2Å; R103-C124 PolarHBondContact N-O 3.14Å; C124-E340 HydrophobicContact CB-CG 3.8Å; C124-E340 PolarHBondContact SG-OE1 3.24Å; C124-E340 VanDerWaalsContact SG-OE1 3.33Å; C124-N355 VanDerWaalsContact CA-O 3.26Å; C124-N355 WeakPolarHBondContact CA-O 3.46Å
125	N	98.6	Very high	97.8	Very high	15 Å²	15	21.9 Å²	21.9	8%	0.08	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	172.9	169.4	72.6	-11.6	0	0	0	111.5	R103 G105 S106 Y108 P127 N355 V357	R103-N125 HydrophobicContact CB-CB 4.41Å; G105-N125 WeakPolarHBondContact O-CB 3.26Å; S106-N125 PolarHBondContact O-ND2 3.41Å; Y108-N125 HydrophobicContact CD1-CB 4.27Å; N125-P127 WeakPolarHBondContact O-CD 3.33Å; N125-N355 PolarHBondContact N-O 3.47Å; N125-N355 VanDerWaalsContact O-CB 3.29Å; N125-N355 WeakPolarHBondContact O-CB 3.3Å; N125-V357 HydrophobicContact CB-CG1 4.38Å
126	I	98.6	Very high	97.9	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.041	15%	0.147	C	C	.	.			trans	-112.1	94	169.9	-52.4	-57.2	0	0	0	108.7	V102 R103 G105 S106 S128 A129 M333 A336 A337	V102-I126 HydrophobicContact CG1-CD1 4.4Å; R103-I126 PolarHBondContact O-N 2.83Å; G105-I126 CarbonylContact C-O 3.5Å; G105-I126 PolarHBondContact O-N 3.48Å; S106-I126 WeakPolarHBondContact CA-O 3.3Å; S106-I126 PolarHBondContact N-O 2.99Å; I126-S128 PolarHBondContact O-N 2.83Å; I126-A129 HydrophobicContact CG2-CB 3.79Å; I126-M333 HydrophobicContact CB-CB 4.45Å; I126-M333 HydrophobicContact CG2-CB 4.04Å; I126-A336 HydrophobicContact CD1-CB 3.81Å; I126-A336 HydrophobicContact CG1-CB 4.42Å; I126-A336 HydrophobicContact CG2-CB 3.99Å; I126-A337 HydrophobicContact CD1-CB 4.21Å; I126-A337 HydrophobicContact CG1-CB 4.13Å
127	P	97.9	Very high	97.9	Very high	11 Å²	11	27.7 Å²	27.7	7%	0.071	16%	0.16	C	C	.	.			trans	-85.1	-9.8	-164.1	32.9	-37.4	0	0	0	115.1	N125 R190	N125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-R190 VanDerWaalsContact O-CD 3.23Å; P127-R190 WeakPolarHBondContact O-CD 3.2Å
128	S	96.6	Very high	98	Very high	69 Å²	69	27.6 Å²	27.6	48%	0.483	16%	0.159	S	C	.	.	S	Bend	trans	-119.2	-14.7	-167.7	55.6	0	0	0	0	115.9	I126 A130	I126-S128 PolarHBondContact O-N 2.83Å; S128-A130 VanDerWaalsContact C-N 3.33Å; S128-A130 PolarHBondContact O-N 2.98Å
129	A	93.9	Very high	98.1	Very high	6 Å²	6	24.7 Å²	24.7	5%	0.05	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.9	-164.8	0	0	0	0	0	115.7	I126 A329 E332 M333	I126-A129 HydrophobicContact CG2-CB 3.79Å; A129-A329 VanDerWaalsContact O-CB 3.29Å; A129-A329 WeakPolarHBondContact O-CB 3.41Å; A129-E332 HydrophobicContact CB-CB 4.42Å; A129-E332 HydrophobicContact CB-CG 4.23Å; A129-M333 HydrophobicContact CB-CB 3.59Å; A129-M333 HydrophobicContact CB-CE 4.35Å
130	A	98.2	Very high	98.2	Very high	15 Å²	15	26.4 Å²	26.4	12%	0.124	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	26.8	-176.8	0	0	0	0	0	112.6	S128 T134 W324 A329 M333	S128-A130 VanDerWaalsContact C-N 3.33Å; S128-A130 PolarHBondContact O-N 2.98Å; A130-T134 VanDerWaalsContact O-CB 3.27Å; A130-T134 WeakPolarHBondContact O-CB 3.25Å; A130-T134 PolarHBondContact O-N 3.46Å; A130-T134 PolarHBondContact O-OG1 3.41Å; A130-W324 HydrophobicContact CB-CB 3.83Å; A130-W324 WeakPolarHBondContact CB-O 3.36Å; A130-A329 HydrophobicContact CB-CB 4.2Å; A130-M333 HydrophobicContact CB-CE 4.06Å
131	V	98.8	Very high	98.4	Very high	27 Å²	27	25.9 Å²	25.9	16%	0.164	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-44.1	-177.2	171	0	0	0	0	110.7	A135 R190 A194	V131-A135 WeakPolarHBondContact O-CB 3.38Å; V131-A135 PolarHBondContact O-N 2.88Å; V131-A135 VanDerWaalsContact O-N 3.15Å; V131-R190 HydrophobicContact CG1-CB 3.89Å; V131-R190 HydrophobicContact CG2-CB 3.81Å; V131-A194 HydrophobicContact CG1-CB 4.09Å
132	E	98.8	Very high	98.4	Very high	109 Å²	109	25.9 Å²	25.9	51%	0.509	15%	0.151	S	C	.	.	H	α-helix	trans	-77.7	-42.6	-177.1	-62	-144.5	98.5	0	0	111.8	T134 A135 D136 R198	E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 2.78Å; E132-A135 CarbonylContact O-C 3.52Å; E132-A135 WeakPolarHBondContact O-CB 3.31Å; E132-A135 PolarHBondContact O-N 2.93Å; E132-D136 WeakPolarHBondContact O-CB 3.28Å; E132-D136 PolarHBondContact O-N 2.71Å; E132-R198 IonicContact OE1-CZ 3.72Å; E132-R198 IonicContact OE1-NH1 3.97Å; E132-R198 PolarHBondContact OE1-NH1 3.33Å; E132-R198 IonicContact OE1-NH2 3.98Å; E132-R198 PolarHBondContact OE1-NH2 2.82Å
133	E	98.8	Very high	98.4	Very high	50 Å²	50	27.8 Å²	27.8	23%	0.234	16%	0.16	C	C	.	.	H	α-helix	trans	-54.5	-45.5	173	-75.3	76	-176.7	0	0	111.6	A135 D136 S137 A323 S326 A329	E133-A135 VanDerWaalsContact C-N 3.34Å; E133-A135 PolarHBondContact O-N 3.31Å; E133-D136 PolarHBondContact O-N 2.91Å; E133-S137 VanDerWaalsContact O-CB 3.32Å; E133-S137 WeakPolarHBondContact O-CB 3.5Å; E133-S137 PolarHBondContact O-N 3.39Å; E133-S137 PolarHBondContact O-OG 3.46Å; E133-A323 CarbonylContact C-O 3.54Å; E133-A323 VanDerWaalsContact O-O 3.08Å; E133-S326 PolarHBondContact OE1-OG 2.97Å; E133-A329 HydrophobicContact CG-CB 4.18Å
134	T	98.9	Very high	98.4	Very high	19 Å²	19	28.7 Å²	28.7	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-39	178.3	-55.6	0	0	0	0	110.9	A130 E132 T138 T191 A323	A130-T134 VanDerWaalsContact O-CB 3.27Å; A130-T134 WeakPolarHBondContact O-CB 3.25Å; A130-T134 PolarHBondContact O-N 3.46Å; A130-T134 PolarHBondContact O-OG1 3.41Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 2.78Å; T134-T138 WeakPolarHBondContact O-CB 3.25Å; T134-T138 PolarHBondContact O-N 3.27Å; T134-T138 PolarHBondContact O-OG1 3.31Å; T134-T191 HydrophobicContact CG2-CG2 3.99Å; T134-A323 VanDerWaalsContact CA-O 3.24Å; T134-A323 WeakPolarHBondContact CA-O 3.35Å; T134-A323 HydrophobicContact CG2-CB 4.28Å; T134-A323 PolarHBondContact N-O 2.84Å; T134-A323 VanDerWaalsContact N-O 3.13Å
135	A	98.9	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-41.5	177.3	0	0	0	0	0	112.3	V131 E132 E133 T138 I139 A194 V195	V131-A135 WeakPolarHBondContact O-CB 3.38Å; V131-A135 PolarHBondContact O-N 2.88Å; V131-A135 VanDerWaalsContact O-N 3.15Å; E132-A135 CarbonylContact O-C 3.52Å; E132-A135 WeakPolarHBondContact O-CB 3.31Å; E132-A135 PolarHBondContact O-N 2.93Å; E133-A135 VanDerWaalsContact C-N 3.34Å; E133-A135 PolarHBondContact O-N 3.31Å; A135-T138 PolarHBondContact O-N 2.79Å; A135-I139 WeakPolarHBondContact O-CG1 3.12Å; A135-I139 PolarHBondContact O-N 3.47Å; A135-A194 HydrophobicContact CB-CB 3.59Å; A135-V195 HydrophobicContact CB-CG2 3.8Å
136	D	98.9	Very high	98.4	Very high	84 Å²	84	28 Å²	28	45%	0.449	16%	0.162	S	C	.	.	H	α-helix	trans	-63	-46.1	176	-72.5	-15.2	0	0	0	110.7	E132 E133 T138 I139 C140 R198	E132-D136 WeakPolarHBondContact O-CB 3.28Å; E132-D136 PolarHBondContact O-N 2.71Å; E133-D136 PolarHBondContact O-N 2.91Å; D136-T138 VanDerWaalsContact C-N 3.34Å; D136-T138 PolarHBondContact O-N 2.95Å; D136-I139 PolarHBondContact O-N 3.13Å; D136-C140 WeakPolarHBondContact O-CB 3.35Å; D136-C140 PolarHBondContact O-N 3.33Å; D136-R198 IonicContact OD1-CZ 2.68Å; D136-R198 IonicContact OD1-NE 3.44Å; D136-R198 PolarHBondContact OD1-NE 3.29Å; D136-R198 IonicContact OD1-NH2 2.73Å; D136-R198 PolarHBondContact OD1-NH2 3.42Å; D136-R198 IonicContact OD2-NH2 3.1Å
137	S	98.9	Very high	98.4	Very high	37 Å²	37	32 Å²	32	26%	0.259	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-39.7	174.9	-63.5	0	0	0	0	112	E133 C140 H141 A323	E133-S137 VanDerWaalsContact O-CB 3.32Å; E133-S137 WeakPolarHBondContact O-CB 3.5Å; E133-S137 PolarHBondContact O-N 3.39Å; E133-S137 PolarHBondContact O-OG 3.46Å; S137-C140 WeakPolarHBondContact O-CB 3.25Å; S137-C140 PolarHBondContact O-N 2.62Å; S137-H141 PolarHBondContact O-CD2 3.15Å; S137-H141 PolarHBondContact O-N 3.48Å; S137-A323 PolarHBondContact OG-O 2.78Å
138	T	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-47.5	174.4	-57.4	0	0	0	0	111.2	T134 A135 D136 C140 H141 I142 V195 S240 V268	T134-T138 WeakPolarHBondContact O-CB 3.25Å; T134-T138 PolarHBondContact O-N 3.27Å; T134-T138 PolarHBondContact O-OG1 3.31Å; A135-T138 PolarHBondContact O-N 2.79Å; D136-T138 VanDerWaalsContact C-N 3.34Å; D136-T138 PolarHBondContact O-N 2.95Å; T138-C140 VanDerWaalsContact C-N 3.28Å; T138-C140 PolarHBondContact O-N 3.46Å; T138-H141 WeakPolarHBondContact O-CB 3.4Å; T138-H141 PolarHBondContact O-N 2.77Å; T138-I142 HydrophobicContact CG2-CD1 3.98Å; T138-I142 HydrophobicContact CG2-CG1 4.49Å; T138-I142 WeakPolarHBondContact O-CG1 3.43Å; T138-I142 PolarHBondContact O-N 3.4Å; T138-V195 HydrophobicContact CG2-CG1 4.37Å; T138-V195 HydrophobicContact CG2-CG2 3.96Å; T138-S240 WeakPolarHBondContact CG2-OG 3.09Å; T138-V268 HydrophobicContact CG2-CG1 4.11Å
139	I	98.9	Very high	98.6	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-39.4	176.9	-68.2	-69.3	0	0	0	110.3	A135 D136 H141 I142 L143 V195 R198 A199 F202	A135-I139 WeakPolarHBondContact O-CG1 3.12Å; A135-I139 PolarHBondContact O-N 3.47Å; D136-I139 PolarHBondContact O-N 3.13Å; I139-H141 VanDerWaalsContact C-N 3.35Å; I139-H141 PolarHBondContact O-N 3.06Å; I139-I142 HydrophobicContact CD1-CD1 4.37Å; I139-I142 PolarHBondContact O-N 3.38Å; I139-L143 HydrophobicContact CG2-CD1 3.84Å; I139-L143 HydrophobicContact CG2-CG 4.12Å; I139-L143 WeakPolarHBondContact O-CB 3.39Å; I139-L143 VanDerWaalsContact O-CG 3.22Å; I139-L143 WeakPolarHBondContact O-CG 3.47Å; I139-L143 PolarHBondContact O-N 2.84Å; I139-V195 HydrophobicContact CD1-CG1 4.03Å; I139-R198 HydrophobicContact CD1-CB 4.03Å; I139-R198 HydrophobicContact CG1-CB 3.87Å; I139-A199 HydrophobicContact CD1-CB 4.07Å; I139-F202 HydrophobicContact CG2-CE2 3.9Å; I139-F202 HydrophobicContact CG2-CZ 4.21Å
140	C	98.9	Very high	98.8	Very high	67 Å²	67	37.1 Å²	37.1	45%	0.453	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-47.1	173.2	-172.4	0	0	0	0	111.5	D136 S137 T138 L143 N144	D136-C140 WeakPolarHBondContact O-CB 3.35Å; D136-C140 PolarHBondContact O-N 3.33Å; S137-C140 WeakPolarHBondContact O-CB 3.25Å; S137-C140 PolarHBondContact O-N 2.62Å; T138-C140 VanDerWaalsContact C-N 3.28Å; T138-C140 PolarHBondContact O-N 3.46Å; C140-L143 PolarHBondContact O-N 3.06Å; C140-N144 VanDerWaalsContact O-CB 3.31Å; C140-N144 WeakPolarHBondContact O-CB 3.46Å; C140-N144 PolarHBondContact O-N 3.4Å; C140-N144 PolarHBondContact O-ND2 2.83Å; C140-N144 PolarHBondContact SG-ND2 3.17Å; C140-N144 VanDerWaalsContact SG-ND2 3.42Å
141	H	98.9	Very high	98.8	Very high	13 Å²	13	38 Å²	38	6%	0.06	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-48.4	175.1	-78.8	-41.6	0	0	0	112.6	S137 T138 I139 L143 N144 L145 V268 A294 T319	S137-H141 PolarHBondContact O-CD2 3.15Å; S137-H141 PolarHBondContact O-N 3.48Å; T138-H141 WeakPolarHBondContact O-CB 3.4Å; T138-H141 PolarHBondContact O-N 2.77Å; I139-H141 VanDerWaalsContact C-N 3.35Å; I139-H141 PolarHBondContact O-N 3.06Å; H141-L143 PolarHBondContact O-N 3.2Å; H141-N144 WeakPolarHBondContact O-CB 3.32Å; H141-N144 PolarHBondContact O-N 2.91Å; H141-L145 WeakPolarHBondContact O-CG 3.25Å; H141-L145 PolarHBondContact O-N 2.84Å; H141-V268 HydrophobicContact CB-CG1 3.97Å; H141-A294 HydrophobicContact CB-CB 3.75Å; H141-T319 PolarHBondContact CE1-OG1 2.96Å; H141-T319 PolarHBondContact NE2-OG1 3.07Å
142	I	98.9	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-50.3	175.9	-67.2	166.9	0	0	0	110.2	T138 I139 N144 L145 Y146 L183 V195 F204 V268	T138-I142 HydrophobicContact CG2-CD1 3.98Å; T138-I142 HydrophobicContact CG2-CG1 4.49Å; T138-I142 WeakPolarHBondContact O-CG1 3.43Å; T138-I142 PolarHBondContact O-N 3.4Å; I139-I142 HydrophobicContact CD1-CD1 4.37Å; I139-I142 PolarHBondContact O-N 3.38Å; I142-N144 VanDerWaalsContact C-N 3.32Å; I142-N144 PolarHBondContact O-N 3.12Å; I142-L145 PolarHBondContact O-N 3.21Å; I142-Y146 HydrophobicContact CG2-CD2 3.85Å; I142-Y146 HydrophobicContact CG2-CE2 4.07Å; I142-Y146 WeakPolarHBondContact O-CD2 3.47Å; I142-Y146 PolarHBondContact O-N 3.38Å; I142-L183 HydrophobicContact CD1-CD1 3.88Å; I142-L183 HydrophobicContact CD1-CD2 4.02Å; I142-V195 HydrophobicContact CD1-CG1 4.47Å; I142-F204 HydrophobicContact CG2-CE2 3.89Å; I142-F204 HydrophobicContact CG2-CZ 3.67Å; I142-V268 HydrophobicContact CG1-CG2 3.84Å
143	L	98.9	Very high	98.8	Very high	39 Å²	39	39.9 Å²	39.9	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-35.8	179.9	-66.6	179	0	0	0	112.2	I139 C140 H141 L145 Y146 R147 I178 F202	I139-L143 HydrophobicContact CG2-CD1 3.84Å; I139-L143 HydrophobicContact CG2-CG 4.12Å; I139-L143 WeakPolarHBondContact O-CB 3.39Å; I139-L143 VanDerWaalsContact O-CG 3.22Å; I139-L143 WeakPolarHBondContact O-CG 3.47Å; I139-L143 PolarHBondContact O-N 2.84Å; C140-L143 PolarHBondContact O-N 3.06Å; H141-L143 PolarHBondContact O-N 3.2Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-Y146 PolarHBondContact O-N 3.46Å; L143-R147 WeakPolarHBondContact O-CB 3.38Å; L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.48Å; L143-R147 PolarHBondContact O-N 3.44Å; L143-I178 HydrophobicContact CD2-CD1 3.44Å; L143-I178 VanDerWaalsContact CD2-CD1 3.44Å; L143-F202 HydrophobicContact CD1-CE1 3.74Å; L143-F202 HydrophobicContact CD1-CZ 3.78Å; L143-F202 HydrophobicContact CD2-CD1 3.89Å; L143-F202 HydrophobicContact CD2-CE1 3.94Å; L143-F202 HydrophobicContact CD2-CG 4.41Å; L143-F202 HydrophobicContact CD2-CZ 4.49Å; L143-F202 HydrophobicContact CG-CE1 4.46Å
144	N	98.9	Very high	98.8	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.102	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-40	174.1	-89.1	-53.1	0	0	0	112.1	C140 H141 I142 R148 N149 T150 I317	C140-N144 VanDerWaalsContact O-CB 3.31Å; C140-N144 WeakPolarHBondContact O-CB 3.46Å; C140-N144 PolarHBondContact O-N 3.4Å; C140-N144 PolarHBondContact O-ND2 2.83Å; C140-N144 PolarHBondContact SG-ND2 3.17Å; C140-N144 VanDerWaalsContact SG-ND2 3.42Å; H141-N144 WeakPolarHBondContact O-CB 3.32Å; H141-N144 PolarHBondContact O-N 2.91Å; I142-N144 VanDerWaalsContact C-N 3.32Å; I142-N144 PolarHBondContact O-N 3.12Å; N144-R148 WeakPolarHBondContact O-CA 3.31Å; N144-R148 PolarHBondContact O-N 2.92Å; N144-N149 WeakPolarHBondContact OD1-CB 3.33Å; N144-T150 PolarHBondContact OD1-N 2.83Å; N144-T150 PolarHBondContact OD1-OG1 2.88Å; N144-I317 HydrophobicContact CB-CD1 3.74Å
145	L	98.9	Very high	98.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-48.6	174.2	-65.7	179.2	0	0	0	111.4	H141 I142 L143 R147 W151 F266 V268 A294 I317	H141-L145 WeakPolarHBondContact O-CG 3.25Å; H141-L145 PolarHBondContact O-N 2.84Å; I142-L145 PolarHBondContact O-N 3.21Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 2.67Å; L145-W151 HydrophobicContact CD2-CH2 3.51Å; L145-W151 HydrophobicContact CD2-CZ2 4.06Å; L145-W151 HydrophobicContact CD2-CZ3 4.35Å; L145-F266 HydrophobicContact CB-CD1 3.81Å; L145-F266 HydrophobicContact CB-CD2 4.31Å; L145-F266 HydrophobicContact CB-CE1 3.84Å; L145-F266 HydrophobicContact CB-CE2 4.34Å; L145-F266 HydrophobicContact CB-CG 4.04Å; L145-F266 HydrophobicContact CB-CZ 4.08Å; L145-F266 HydrophobicContact CD1-CB 3.91Å; L145-F266 HydrophobicContact CD1-CD1 3.99Å; L145-F266 HydrophobicContact CD1-CG 4.09Å; L145-F266 HydrophobicContact CD2-CD1 4.36Å; L145-F266 HydrophobicContact CG-CD1 4.27Å; L145-F266 WeakPolarHBondContact O-CZ 3.35Å; L145-V268 HydrophobicContact CD1-CG2 3.66Å; L145-A294 HydrophobicContact CD1-CB 3.96Å; L145-A294 HydrophobicContact CD2-CB 4.16Å; L145-A294 HydrophobicContact CG-CB 4.07Å; L145-I317 HydrophobicContact CD2-CD1 4.17Å
146	Y	98.9	Very high	98.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-34.8	-177.5	-88.9	-85.4	0	0	0	114	I142 L143 A175 A176 I178 E181 F204 C238 F266	I142-Y146 HydrophobicContact CG2-CD2 3.85Å; I142-Y146 HydrophobicContact CG2-CE2 4.07Å; I142-Y146 WeakPolarHBondContact O-CD2 3.47Å; I142-Y146 PolarHBondContact O-N 3.38Å; L143-Y146 PolarHBondContact O-N 3.46Å; Y146-A175 CarbonylContact O-C 3.49Å; Y146-A175 VanDerWaalsContact O-CA 3.3Å; Y146-A175 WeakPolarHBondContact O-CA 3.38Å; Y146-A176 HydrophobicContact CD1-CB 3.94Å; Y146-A176 HydrophobicContact CE1-CB 4.17Å; Y146-A176 PolarHBondContact O-N 3.45Å; Y146-I178 HydrophobicContact CD1-CG1 3.76Å; Y146-I178 HydrophobicContact CE1-CG1 4.47Å; Y146-I178 HydrophobicContact CG-CD1 4.47Å; Y146-I178 HydrophobicContact CG-CG1 3.8Å; Y146-E181 HydrophobicContact CE1-CB 4.36Å; Y146-E181 HydrophobicContact CE1-CG 3.71Å; Y146-E181 VanDerWaalsContact CE1-OE2 3.23Å; Y146-E181 WeakPolarHBondContact CE1-OE2 3.42Å; Y146-E181 PolarHBondContact OH-OE2 3.38Å; Y146-F204 AromaticContact CD2-CZ 4Å; Y146-F204 HydrophobicContact CD2-CZ 4Å; Y146-F204 AromaticContact CE2-CE1 3.83Å; Y146-F204 HydrophobicContact CE2-CE1 3.83Å; Y146-F204 AromaticContact CE2-CZ 3.59Å; Y146-F204 HydrophobicContact CE2-CZ 3.59Å; Y146-F204 AromaticContact CZ-CE1 3.82Å; Y146-F204 AromaticContact CZ-CZ 3.99Å; Y146-C238 HydrophobicContact CE2-CB 3.89Å; Y146-F266 HydrophobicContact CD1-CE2 4.12Å; Y146-F266 HydrophobicContact CD2-CD2 4.01Å; Y146-F266 HydrophobicContact CD2-CE2 4.07Å; Y146-F266 HydrophobicContact CE1-CD2 4.31Å; Y146-F266 HydrophobicContact CE1-CE2 4.1Å; Y146-F266 AromaticContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CE2 4.07Å; Y146-F266 HydrophobicContact CG-CD2 4.49Å; Y146-F266 HydrophobicContact CG-CE2 4.09Å; Y146-F266 AromaticContact CZ-CD2 3.83Å
147	R	98.8	Very high	98.7	Very high	92 Å²	92	51.6 Å²	51.6	35%	0.347	25%	0.247	S	C	.	.	H	α-helix	trans	-107.4	-8.9	-173.4	-51.2	-68.3	66.4	-153.8	-17.8	113.4	L143 L145 N149 A176	L143-R147 WeakPolarHBondContact O-CB 3.38Å; L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.48Å; L143-R147 PolarHBondContact O-N 3.44Å; L145-R147 PolarHBondContact O-N 2.67Å; R147-N149 PolarHBondContact O-N 3.1Å; R147-A176 PolarHBondContact NE-O 3.33Å; R147-A176 PolarHBondContact NH2-O 2.64Å
148	R	98.6	Very high	98.6	Very high	47 Å²	47	56.2 Å²	56.2	18%	0.177	26%	0.264	C	S	.	.			trans	59.9	20.8	179.1	-49.8	-157.8	79.1	-159.6	-3.8	114.4	N144 T150 W151 L152 S173 A175 N315	N144-R148 WeakPolarHBondContact O-CA 3.31Å; N144-R148 PolarHBondContact O-N 2.92Å; R148-T150 PolarHBondContact O-N 3.13Å; R148-W151 HydrophobicContact CB-CE3 3.78Å; R148-W151 HydrophobicContact CB-CZ3 4.45Å; R148-W151 HydrophobicContact CG-CE3 3.83Å; R148-W151 HydrophobicContact CG-CZ3 4.05Å; R148-W151 PolarHBondContact O-N 3.3Å; R148-W151 VanDerWaalsContact O-N 3.14Å; R148-L152 HydrophobicContact CB-CD1 4.46Å; R148-L152 HydrophobicContact CB-CG 4.33Å; R148-L152 WeakPolarHBondContact O-CB 3.22Å; R148-L152 VanDerWaalsContact O-CG 3.3Å; R148-L152 WeakPolarHBondContact O-CG 3.24Å; R148-L152 PolarHBondContact O-N 3.41Å; R148-S173 WeakPolarHBondContact CD-O 3.24Å; R148-S173 PolarHBondContact NH1-O 2.79Å; R148-A175 HydrophobicContact CG-CB 4.13Å; R148-N315 PolarHBondContact NH2-OD1 3.33Å
149	N	98.8	Very high	98.6	Very high	93 Å²	93	58.7 Å²	58.7	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-54.8	-48.7	-173.1	-77	-37.9	0	0	0	112.9	N144 R147 W151 L152 Y153	N144-N149 WeakPolarHBondContact OD1-CB 3.33Å; R147-N149 PolarHBondContact O-N 3.1Å; N149-W151 PolarHBondContact O-N 3.34Å; N149-L152 PolarHBondContact O-N 3.44Å; N149-Y153 WeakPolarHBondContact O-CB 3.5Å; N149-Y153 PolarHBondContact O-N 2.79Å
150	T	98.7	Very high	98.5	Very high	53 Å²	53	61 Å²	61	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-42.4	178.8	-63.6	0	0	0	0	112.3	N144 R148 Y153 Q154	N144-T150 PolarHBondContact OD1-N 2.83Å; N144-T150 PolarHBondContact OD1-OG1 2.88Å; R148-T150 PolarHBondContact O-N 3.13Å; T150-Y153 WeakPolarHBondContact O-CB 3.34Å; T150-Y153 PolarHBondContact O-N 3.46Å; T150-Q154 WeakPolarHBondContact O-CB 3.37Å; T150-Q154 PolarHBondContact O-N 2.99Å
151	W	98.6	Very high	98.3	Very high	35 Å²	35	67.5 Å²	67.5	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-35.2	177.3	-62.2	-49.2	0	0	0	112.8	L145 R148 N149 Q154 A155 N315 L316 I317	L145-W151 HydrophobicContact CD2-CH2 3.51Å; L145-W151 HydrophobicContact CD2-CZ2 4.06Å; L145-W151 HydrophobicContact CD2-CZ3 4.35Å; R148-W151 HydrophobicContact CB-CE3 3.78Å; R148-W151 HydrophobicContact CB-CZ3 4.45Å; R148-W151 HydrophobicContact CG-CE3 3.83Å; R148-W151 HydrophobicContact CG-CZ3 4.05Å; R148-W151 PolarHBondContact O-N 3.3Å; R148-W151 VanDerWaalsContact O-N 3.14Å; N149-W151 PolarHBondContact O-N 3.34Å; W151-Q154 PolarHBondContact O-N 3.22Å; W151-A155 WeakPolarHBondContact O-CB 3.43Å; W151-A155 PolarHBondContact O-N 3.06Å; W151-N315 HydrophobicContact CH2-CB 4.38Å; W151-N315 VanDerWaalsContact CZ2-C 3.45Å; W151-N315 HydrophobicContact CZ2-CB 4.25Å; W151-N315 WeakPolarHBondContact CZ2-O 3.48Å; W151-L316 PolarHBondContact NE1-O 2.87Å; W151-I317 HydrophobicContact CH2-CD1 4.46Å; W151-I317 HydrophobicContact CZ2-CD1 4.03Å; W151-I317 HydrophobicContact CZ2-CG1 3.78Å
152	L	98.6	Very high	98.1	Very high	44 Å²	44	69.3 Å²	69.3	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-41.7	174.1	-71.1	171.8	0	0	0	111.5	R148 N149 A155 L156 V171 A172	R148-L152 HydrophobicContact CB-CD1 4.46Å; R148-L152 HydrophobicContact CB-CG 4.33Å; R148-L152 WeakPolarHBondContact O-CB 3.22Å; R148-L152 VanDerWaalsContact O-CG 3.3Å; R148-L152 WeakPolarHBondContact O-CG 3.24Å; R148-L152 PolarHBondContact O-N 3.41Å; N149-L152 PolarHBondContact O-N 3.44Å; L152-A155 PolarHBondContact O-N 3.34Å; L152-L156 WeakPolarHBondContact O-CG 3.3Å; L152-L156 PolarHBondContact O-N 2.89Å; L152-L156 VanDerWaalsContact O-N 3.12Å; L152-V171 HydrophobicContact CD2-CB 4.37Å; L152-V171 HydrophobicContact CD2-CG1 3.77Å; L152-V171 HydrophobicContact CD2-CG2 4.02Å; L152-A172 HydrophobicContact CD1-CB 4.35Å; L152-A172 HydrophobicContact CD2-CB 4.1Å
153	Y	98.6	Very high	98	Very high	131 Å²	131	77.3 Å²	77.3	51%	0.514	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-46.1	171.4	165.2	-100.5	0	0	0	111.7	N149 T150 L156 R157	N149-Y153 WeakPolarHBondContact O-CB 3.5Å; N149-Y153 PolarHBondContact O-N 2.79Å; T150-Y153 WeakPolarHBondContact O-CB 3.34Å; T150-Y153 PolarHBondContact O-N 3.46Å; Y153-L156 PolarHBondContact O-N 3.45Å; Y153-R157 HydrophobicContact CE2-CG 4.34Å; Y153-R157 PolarHBondContact O-N 2.88Å; Y153-R157 PolarHBondContact OH-NE 2.87Å; Y153-R157 PolarHBondContact OH-NH2 2.96Å
154	Q	98.3	Very high	97.9	Very high	88 Å²	88	77.5 Å²	77.5	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-47.1	176.6	179.6	177.6	-5.4	0	0	111.6	T150 W151 L156 R157 E158	T150-Q154 WeakPolarHBondContact O-CB 3.37Å; T150-Q154 PolarHBondContact O-N 2.99Å; W151-Q154 PolarHBondContact O-N 3.22Å; Q154-L156 VanDerWaalsContact C-N 3.3Å; Q154-L156 PolarHBondContact O-N 3.1Å; Q154-R157 CarbonylContact O-C 3.48Å; Q154-R157 WeakPolarHBondContact O-CA 3.47Å; Q154-R157 WeakPolarHBondContact O-CB 3.14Å; Q154-R157 PolarHBondContact O-N 3.37Å; Q154-E158 HydrophobicContact CG-CG 4.39Å; Q154-E158 VanDerWaalsContact CG-OE1 3.24Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.44Å; Q154-E158 PolarHBondContact NE2-OE1 3.24Å; Q154-E158 WeakPolarHBondContact O-CG 3.29Å; Q154-E158 PolarHBondContact O-N 2.95Å
155	A	98.2	Very high	97.8	Very high	14 Å²	14	80.4 Å²	80.4	12%	0.116	39%	0.392	C	S	.	.	H	α-helix	trans	-59.5	-39.1	179.7	0	0	0	0	0	112.6	W151 L152 E158 G159 T160 V171	W151-A155 WeakPolarHBondContact O-CB 3.43Å; W151-A155 PolarHBondContact O-N 3.06Å; L152-A155 PolarHBondContact O-N 3.34Å; A155-E158 PolarHBondContact O-N 3.34Å; A155-G159 PolarHBondContact O-N 3.07Å; A155-T160 WeakPolarHBondContact O-CB 3.46Å; A155-T160 PolarHBondContact O-N 3.35Å; A155-T160 PolarHBondContact O-OG1 3.04Å; A155-V171 HydrophobicContact CB-CG2 4.04Å
156	L	98.1	Very high	97.7	Very high	113 Å²	113	85.9 Å²	85.9	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-67.2	-40.2	174	-72.6	175.2	0	0	0	111.9	L152 Y153 Q154 E158 G159	L152-L156 WeakPolarHBondContact O-CG 3.3Å; L152-L156 PolarHBondContact O-N 2.89Å; L152-L156 VanDerWaalsContact O-N 3.12Å; Y153-L156 PolarHBondContact O-N 3.45Å; Q154-L156 VanDerWaalsContact C-N 3.3Å; Q154-L156 PolarHBondContact O-N 3.1Å; L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 PolarHBondContact O-N 3.24Å; L156-G159 PolarHBondContact O-N 3.24Å; L156-G159 VanDerWaalsContact O-N 3.08Å
157	R	98	Very high	97.7	Very high	184 Å²	184	89.2 Å²	89.2	69%	0.694	43%	0.433	S	S	*	.	H	α-helix	trans	-62.9	-34.8	173.8	-81.3	-164.1	164.1	-133	4.5	112.9	Y153 Q154 G159	Y153-R157 HydrophobicContact CE2-CG 4.34Å; Y153-R157 PolarHBondContact O-N 2.88Å; Y153-R157 PolarHBondContact OH-NE 2.87Å; Y153-R157 PolarHBondContact OH-NH2 2.96Å; Q154-R157 CarbonylContact O-C 3.48Å; Q154-R157 WeakPolarHBondContact O-CA 3.47Å; Q154-R157 WeakPolarHBondContact O-CB 3.14Å; Q154-R157 PolarHBondContact O-N 3.37Å; R157-G159 PolarHBondContact O-N 3.25Å
158	E	97.9	Very high	97.6	Very high	133 Å²	133	89.2 Å²	89.2	62%	0.621	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.6	175.3	-69.8	169.5	179.8	0	0	112.9	Q154 A155 L156	Q154-E158 HydrophobicContact CG-CG 4.39Å; Q154-E158 VanDerWaalsContact CG-OE1 3.24Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.44Å; Q154-E158 PolarHBondContact NE2-OE1 3.24Å; Q154-E158 WeakPolarHBondContact O-CG 3.29Å; Q154-E158 PolarHBondContact O-N 2.95Å; A155-E158 PolarHBondContact O-N 3.34Å; L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 PolarHBondContact O-N 3.24Å
159	G	97.6	Very high	97.6	Very high	53 Å²	53	94.3 Å²	94.3	55%	0.546	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	10.9	173.6	0	0	0	0	0	114.8	A155 L156 R157 R161	A155-G159 PolarHBondContact O-N 3.07Å; L156-G159 PolarHBondContact O-N 3.24Å; L156-G159 VanDerWaalsContact O-N 3.08Å; R157-G159 PolarHBondContact O-N 3.25Å; G159-R161 PolarHBondContact O-N 3.44Å
160	T	96.7	Very high	97.5	Very high	61 Å²	61	97 Å²	97	37%	0.374	47%	0.468	S	S	.	.			trans	-60.1	123.7	175.1	-55.4	0	0	0	0	109.9	A155 V162 V171	A155-T160 WeakPolarHBondContact O-CB 3.46Å; A155-T160 PolarHBondContact O-N 3.35Å; A155-T160 PolarHBondContact O-OG1 3.04Å; T160-V162 HydrophobicContact CG2-CG2 4.13Å; T160-V171 HydrophobicContact CG2-CG2 4.37Å
161	R	95.5	Very high	97.5	Very high	205 Å²	205	96.5 Å²	96.5	77%	0.774	47%	0.465	S	S	*	.			trans	-96.3	125.3	176.8	-65.1	-174.3	179.7	-170.6	-0.1	110.2	G159	G159-R161 PolarHBondContact O-N 3.44Å
162	V	94.9	Very high	97.5	Very high	51 Å²	51	96 Å²	96	31%	0.309	47%	0.468	S	S	.	.			trans	-122.6	106.4	-177.6	-174.2	0	0	0	0	108.2	T160 Q167 I168 V171	T160-V162 HydrophobicContact CG2-CG2 4.13Å; V162-Q167 HydrophobicContact CG1-CB 3.98Å; V162-I168 HydrophobicContact CG1-CB 4.26Å; V162-I168 HydrophobicContact CG1-CG1 3.45Å; V162-I168 VanDerWaalsContact CG1-CG1 3.45Å; V162-V171 HydrophobicContact CG1-CG1 4.3Å; V162-V171 HydrophobicContact CG2-CB 4.44Å; V162-V171 HydrophobicContact CG2-CG1 3.98Å
163	Q	96.3	Very high	97.4	Very high	168 Å²	168	97.3 Å²	97.3	79%	0.785	48%	0.481	S	S	*	.			trans	-115.9	-47.4	-177.1	-66.4	-173.1	-15.9	0	0	112.4
164	S	96.6	Very high	97.4	Very high	43 Å²	43	92.6 Å²	92.6	30%	0.301	47%	0.472	S	S	.	.	S	Bend	trans	-88.2	159.6	-178.4	72.6	0	0	0	0	112.3	E166 Q167 I168	S164-E166 PolarHBondContact O-N 2.98Å; S164-Q167 PolarHBondContact O-N 3.46Å; S164-Q167 WeakPolarHBondContact OG-CG 3.31Å; S164-Q167 PolarHBondContact OG-N 3.17Å; S164-Q167 VanDerWaalsContact OG-N 3.15Å; S164-I168 WeakPolarHBondContact O-CG1 3.37Å; S164-I168 PolarHBondContact O-N 3.28Å
165	V	97.2	Very high	97.4	Very high	80 Å²	80	90.4 Å²	90.4	49%	0.485	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-32.7	174.3	-176.2	0	0	0	0	110.6	I168 R169	V165-I168 WeakPolarHBondContact O-CB 3.43Å; V165-I168 PolarHBondContact O-N 2.91Å; V165-R169 WeakPolarHBondContact O-CG 3.37Å; V165-R169 PolarHBondContact O-N 2.95Å
166	E	97.5	Very high	97.4	Very high	116 Å²	116	90.7 Å²	90.7	54%	0.542	47%	0.471	S	S	.	.	H	α-helix	trans	-62.4	-45.2	175.3	-68	60.1	-128.5	0	0	111	S164 I168 R169 E170	S164-E166 PolarHBondContact O-N 2.98Å; E166-I168 VanDerWaalsContact C-N 3.31Å; E166-I168 PolarHBondContact O-N 2.87Å; E166-R169 PolarHBondContact O-N 2.93Å; E166-R169 IonicContact OE1-CZ 3.5Å; E166-R169 IonicContact OE1-NH1 3.17Å; E166-R169 PolarHBondContact OE1-NH1 2.64Å; E166-E170 PolarHBondContact O-N 3.39Å
167	Q	97.4	Very high	97.4	Very high	70 Å²	70	95 Å²	95	33%	0.327	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-36.1	175.3	-71.5	170.5	-33.9	0	0	112	V162 S164 E170 V171	V162-Q167 HydrophobicContact CG1-CB 3.98Å; S164-Q167 PolarHBondContact O-N 3.46Å; S164-Q167 WeakPolarHBondContact OG-CG 3.31Å; S164-Q167 PolarHBondContact OG-N 3.17Å; S164-Q167 VanDerWaalsContact OG-N 3.15Å; Q167-E170 PolarHBondContact O-N 3.32Å; Q167-V171 WeakPolarHBondContact O-CG1 3.45Å; Q167-V171 PolarHBondContact O-N 2.75Å
168	I	97.9	Very high	97.5	Very high	92 Å²	92	87.2 Å²	87.2	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-46.9	173.1	-65.5	171.7	0	0	0	110.2	V162 S164 V165 E166 E170 A172	V162-I168 HydrophobicContact CG1-CB 4.26Å; V162-I168 HydrophobicContact CG1-CG1 3.45Å; V162-I168 VanDerWaalsContact CG1-CG1 3.45Å; S164-I168 WeakPolarHBondContact O-CG1 3.37Å; S164-I168 PolarHBondContact O-N 3.28Å; V165-I168 WeakPolarHBondContact O-CB 3.43Å; V165-I168 PolarHBondContact O-N 2.91Å; E166-I168 VanDerWaalsContact C-N 3.31Å; E166-I168 PolarHBondContact O-N 2.87Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 2.74Å; I168-A172 WeakPolarHBondContact O-CB 3.45Å; I168-A172 PolarHBondContact O-N 2.87Å
169	R	97.9	Very high	97.5	Very high	154 Å²	154	89.6 Å²	89.6	58%	0.581	46%	0.455	S	S	*	.	H	α-helix	trans	-63.8	-37.3	178.6	-67.6	-177.9	-162.8	110.6	-1.9	112	V165 E166 S173	V165-R169 WeakPolarHBondContact O-CG 3.37Å; V165-R169 PolarHBondContact O-N 2.95Å; E166-R169 PolarHBondContact O-N 2.93Å; E166-R169 IonicContact OE1-CZ 3.5Å; E166-R169 IonicContact OE1-NH1 3.17Å; E166-R169 PolarHBondContact OE1-NH1 2.64Å; R169-S173 WeakPolarHBondContact O-CA 3.31Å; R169-S173 WeakPolarHBondContact O-CB 3.46Å; R169-S173 PolarHBondContact O-N 3.46Å
170	E	97.6	Very high	97.5	Very high	150 Å²	150	89.8 Å²	89.8	70%	0.701	46%	0.457	S	S	*	.	H	α-helix	trans	-67.8	-54.2	179.3	-174.6	176.2	-179.5	0	0	111.7	E166 Q167 I168 A172 S173	E166-E170 PolarHBondContact O-N 3.39Å; Q167-E170 PolarHBondContact O-N 3.32Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 2.74Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 3.49Å; E170-S173 WeakPolarHBondContact O-CB 3.35Å; E170-S173 PolarHBondContact O-N 3.5Å; E170-S173 VanDerWaalsContact O-N 3.12Å
171	V	97.6	Very high	97.6	Very high	41 Å²	41	89.4 Å²	89.4	25%	0.248	45%	0.451	C	S	.	.	H	α-helix	trans	-67.6	-32.9	-177.6	75.5	0	0	0	0	112.3	L152 A155 T160 V162 Q167 S173	L152-V171 HydrophobicContact CD2-CB 4.37Å; L152-V171 HydrophobicContact CD2-CG1 3.77Å; L152-V171 HydrophobicContact CD2-CG2 4.02Å; A155-V171 HydrophobicContact CB-CG2 4.04Å; T160-V171 HydrophobicContact CG2-CG2 4.37Å; V162-V171 HydrophobicContact CG1-CG1 4.3Å; V162-V171 HydrophobicContact CG2-CB 4.44Å; V162-V171 HydrophobicContact CG2-CG1 3.98Å; Q167-V171 WeakPolarHBondContact O-CG1 3.45Å; Q167-V171 PolarHBondContact O-N 2.75Å; V171-S173 VanDerWaalsContact C-N 3.34Å
172	A	98.3	Very high	97.8	Very high	24 Å²	24	80.6 Å²	80.6	20%	0.198	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7.8	176.3	0	0	0	0	0	113.3	L152 I168 E170 G174 A175	L152-A172 HydrophobicContact CD1-CB 4.35Å; L152-A172 HydrophobicContact CD2-CB 4.1Å; I168-A172 WeakPolarHBondContact O-CB 3.45Å; I168-A172 PolarHBondContact O-N 2.87Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 3.49Å; A172-G174 PolarHBondContact O-N 3.36Å; A172-A175 WeakPolarHBondContact O-CB 3.39Å; A172-A175 PolarHBondContact O-N 3.18Å; A172-A175 VanDerWaalsContact O-N 3.1Å
173	S	98.2	Very high	98	Very high	73 Å²	73	78.2 Å²	78.2	51%	0.51	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	139.2	-178.3	-177.2	0	0	0	0	111.1	R148 R169 E170 V171	R148-S173 WeakPolarHBondContact CD-O 3.24Å; R148-S173 PolarHBondContact NH1-O 2.79Å; R169-S173 WeakPolarHBondContact O-CA 3.31Å; R169-S173 WeakPolarHBondContact O-CB 3.46Å; R169-S173 PolarHBondContact O-N 3.46Å; E170-S173 WeakPolarHBondContact O-CB 3.35Å; E170-S173 PolarHBondContact O-N 3.5Å; E170-S173 VanDerWaalsContact O-N 3.12Å; V171-S173 VanDerWaalsContact C-N 3.34Å
174	G	97.4	Very high	98.1	Very high	32 Å²	32	70.2 Å²	70.2	33%	0.33	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-9.1	-175.2	0	0	0	0	0	115.3	A172 A176	A172-G174 PolarHBondContact O-N 3.36Å; G174-A176 PolarHBondContact O-N 3Å
175	A	98.5	Very high	98.2	Very high	41 Å²	41	68.1 Å²	68.1	34%	0.339	35%	0.354	S	S	.	.			trans	-63.4	121.9	170.6	0	0	0	0	0	110.8	Y146 R148 A172	Y146-A175 CarbonylContact O-C 3.49Å; Y146-A175 VanDerWaalsContact O-CA 3.3Å; Y146-A175 WeakPolarHBondContact O-CA 3.38Å; R148-A175 HydrophobicContact CG-CB 4.13Å; A172-A175 WeakPolarHBondContact O-CB 3.39Å; A172-A175 PolarHBondContact O-N 3.18Å; A172-A175 VanDerWaalsContact O-N 3.1Å
176	A	98.5	Very high	98.3	Very high	20 Å²	20	64.5 Å²	64.5	17%	0.165	33%	0.331	C	S	.	.			trans	-110.3	144.8	-173.4	0	0	0	0	0	114.9	Y146 R147 G174 I178	Y146-A176 HydrophobicContact CD1-CB 3.94Å; Y146-A176 HydrophobicContact CE1-CB 4.17Å; Y146-A176 PolarHBondContact O-N 3.45Å; R147-A176 PolarHBondContact NE-O 3.33Å; R147-A176 PolarHBondContact NH2-O 2.64Å; G174-A176 PolarHBondContact O-N 3Å; A176-I178 PolarHBondContact O-N 3.27Å
177	R	98.7	Very high	98.4	Very high	205 Å²	205	59.1 Å²	59.1	77%	0.774	31%	0.308	S	S	*	.			trans	-63.9	128.3	171.6	172.3	175.6	-70.5	-173.7	-0.7	109.1	E181	R177-E181 WeakPolarHBondContact O-CG 3.36Å
178	I	98.8	Very high	98.4	Very high	19 Å²	19	55.8 Å²	55.8	10%	0.097	29%	0.292	C	S	.	.			trans	-77.3	-40.7	-177.1	-67.1	163.8	0	0	0	112.8	L143 Y146 A176 G180 E181 F202 F204	L143-I178 HydrophobicContact CD2-CD1 3.44Å; L143-I178 VanDerWaalsContact CD2-CD1 3.44Å; Y146-I178 HydrophobicContact CD1-CG1 3.76Å; Y146-I178 HydrophobicContact CE1-CG1 4.47Å; Y146-I178 HydrophobicContact CG-CD1 4.47Å; Y146-I178 HydrophobicContact CG-CG1 3.8Å; A176-I178 PolarHBondContact O-N 3.27Å; I178-G180 PolarHBondContact O-N 2.71Å; I178-G180 VanDerWaalsContact O-N 3.12Å; I178-E181 VanDerWaalsContact O-CB 3.26Å; I178-E181 WeakPolarHBondContact O-CB 3.4Å; I178-E181 VanDerWaalsContact O-CG 3.23Å; I178-E181 WeakPolarHBondContact O-CG 3.32Å; I178-E181 PolarHBondContact O-N 3.43Å; I178-F202 HydrophobicContact CG2-CB 3.88Å; I178-F202 WeakPolarHBondContact CG2-O 3.36Å; I178-F204 HydrophobicContact CB-CZ 4.49Å; I178-F204 HydrophobicContact CG1-CZ 4.42Å; I178-F204 HydrophobicContact CG2-CD1 4.18Å; I178-F204 HydrophobicContact CG2-CD2 3.6Å; I178-F204 HydrophobicContact CG2-CE1 3.93Å; I178-F204 HydrophobicContact CG2-CE2 3.31Å; I178-F204 HydrophobicContact CG2-CG 4.03Å; I178-F204 HydrophobicContact CG2-CZ 3.49Å; I178-F204 VanDerWaalsContact CG2-CZ 3.49Å
179	R	98.7	Very high	98.4	Very high	183 Å²	183	52.8 Å²	52.8	69%	0.691	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	121.5	-175.9	179.4	178.5	-65	-86.7	-4	110.6
180	G	98.3	Very high	98.4	Very high	58 Å²	58	52.5 Å²	52.5	60%	0.598	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	-10.9	-179.5	0	0	0	0	0	114.4	I178 G203	I178-G180 PolarHBondContact O-N 2.71Å; I178-G180 VanDerWaalsContact O-N 3.12Å; G180-G203 PolarHBondContact N-O 2.82Å
181	E	98.8	Very high	98.5	Very high	52 Å²	52	46.8 Å²	46.8	24%	0.243	26%	0.258	C	S	.	.			trans	-71.7	151.2	174.3	-60.9	-83.6	119	0	0	110.7	Y146 R177 I178 F204 S205 D237	Y146-E181 HydrophobicContact CE1-CB 4.36Å; Y146-E181 HydrophobicContact CE1-CG 3.71Å; Y146-E181 VanDerWaalsContact CE1-OE2 3.23Å; Y146-E181 WeakPolarHBondContact CE1-OE2 3.42Å; Y146-E181 PolarHBondContact OH-OE2 3.38Å; R177-E181 WeakPolarHBondContact O-CG 3.36Å; I178-E181 VanDerWaalsContact O-CB 3.26Å; I178-E181 WeakPolarHBondContact O-CB 3.4Å; I178-E181 VanDerWaalsContact O-CG 3.23Å; I178-E181 WeakPolarHBondContact O-CG 3.32Å; I178-E181 PolarHBondContact O-N 3.43Å; E181-F204 HydrophobicContact CB-CD1 3.86Å; E181-F204 HydrophobicContact CB-CE1 3.74Å; E181-F204 WeakPolarHBondContact O-CA 3.47Å; E181-F204 WeakPolarHBondContact O-CD1 3.32Å; E181-S205 PolarHBondContact O-N 3.18Å; E181-D237 HydrophobicContact CB-CB 4.38Å; E181-D237 VanDerWaalsContact OE2-CB 3.29Å; E181-D237 WeakPolarHBondContact OE2-CB 3.27Å
182	T	98.9	Very high	98.5	Very high	21 Å²	21	44.9 Å²	44.9	13%	0.129	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.2	176.6	-55.2	0	0	0	0	111.1	S205 I207 Q235 D237 C238	T182-S205 CarbonylContact C-O 3.51Å; T182-S205 VanDerWaalsContact CA-O 3.31Å; T182-S205 WeakPolarHBondContact CA-O 3.41Å; T182-I207 HydrophobicContact CG2-CD1 3.8Å; T182-I207 HydrophobicContact CG2-CG1 3.89Å; T182-I207 HydrophobicContact CG2-CG2 3.91Å; T182-Q235 VanDerWaalsContact CB-O 3.25Å; T182-Q235 WeakPolarHBondContact CB-O 3.44Å; T182-Q235 WeakPolarHBondContact CG2-O 3.33Å; T182-D237 PolarHBondContact N-OD2 2.89Å; T182-D237 PolarHBondContact O-N 3.15Å; T182-C238 PolarHBondContact O-N 2.77Å; T182-C238 VanDerWaalsContact O-N 3.15Å
183	L	98.9	Very high	98.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.7	172.5	178.4	63.6	0	0	0	109.5	I142 L185 V195 A199 F204 S205 I207 C238	I142-L183 HydrophobicContact CD1-CD1 3.88Å; I142-L183 HydrophobicContact CD1-CD2 4.02Å; L183-L185 HydrophobicContact CD1-CD2 4.21Å; L183-L185 HydrophobicContact CD2-CD2 3.96Å; L183-L185 HydrophobicContact CG-CD2 3.8Å; L183-L185 HydrophobicContact CG-CG 4.45Å; L183-V195 HydrophobicContact CD2-CG1 4.22Å; L183-A199 HydrophobicContact CD2-CB 3.55Å; L183-F204 HydrophobicContact CB-CB 4.19Å; L183-F204 HydrophobicContact CB-CD1 3.73Å; L183-F204 HydrophobicContact CB-CE1 4.25Å; L183-F204 HydrophobicContact CB-CG 4Å; L183-S205 PolarHBondContact N-O 2.91Å; L183-I207 PolarHBondContact O-N 3.37Å; L183-C238 WeakPolarHBondContact CA-O 3.22Å; L183-C238 HydrophobicContact CD1-CB 3.91Å
184	G	98.9	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.5	175.3	0	0	0	0	0	112.4	I207 S236 C238 V239 S240	G184-I207 WeakPolarHBondContact CA-O 3.44Å; G184-S236 WeakPolarHBondContact CA-OG 3.18Å; G184-S236 PolarHBondContact N-OG 3.29Å; G184-C238 PolarHBondContact N-O 2.92Å; G184-V239 CarbonylContact O-C 3.55Å; G184-V239 WeakPolarHBondContact O-CA 3.4Å; G184-S240 PolarHBondContact O-N 3.46Å
185	L	98.9	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.1	177.6	-53.5	-179.6	0	0	0	110.5	L183 F188 G192 V195 A196 V206 I207 F208 Y209 L232	L183-L185 HydrophobicContact CD1-CD2 4.21Å; L183-L185 HydrophobicContact CD2-CD2 3.96Å; L183-L185 HydrophobicContact CG-CD2 3.8Å; L183-L185 HydrophobicContact CG-CG 4.45Å; L185-F188 HydrophobicContact CD1-CD2 4.13Å; L185-F188 HydrophobicContact CD1-CE2 3.96Å; L185-G192 VanDerWaalsContact CD1-O 3.32Å; L185-G192 WeakPolarHBondContact CD1-O 3.33Å; L185-V195 HydrophobicContact CD1-CG1 4.47Å; L185-V195 HydrophobicContact CD2-CG1 3.98Å; L185-A196 HydrophobicContact CD1-CB 3.87Å; L185-V206 HydrophobicContact CD1-CG1 3.78Å; L185-V206 HydrophobicContact CG-CG1 4.21Å; L185-I207 PolarHBondContact N-O 3.04Å; L185-F208 HydrophobicContact CB-CB 4.08Å; L185-F208 CarbonylContact O-C 3.54Å; L185-F208 WeakPolarHBondContact O-CA 3.21Å; L185-F208 WeakPolarHBondContact O-CB 3.32Å; L185-Y209 PolarHBondContact O-N 2.96Å; L185-L232 VanDerWaalsContact O-CD1 3.29Å; L185-L232 WeakPolarHBondContact O-CD1 3.23Å
186	I	98.9	Very high	98.7	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.8	174.1	-63.2	167.1	0	0	0	108.4	Y209 L229 L232 L233 V239 S240 L241 H242 C243 L252 I253	I186-Y209 HydrophobicContact CG2-CD1 4.28Å; I186-L229 HydrophobicContact CD1-CD1 3.49Å; I186-L229 VanDerWaalsContact CD1-CD1 3.49Å; I186-L229 HydrophobicContact CG1-CD1 4Å; I186-L232 HydrophobicContact CD1-CD2 4.02Å; I186-L232 HydrophobicContact CG1-CD1 4.07Å; I186-L232 HydrophobicContact CG1-CD2 3.72Å; I186-L233 HydrophobicContact CD1-CD2 4.17Å; I186-V239 HydrophobicContact CD1-CG1 3.62Å; I186-V239 HydrophobicContact CG1-CG1 4.31Å; I186-S240 PolarHBondContact N-O 3.13Å; I186-L241 HydrophobicContact CB-CD2 3.9Å; I186-L241 HydrophobicContact CD1-CD2 3.59Å; I186-L241 HydrophobicContact CG1-CD2 4.26Å; I186-L241 HydrophobicContact CG2-CD2 4.36Å; I186-H242 CarbonylContact O-C 3.38Å; I186-H242 WeakPolarHBondContact O-CA 3.39Å; I186-H242 PolarHBondContact O-N 2.96Å; I186-C243 PolarHBondContact O-N 2.96Å; I186-C243 VanDerWaalsContact O-N 3.07Å; I186-L252 HydrophobicContact CG2-CD2 3.61Å; I186-I253 HydrophobicContact CD1-CD1 4.12Å
187	G	98.6	Very high	98.7	Very high	4 Å²	4	43.3 Å²	43.3	4%	0.041	22%	0.216	C	C	.	.			trans	88.8	125.9	-164.5	0	0	0	0	0	111.1	Y209	G187-Y209 PolarHBondContact N-O 3.19Å
188	F	98.6	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.			trans	-128.6	38.4	-175.2	-157.9	-112.6	0	0	0	111.9	L185 Q193 A196 F208 D210 L213 I217 L221 V223	L185-F188 HydrophobicContact CD1-CD2 4.13Å; L185-F188 HydrophobicContact CD1-CE2 3.96Å; F188-Q193 HydrophobicContact CD1-CG 3.87Å; F188-Q193 HydrophobicContact CE1-CG 3.72Å; F188-Q193 HydrophobicContact CE2-CG 4.35Å; F188-Q193 HydrophobicContact CG-CG 4.27Å; F188-Q193 HydrophobicContact CZ-CG 3.95Å; F188-Q193 WeakPolarHBondContact O-CG 3.47Å; F188-Q193 PolarHBondContact O-NE2 2.59Å; F188-A196 HydrophobicContact CE2-CB 3.72Å; F188-A196 HydrophobicContact CZ-CB 4.06Å; F188-F208 HydrophobicContact CB-CB 4.16Å; F188-F208 HydrophobicContact CB-CD2 3.33Å; F188-F208 HydrophobicContact CB-CE2 3.8Å; F188-F208 HydrophobicContact CB-CG 3.83Å; F188-F208 HydrophobicContact CD1-CD1 4.05Å; F188-F208 AromaticContact CD1-CD2 3.91Å; F188-F208 HydrophobicContact CD1-CD2 3.91Å; F188-F208 AromaticContact CD1-CE1 3.97Å; F188-F208 HydrophobicContact CD1-CE1 3.97Å; F188-F208 AromaticContact CD1-CE2 3.82Å; F188-F208 HydrophobicContact CD1-CE2 3.82Å; F188-F208 AromaticContact CD1-CG 4Å; F188-F208 HydrophobicContact CD1-CG 4Å; F188-F208 AromaticContact CD1-CZ 3.84Å; F188-F208 HydrophobicContact CD1-CZ 3.84Å; F188-F208 HydrophobicContact CD2-CB 3.62Å; F188-F208 HydrophobicContact CD2-CD1 4.09Å; F188-F208 HydrophobicContact CD2-CD2 4.1Å; F188-F208 AromaticContact CD2-CG 3.68Å; F188-F208 HydrophobicContact CD2-CG 3.68Å; F188-F208 HydrophobicContact CE1-CD1 4.12Å; F188-F208 AromaticContact CE1-CE1 3.99Å; F188-F208 HydrophobicContact CE1-CE1 3.99Å; F188-F208 HydrophobicContact CE1-CG 4.48Å; F188-F208 HydrophobicContact CE1-CZ 4.25Å; F188-F208 HydrophobicContact CE2-CB 4.2Å; F188-F208 HydrophobicContact CE2-CD1 4.17Å; F188-F208 HydrophobicContact CE2-CG 4.2Å; F188-F208 HydrophobicContact CG-CB 3.98Å; F188-F208 HydrophobicContact CG-CD1 4.04Å; F188-F208 AromaticContact CG-CD2 3.53Å; F188-F208 HydrophobicContact CG-CD2 3.53Å; F188-F208 HydrophobicContact CG-CE1 4.38Å; F188-F208 AromaticContact CG-CE2 3.92Å; F188-F208 HydrophobicContact CG-CE2 3.92Å; F188-F208 AromaticContact CG-CG 3.57Å; F188-F208 HydrophobicContact CG-CG 3.57Å; F188-F208 HydrophobicContact CG-CZ 4.32Å; F188-F208 HydrophobicContact CZ-CD1 4.2Å; F188-F208 HydrophobicContact CZ-CE1 4.45Å; F188-D210 HydrophobicContact CB-CB 4.08Å; F188-D210 PolarHBondContact N-OD2 3.46Å; F188-L213 HydrophobicContact CB-CD1 3.71Å; F188-L213 HydrophobicContact CD1-CD1 4.23Å; F188-L213 HydrophobicContact CG-CD1 4.48Å; F188-L213 WeakPolarHBondContact O-CD1 3.3Å; F188-I217 HydrophobicContact CD1-CD1 4.46Å; F188-I217 HydrophobicContact CD1-CG2 4.14Å; F188-I217 HydrophobicContact CE1-CG1 4.4Å; F188-I217 HydrophobicContact CE1-CG2 4.4Å; F188-L221 HydrophobicContact CE1-CD1 3.67Å; F188-L221 HydrophobicContact CZ-CD1 3.77Å; F188-V223 HydrophobicContact CE1-CG2 4.03Å; F188-V223 HydrophobicContact CE2-CG2 4.41Å; F188-V223 HydrophobicContact CZ-CG2 3.63Å
189	G	97.8	Very high	98.7	Very high	29 Å²	29	35.3 Å²	35.3	30%	0.299	19%	0.185	S	C	.	.	S	Bend	trans	-75.5	-153.1	168.9	0	0	0	0	0	112.8	T191 G192 Q193	G189-T191 PolarHBondContact O-N 3.23Å; G189-G192 PolarHBondContact O-N 3.26Å; G189-Q193 WeakPolarHBondContact O-CB 3.44Å; G189-Q193 VanDerWaalsContact O-CG 3.23Å; G189-Q193 WeakPolarHBondContact O-CG 3.47Å; G189-Q193 PolarHBondContact O-N 3.04Å; G189-Q193 PolarHBondContact O-NE2 3.42Å
190	R	98.3	Very high	98.6	Very high	148 Å²	148	30.5 Å²	30.5	56%	0.558	17%	0.169	S	C	*	.	H	α-helix	trans	-55.5	-51	-173.7	-62.8	178.2	-174.5	82.2	2.1	113.3	P127 V131 A194	P127-R190 VanDerWaalsContact O-CD 3.23Å; P127-R190 WeakPolarHBondContact O-CD 3.2Å; V131-R190 HydrophobicContact CG1-CB 3.89Å; V131-R190 HydrophobicContact CG2-CB 3.81Å; R190-A194 WeakPolarHBondContact O-CB 3.29Å; R190-A194 PolarHBondContact O-N 2.96Å; R190-A194 VanDerWaalsContact O-N 3.1Å
191	T	98.7	Very high	98.6	Very high	30 Å²	30	31.9 Å²	31.9	18%	0.184	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-46.4	-178.5	47.1	0	0	0	0	111.8	T134 G189 Q193 A194 V195	T134-T191 HydrophobicContact CG2-CG2 3.99Å; G189-T191 PolarHBondContact O-N 3.23Å; T191-Q193 VanDerWaalsContact C-N 3.33Å; T191-Q193 PolarHBondContact O-N 2.94Å; T191-A194 PolarHBondContact O-N 3.31Å; T191-V195 WeakPolarHBondContact O-CG2 3.42Å; T191-V195 PolarHBondContact O-N 2.89Å
192	G	98.7	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.9	-42.6	176.9	0	0	0	0	0	112.9	L185 G189 V195 A196	L185-G192 VanDerWaalsContact CD1-O 3.32Å; L185-G192 WeakPolarHBondContact CD1-O 3.33Å; G189-G192 PolarHBondContact O-N 3.26Å; G192-V195 PolarHBondContact O-N 2.75Å; G192-A196 WeakPolarHBondContact O-CB 3.41Å; G192-A196 PolarHBondContact O-N 2.7Å
193	Q	98.6	Very high	98.6	Very high	57 Å²	57	33.3 Å²	33.3	27%	0.266	18%	0.183	S	C	.	.	H	α-helix	trans	-65.3	-43.9	174.8	-69.2	171.3	43.5	0	0	112.2	F188 G189 T191 V195 A196 V197 L221	F188-Q193 HydrophobicContact CD1-CG 3.87Å; F188-Q193 HydrophobicContact CE1-CG 3.72Å; F188-Q193 HydrophobicContact CE2-CG 4.35Å; F188-Q193 HydrophobicContact CG-CG 4.27Å; F188-Q193 HydrophobicContact CZ-CG 3.95Å; F188-Q193 WeakPolarHBondContact O-CG 3.47Å; F188-Q193 PolarHBondContact O-NE2 2.59Å; G189-Q193 WeakPolarHBondContact O-CB 3.44Å; G189-Q193 VanDerWaalsContact O-CG 3.23Å; G189-Q193 WeakPolarHBondContact O-CG 3.47Å; G189-Q193 PolarHBondContact O-N 3.04Å; G189-Q193 PolarHBondContact O-NE2 3.42Å; T191-Q193 VanDerWaalsContact C-N 3.33Å; T191-Q193 PolarHBondContact O-N 2.94Å; Q193-V195 VanDerWaalsContact C-N 3.31Å; Q193-V195 PolarHBondContact O-N 3.03Å; Q193-A196 WeakPolarHBondContact O-CB 3.19Å; Q193-A196 PolarHBondContact O-N 2.84Å; Q193-V197 WeakPolarHBondContact O-CG2 3.15Å; Q193-V197 PolarHBondContact O-N 3.32Å; Q193-L221 HydrophobicContact CB-CD1 4.01Å; Q193-L221 HydrophobicContact CG-CD1 3.62Å
194	A	98.7	Very high	98.6	Very high	13 Å²	13	33.9 Å²	33.9	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-38.7	177.8	0	0	0	0	0	112.4	V131 A135 R190 T191 R198	V131-A194 HydrophobicContact CG1-CB 4.09Å; A135-A194 HydrophobicContact CB-CB 3.59Å; R190-A194 WeakPolarHBondContact O-CB 3.29Å; R190-A194 PolarHBondContact O-N 2.96Å; R190-A194 VanDerWaalsContact O-N 3.1Å; T191-A194 PolarHBondContact O-N 3.31Å; A194-R198 WeakPolarHBondContact O-CD 3.47Å; A194-R198 WeakPolarHBondContact O-CG 3.25Å; A194-R198 PolarHBondContact O-N 3.41Å
195	V	98.9	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-45.3	172.7	171.1	0	0	0	0	110.9	A135 T138 I139 I142 L183 L185 T191 G192 Q193 V197 R198 A199	A135-V195 HydrophobicContact CB-CG2 3.8Å; T138-V195 HydrophobicContact CG2-CG1 4.37Å; T138-V195 HydrophobicContact CG2-CG2 3.96Å; I139-V195 HydrophobicContact CD1-CG1 4.03Å; I142-V195 HydrophobicContact CD1-CG1 4.47Å; L183-V195 HydrophobicContact CD2-CG1 4.22Å; L185-V195 HydrophobicContact CD1-CG1 4.47Å; L185-V195 HydrophobicContact CD2-CG1 3.98Å; T191-V195 WeakPolarHBondContact O-CG2 3.42Å; T191-V195 PolarHBondContact O-N 2.89Å; G192-V195 PolarHBondContact O-N 2.75Å; Q193-V195 VanDerWaalsContact C-N 3.31Å; Q193-V195 PolarHBondContact O-N 3.03Å; V195-V197 VanDerWaalsContact C-N 3.34Å; V195-V197 PolarHBondContact O-N 3.41Å; V195-R198 PolarHBondContact O-N 3.42Å; V195-A199 VanDerWaalsContact O-CB 3.3Å; V195-A199 WeakPolarHBondContact O-CB 3.26Å; V195-A199 PolarHBondContact O-N 3.12Å
196	A	98.8	Very high	98.6	Very high	2 Å²	2	37 Å²	37	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-42.4	179.7	0	0	0	0	0	113.1	L185 F188 G192 Q193 R198 K200 V206 V223	L185-A196 HydrophobicContact CD1-CB 3.87Å; F188-A196 HydrophobicContact CE2-CB 3.72Å; F188-A196 HydrophobicContact CZ-CB 4.06Å; G192-A196 WeakPolarHBondContact O-CB 3.41Å; G192-A196 PolarHBondContact O-N 2.7Å; Q193-A196 WeakPolarHBondContact O-CB 3.19Å; Q193-A196 PolarHBondContact O-N 2.84Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 2.83Å; A196-K200 WeakPolarHBondContact O-CG 3.21Å; A196-K200 PolarHBondContact O-N 3.29Å; A196-V206 HydrophobicContact CB-CG1 3.86Å; A196-V223 HydrophobicContact CB-CG1 4.43Å
197	V	98.6	Very high	98.6	Very high	86 Å²	86	37 Å²	37	52%	0.521	21%	0.207	S	C	.	.	H	α-helix	trans	-59.6	-44.8	176.9	171.9	0	0	0	0	110.9	Q193 V195 L221	Q193-V197 WeakPolarHBondContact O-CG2 3.15Å; Q193-V197 PolarHBondContact O-N 3.32Å; V195-V197 VanDerWaalsContact C-N 3.34Å; V195-V197 PolarHBondContact O-N 3.41Å; V197-L221 HydrophobicContact CG2-CD2 4.21Å
198	R	98.8	Very high	98.6	Very high	56 Å²	56	36.8 Å²	36.8	21%	0.211	21%	0.205	C	C	.	.	H	α-helix	trans	-70.4	-45.8	179.9	-70.1	162.6	167	72.4	-2.3	112.4	E132 D136 I139 A194 V195 A196 K200 A201 F202	E132-R198 IonicContact OE1-CZ 3.72Å; E132-R198 IonicContact OE1-NH1 3.97Å; E132-R198 PolarHBondContact OE1-NH1 3.33Å; E132-R198 IonicContact OE1-NH2 3.98Å; E132-R198 PolarHBondContact OE1-NH2 2.82Å; D136-R198 IonicContact OD1-CZ 2.68Å; D136-R198 IonicContact OD1-NE 3.44Å; D136-R198 PolarHBondContact OD1-NE 3.29Å; D136-R198 IonicContact OD1-NH2 2.73Å; D136-R198 PolarHBondContact OD1-NH2 3.42Å; D136-R198 IonicContact OD2-NH2 3.1Å; I139-R198 HydrophobicContact CD1-CB 4.03Å; I139-R198 HydrophobicContact CG1-CB 3.87Å; A194-R198 WeakPolarHBondContact O-CD 3.47Å; A194-R198 WeakPolarHBondContact O-CG 3.25Å; A194-R198 PolarHBondContact O-N 3.41Å; V195-R198 PolarHBondContact O-N 3.42Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 2.83Å; R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 PolarHBondContact O-N 3.07Å; R198-A201 PolarHBondContact O-N 2.99Å; R198-F202 WeakPolarHBondContact O-CD2 3.44Å
199	A	98.8	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-34.6	-174.8	0	0	0	0	0	113.1	I139 L183 V195 A201 F202 F204 V206	I139-A199 HydrophobicContact CD1-CB 4.07Å; L183-A199 HydrophobicContact CD2-CB 3.55Å; V195-A199 VanDerWaalsContact O-CB 3.3Å; V195-A199 WeakPolarHBondContact O-CB 3.26Å; V195-A199 PolarHBondContact O-N 3.12Å; A199-A201 VanDerWaalsContact C-N 3.27Å; A199-A201 PolarHBondContact O-N 3.5Å; A199-F202 PolarHBondContact O-N 3.35Å; A199-F202 VanDerWaalsContact O-N 3.09Å; A199-F204 HydrophobicContact CB-CB 4.31Å; A199-F204 HydrophobicContact CB-CD2 4.04Å; A199-V206 HydrophobicContact CB-CG2 4Å
200	K	98.2	Very high	98.7	Very high	82 Å²	82	38.5 Å²	38.5	36%	0.357	20%	0.204	S	C	.	.	H	α-helix	trans	-56.4	-37.8	178.4	-77.4	176.9	171.9	-154.3	0	113.7	A196 R198 F202 G203 V206 L221 G222 V223	A196-K200 WeakPolarHBondContact O-CG 3.21Å; A196-K200 PolarHBondContact O-N 3.29Å; R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 PolarHBondContact O-N 3.07Å; K200-F202 PolarHBondContact O-N 3.15Å; K200-G203 PolarHBondContact O-N 3.4Å; K200-V206 HydrophobicContact CG-CG2 4.24Å; K200-L221 PolarHBondContact NZ-O 2.83Å; K200-G222 PolarHBondContact NZ-O 3.44Å; K200-V223 VanDerWaalsContact CE-CG1 3.42Å
201	A	98.5	Very high	98.6	Very high	87 Å²	87	34.8 Å²	34.8	72%	0.719	20%	0.199	S	C	*	.	H	α-helix	trans	-64.5	-27.5	-179.7	0	0	0	0	0	112.6	R198 A199 G203	R198-A201 PolarHBondContact O-N 2.99Å; A199-A201 VanDerWaalsContact C-N 3.27Å; A199-A201 PolarHBondContact O-N 3.5Å; A201-G203 VanDerWaalsContact C-N 3.26Å; A201-G203 PolarHBondContact O-N 3Å
202	F	98.7	Very high	98.5	Very high	85 Å²	85	40.5 Å²	40.5	37%	0.373	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.3	175.3	-61.5	-85.8	0	0	0	113.2	I139 L143 I178 R198 A199 K200 F204	I139-F202 HydrophobicContact CG2-CE2 3.9Å; I139-F202 HydrophobicContact CG2-CZ 4.21Å; L143-F202 HydrophobicContact CD1-CE1 3.74Å; L143-F202 HydrophobicContact CD1-CZ 3.78Å; L143-F202 HydrophobicContact CD2-CD1 3.89Å; L143-F202 HydrophobicContact CD2-CE1 3.94Å; L143-F202 HydrophobicContact CD2-CG 4.41Å; L143-F202 HydrophobicContact CD2-CZ 4.49Å; L143-F202 HydrophobicContact CG-CE1 4.46Å; I178-F202 HydrophobicContact CG2-CB 3.88Å; I178-F202 WeakPolarHBondContact CG2-O 3.36Å; R198-F202 WeakPolarHBondContact O-CD2 3.44Å; A199-F202 PolarHBondContact O-N 3.35Å; A199-F202 VanDerWaalsContact O-N 3.09Å; K200-F202 PolarHBondContact O-N 3.15Å; F202-F204 HydrophobicContact CB-CD2 4.18Å; F202-F204 HydrophobicContact CB-CE2 4.45Å
203	G	98.5	Very high	98.4	Very high	17 Å²	17	42.8 Å²	42.8	18%	0.175	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	20.5	179.9	0	0	0	0	0	114.6	G180 K200 A201	G180-G203 PolarHBondContact N-O 2.82Å; K200-G203 PolarHBondContact O-N 3.4Å; A201-G203 VanDerWaalsContact C-N 3.26Å; A201-G203 PolarHBondContact O-N 3Å
204	F	98.9	Very high	98.2	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	26%	0.257	C	S	.	.			trans	-68.2	140	168.6	-80.1	-72.1	0	0	0	111.2	I142 Y146 I178 E181 L183 A199 F202 V206	I142-F204 HydrophobicContact CG2-CE2 3.89Å; I142-F204 HydrophobicContact CG2-CZ 3.67Å; Y146-F204 AromaticContact CD2-CZ 4Å; Y146-F204 HydrophobicContact CD2-CZ 4Å; Y146-F204 AromaticContact CE2-CE1 3.83Å; Y146-F204 HydrophobicContact CE2-CE1 3.83Å; Y146-F204 AromaticContact CE2-CZ 3.59Å; Y146-F204 HydrophobicContact CE2-CZ 3.59Å; Y146-F204 AromaticContact CZ-CE1 3.82Å; Y146-F204 AromaticContact CZ-CZ 3.99Å; I178-F204 HydrophobicContact CB-CZ 4.49Å; I178-F204 HydrophobicContact CG1-CZ 4.42Å; I178-F204 HydrophobicContact CG2-CD1 4.18Å; I178-F204 HydrophobicContact CG2-CD2 3.6Å; I178-F204 HydrophobicContact CG2-CE1 3.93Å; I178-F204 HydrophobicContact CG2-CE2 3.31Å; I178-F204 HydrophobicContact CG2-CG 4.03Å; I178-F204 HydrophobicContact CG2-CZ 3.49Å; I178-F204 VanDerWaalsContact CG2-CZ 3.49Å; E181-F204 HydrophobicContact CB-CD1 3.86Å; E181-F204 HydrophobicContact CB-CE1 3.74Å; E181-F204 WeakPolarHBondContact O-CA 3.47Å; E181-F204 WeakPolarHBondContact O-CD1 3.32Å; L183-F204 HydrophobicContact CB-CB 4.19Å; L183-F204 HydrophobicContact CB-CD1 3.73Å; L183-F204 HydrophobicContact CB-CE1 4.25Å; L183-F204 HydrophobicContact CB-CG 4Å; A199-F204 HydrophobicContact CB-CB 4.31Å; A199-F204 HydrophobicContact CB-CD2 4.04Å; F202-F204 HydrophobicContact CB-CD2 4.18Å; F202-F204 HydrophobicContact CB-CE2 4.45Å; F204-V206 HydrophobicContact CB-CG2 4.29Å
205	S	98.7	Very high	98	Very high	59 Å²	59	53.1 Å²	53.1	41%	0.413	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	113.2	157	-172.9	0	0	0	0	107.9	E181 T182 L183	E181-S205 PolarHBondContact O-N 3.18Å; T182-S205 CarbonylContact C-O 3.51Å; T182-S205 VanDerWaalsContact CA-O 3.31Å; T182-S205 WeakPolarHBondContact CA-O 3.41Å; L183-S205 PolarHBondContact N-O 2.91Å
206	V	98.8	Very high	97.8	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.7	-177.1	-177.9	0	0	0	0	110	L185 A196 A199 K200 F204 V223 Q224	L185-V206 HydrophobicContact CD1-CG1 3.78Å; L185-V206 HydrophobicContact CG-CG1 4.21Å; A196-V206 HydrophobicContact CB-CG1 3.86Å; A199-V206 HydrophobicContact CB-CG2 4Å; K200-V206 HydrophobicContact CG-CG2 4.24Å; F204-V206 HydrophobicContact CB-CG2 4.29Å; V206-V223 HydrophobicContact CB-CG1 3.95Å; V206-V223 HydrophobicContact CG1-CG1 4.04Å; V206-Q224 PolarHBondContact O-N 2.9Å
207	I	98.8	Very high	97.6	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.8	170.5	74.2	175.3	0	0	0	110.1	T182 L183 G184 L185 Q224 L232 Q235	T182-I207 HydrophobicContact CG2-CD1 3.8Å; T182-I207 HydrophobicContact CG2-CG1 3.89Å; T182-I207 HydrophobicContact CG2-CG2 3.91Å; L183-I207 PolarHBondContact O-N 3.37Å; G184-I207 WeakPolarHBondContact CA-O 3.44Å; L185-I207 PolarHBondContact N-O 3.04Å; I207-Q224 CarbonylContact C-O 3.52Å; I207-Q224 WeakPolarHBondContact CA-O 3.38Å; I207-Q224 HydrophobicContact CG2-CB 4Å; I207-Q224 HydrophobicContact CG2-CG 4.41Å; I207-L232 HydrophobicContact CD1-CG 4.33Å; I207-L232 HydrophobicContact CG1-CG 4.41Å; I207-Q235 HydrophobicContact CD1-CB 3.57Å
208	F	98.9	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.6	176.3	78.2	-86.2	0	0	0	113.9	L185 F188 D210 L213 I217 E218 V223 Q224 R225 V226	L185-F208 HydrophobicContact CB-CB 4.08Å; L185-F208 CarbonylContact O-C 3.54Å; L185-F208 WeakPolarHBondContact O-CA 3.21Å; L185-F208 WeakPolarHBondContact O-CB 3.32Å; F188-F208 HydrophobicContact CB-CB 4.16Å; F188-F208 HydrophobicContact CB-CD2 3.33Å; F188-F208 HydrophobicContact CB-CE2 3.8Å; F188-F208 HydrophobicContact CB-CG 3.83Å; F188-F208 HydrophobicContact CD1-CD1 4.05Å; F188-F208 AromaticContact CD1-CD2 3.91Å; F188-F208 HydrophobicContact CD1-CD2 3.91Å; F188-F208 AromaticContact CD1-CE1 3.97Å; F188-F208 HydrophobicContact CD1-CE1 3.97Å; F188-F208 AromaticContact CD1-CE2 3.82Å; F188-F208 HydrophobicContact CD1-CE2 3.82Å; F188-F208 AromaticContact CD1-CG 4Å; F188-F208 HydrophobicContact CD1-CG 4Å; F188-F208 AromaticContact CD1-CZ 3.84Å; F188-F208 HydrophobicContact CD1-CZ 3.84Å; F188-F208 HydrophobicContact CD2-CB 3.62Å; F188-F208 HydrophobicContact CD2-CD1 4.09Å; F188-F208 HydrophobicContact CD2-CD2 4.1Å; F188-F208 AromaticContact CD2-CG 3.68Å; F188-F208 HydrophobicContact CD2-CG 3.68Å; F188-F208 HydrophobicContact CE1-CD1 4.12Å; F188-F208 AromaticContact CE1-CE1 3.99Å; F188-F208 HydrophobicContact CE1-CE1 3.99Å; F188-F208 HydrophobicContact CE1-CG 4.48Å; F188-F208 HydrophobicContact CE1-CZ 4.25Å; F188-F208 HydrophobicContact CE2-CB 4.2Å; F188-F208 HydrophobicContact CE2-CD1 4.17Å; F188-F208 HydrophobicContact CE2-CG 4.2Å; F188-F208 HydrophobicContact CG-CB 3.98Å; F188-F208 HydrophobicContact CG-CD1 4.04Å; F188-F208 AromaticContact CG-CD2 3.53Å; F188-F208 HydrophobicContact CG-CD2 3.53Å; F188-F208 HydrophobicContact CG-CE1 4.38Å; F188-F208 AromaticContact CG-CE2 3.92Å; F188-F208 HydrophobicContact CG-CE2 3.92Å; F188-F208 AromaticContact CG-CG 3.57Å; F188-F208 HydrophobicContact CG-CG 3.57Å; F188-F208 HydrophobicContact CG-CZ 4.32Å; F188-F208 HydrophobicContact CZ-CD1 4.2Å; F188-F208 HydrophobicContact CZ-CE1 4.45Å; F208-D210 HydrophobicContact CD2-CB 4.12Å; F208-D210 HydrophobicContact CE2-CB 4.24Å; F208-L213 HydrophobicContact CE2-CD1 4.44Å; F208-I217 HydrophobicContact CE2-CG2 4.46Å; F208-I217 HydrophobicContact CZ-CG2 3.88Å; F208-E218 HydrophobicContact CE1-CB 3.57Å; F208-E218 HydrophobicContact CZ-CB 3.87Å; F208-V223 HydrophobicContact CD1-CG2 3.76Å; F208-V223 HydrophobicContact CE1-CG2 3.7Å; F208-Q224 WeakPolarHBondContact CD1-O 3.32Å; F208-Q224 PolarHBondContact N-O 2.73Å; F208-R225 HydrophobicContact CD1-CB 4.33Å; F208-R225 HydrophobicContact CD2-CG 4.27Å; F208-R225 HydrophobicContact CE1-CB 3.66Å; F208-R225 HydrophobicContact CE1-CG 4.03Å; F208-R225 HydrophobicContact CE2-CB 4.22Å; F208-R225 HydrophobicContact CE2-CG 3.63Å; F208-R225 HydrophobicContact CZ-CB 3.61Å; F208-R225 HydrophobicContact CZ-CG 3.51Å; F208-V226 WeakPolarHBondContact O-CG2 3.27Å; F208-V226 PolarHBondContact O-N 2.96Å
209	Y	98.8	Very high	97.2	Very high	46 Å²	46	59.3 Å²	59.3	18%	0.18	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.1	170.7	168.5	-111.3	0	0	0	108.4	L185 I186 G187 P211 Y227 L229 L232	L185-Y209 PolarHBondContact O-N 2.96Å; I186-Y209 HydrophobicContact CG2-CD1 4.28Å; G187-Y209 PolarHBondContact N-O 3.19Å; Y209-P211 HydrophobicContact CE1-CG 4.33Å; Y209-P211 HydrophobicContact CE2-CB 4.23Å; Y209-P211 HydrophobicContact CE2-CG 4.44Å; Y209-Y227 WeakPolarHBondContact CE2-O 3.45Å; Y209-L229 HydrophobicContact CD1-CB 4.25Å; Y209-L229 HydrophobicContact CD1-CD1 4.15Å; Y209-L229 HydrophobicContact CE1-CB 4Å; Y209-L229 HydrophobicContact CE1-CD1 4.44Å; Y209-L232 VanDerWaalsContact N-CD1 3.29Å
210	D	98.5	Very high	97.1	Very high	18 Å²	18	64.4 Å²	64.4	10%	0.096	34%	0.338	C	S	.	.			trans	-147.1	108	171.1	-165.6	-42.8	0	0	0	108.4	F188 F208 Y212 L213 R225	F188-D210 HydrophobicContact CB-CB 4.08Å; F188-D210 PolarHBondContact N-OD2 3.46Å; F208-D210 HydrophobicContact CD2-CB 4.12Å; F208-D210 HydrophobicContact CE2-CB 4.24Å; D210-Y212 VanDerWaalsContact C-N 3.26Å; D210-Y212 PolarHBondContact O-N 3.5Å; D210-Y212 PolarHBondContact OD1-N 3.32Å; D210-L213 HydrophobicContact CB-CB 4.36Å; D210-L213 HydrophobicContact CB-CD1 3.77Å; D210-L213 HydrophobicContact CB-CG 4.02Å; D210-L213 VanDerWaalsContact CG-CG 3.5Å; D210-L213 PolarHBondContact OD1-N 3.03Å; D210-L213 WeakPolarHBondContact OD2-CD1 3.48Å; D210-R225 PolarHBondContact O-NH2 3.35Å
211	P	97.6	Very high	97	Very high	70 Å²	70	63 Å²	63	46%	0.455	33%	0.334	S	S	.	.	S	Bend	trans	-77	-10.9	-176.1	31.7	-35.1	0	0	0	113.3	Y209	Y209-P211 HydrophobicContact CE1-CG 4.33Å; Y209-P211 HydrophobicContact CE2-CB 4.23Å; Y209-P211 HydrophobicContact CE2-CG 4.44Å
212	Y	96.8	Very high	96.9	Very high	150 Å²	150	61.4 Å²	61.4	59%	0.588	33%	0.327	S	S	*	.	S	Bend	trans	-102.3	-14.1	-174.5	-55.6	-62.9	0	0	0	113.4	D210	D210-Y212 VanDerWaalsContact C-N 3.26Å; D210-Y212 PolarHBondContact O-N 3.5Å; D210-Y212 PolarHBondContact OD1-N 3.32Å
213	L	95.9	Very high	96.8	Very high	48 Å²	48	58.1 Å²	58.1	25%	0.251	31%	0.314	S	S	.	.	S	Bend	trans	-75.7	142.9	177.1	-71.8	177.4	0	0	0	112.7	F188 F208 D210 I217 R225	F188-L213 HydrophobicContact CB-CD1 3.71Å; F188-L213 HydrophobicContact CD1-CD1 4.23Å; F188-L213 HydrophobicContact CG-CD1 4.48Å; F188-L213 WeakPolarHBondContact O-CD1 3.3Å; F208-L213 HydrophobicContact CE2-CD1 4.44Å; D210-L213 HydrophobicContact CB-CB 4.36Å; D210-L213 HydrophobicContact CB-CD1 3.77Å; D210-L213 HydrophobicContact CB-CG 4.02Å; D210-L213 VanDerWaalsContact CG-CG 3.5Å; D210-L213 PolarHBondContact OD1-N 3.03Å; D210-L213 WeakPolarHBondContact OD2-CD1 3.48Å; L213-I217 HydrophobicContact CD1-CG2 4.19Å; L213-R225 PolarHBondContact O-NH2 2.71Å
214	Q	95	Very high	96.8	Very high	175 Å²	175	62 Å²	62	82%	0.818	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66	150.6	167.6	-63.9	177.7	0.3	0	0	110.6
215	D	94.1	Very high	96.8	Very high	112 Å²	112	62.6 Å²	62.6	60%	0.599	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	146.8	176.9	-65.6	-17.7	0	0	0	112.2	R225	D215-R225 IonicContact OD1-CZ 2.77Å; D215-R225 IonicContact OD1-NH1 3.64Å; D215-R225 PolarHBondContact OD1-NH1 2.87Å
216	G	94.4	Very high	96.8	Very high	17 Å²	17	60.2 Å²	60.2	18%	0.175	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.9	-21.6	172.6	0	0	0	0	0	114.8	E218 R219 S220	G216-E218 WeakPolarHBondContact CA-OE1 3.01Å; G216-E218 PolarHBondContact N-OE1 3.07Å; G216-E218 PolarHBondContact N-OE2 2.81Å; G216-E218 PolarHBondContact O-N 2.77Å; G216-R219 WeakPolarHBondContact O-CB 3.39Å; G216-R219 PolarHBondContact O-N 3.21Å; G216-R219 VanDerWaalsContact O-N 3.1Å; G216-S220 PolarHBondContact O-N 3.41Å
217	I	94.6	Very high	96.8	Very high	37 Å²	37	66.8 Å²	66.8	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-32.5	-179.2	-162.1	164.7	0	0	0	112.5	F188 F208 L213 R219 S220 L221	F188-I217 HydrophobicContact CD1-CD1 4.46Å; F188-I217 HydrophobicContact CD1-CG2 4.14Å; F188-I217 HydrophobicContact CE1-CG1 4.4Å; F188-I217 HydrophobicContact CE1-CG2 4.4Å; F208-I217 HydrophobicContact CE2-CG2 4.46Å; F208-I217 HydrophobicContact CZ-CG2 3.88Å; L213-I217 HydrophobicContact CD1-CG2 4.19Å; I217-R219 VanDerWaalsContact C-N 3.26Å; I217-R219 PolarHBondContact O-N 3.06Å; I217-S220 PolarHBondContact O-N 3.39Å; I217-L221 HydrophobicContact CG1-CD1 4.39Å; I217-L221 PolarHBondContact O-N 3.07Å; I217-L221 VanDerWaalsContact O-N 3.13Å
218	E	94.7	Very high	96.8	Very high	24 Å²	24	69.5 Å²	69.5	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-35.7	175.4	68.4	-71.6	158.3	0	0	112.4	F208 G216 G222 V223 R225	F208-E218 HydrophobicContact CE1-CB 3.57Å; F208-E218 HydrophobicContact CZ-CB 3.87Å; G216-E218 WeakPolarHBondContact CA-OE1 3.01Å; G216-E218 PolarHBondContact N-OE1 3.07Å; G216-E218 PolarHBondContact N-OE2 2.81Å; G216-E218 PolarHBondContact O-N 2.77Å; E218-G222 WeakPolarHBondContact O-CA 3.39Å; E218-G222 PolarHBondContact O-N 2.9Å; E218-V223 HydrophobicContact CB-CG2 4.46Å; E218-V223 WeakPolarHBondContact CB-O 3.46Å; E218-V223 PolarHBondContact O-N 3.01Å; E218-R225 HydrophobicContact CB-CB 3.94Å; E218-R225 HydrophobicContact CG-CB 4.08Å
219	R	95.3	Very high	96.7	Very high	197 Å²	197	70.7 Å²	70.7	74%	0.743	36%	0.36	S	S	*	.	H	α-helix	trans	-73.2	-44.2	177.9	-68.7	-173.3	-86	-165.7	-3.9	111.4	G216 I217 L221 G222	G216-R219 WeakPolarHBondContact O-CB 3.39Å; G216-R219 PolarHBondContact O-N 3.21Å; G216-R219 VanDerWaalsContact O-N 3.1Å; I217-R219 VanDerWaalsContact C-N 3.26Å; I217-R219 PolarHBondContact O-N 3.06Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 2.69Å; R219-G222 PolarHBondContact O-N 3.12Å
220	S	95.2	Very high	96.7	Very high	107 Å²	107	74.1 Å²	74.1	75%	0.748	38%	0.378	S	S	*	.	H	α-helix	trans	-61.7	-39.7	-180	-59.9	0	0	0	0	112.6	G216 I217	G216-S220 PolarHBondContact O-N 3.41Å; I217-S220 PolarHBondContact O-N 3.39Å
221	L	95.6	Very high	96.7	Very high	51 Å²	51	76.7 Å²	76.7	27%	0.267	39%	0.391	S	S	.	.	H	α-helix	trans	-93.1	-4.9	178.8	-71.6	171	0	0	0	113.2	F188 Q193 V197 K200 I217 R219 V223	F188-L221 HydrophobicContact CE1-CD1 3.67Å; F188-L221 HydrophobicContact CZ-CD1 3.77Å; Q193-L221 HydrophobicContact CB-CD1 4.01Å; Q193-L221 HydrophobicContact CG-CD1 3.62Å; V197-L221 HydrophobicContact CG2-CD2 4.21Å; K200-L221 PolarHBondContact NZ-O 2.83Å; I217-L221 HydrophobicContact CG1-CD1 4.39Å; I217-L221 PolarHBondContact O-N 3.07Å; I217-L221 VanDerWaalsContact O-N 3.13Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 2.69Å; L221-V223 HydrophobicContact CB-CG2 4.29Å
222	G	96.9	Very high	96.8	Very high	55 Å²	55	73.3 Å²	73.3	57%	0.567	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	45.3	-179.9	0	0	0	0	0	113.2	K200 E218 R219	K200-G222 PolarHBondContact NZ-O 3.44Å; E218-G222 WeakPolarHBondContact O-CA 3.39Å; E218-G222 PolarHBondContact O-N 2.9Å; R219-G222 PolarHBondContact O-N 3.12Å
223	V	98	Very high	96.9	Very high	16 Å²	16	66.2 Å²	66.2	10%	0.097	34%	0.341	C	S	.	.			trans	-121.8	160.9	177.4	-65.9	0	0	0	0	109.6	F188 A196 K200 V206 F208 E218 L221	F188-V223 HydrophobicContact CE1-CG2 4.03Å; F188-V223 HydrophobicContact CE2-CG2 4.41Å; F188-V223 HydrophobicContact CZ-CG2 3.63Å; A196-V223 HydrophobicContact CB-CG1 4.43Å; K200-V223 VanDerWaalsContact CE-CG1 3.42Å; V206-V223 HydrophobicContact CB-CG1 3.95Å; V206-V223 HydrophobicContact CG1-CG1 4.04Å; F208-V223 HydrophobicContact CD1-CG2 3.76Å; F208-V223 HydrophobicContact CE1-CG2 3.7Å; E218-V223 HydrophobicContact CB-CG2 4.46Å; E218-V223 WeakPolarHBondContact CB-O 3.46Å; E218-V223 PolarHBondContact O-N 3.01Å; L221-V223 HydrophobicContact CB-CG2 4.29Å
224	Q	98.2	Very high	97	Very high	98 Å²	98	72 Å²	72	46%	0.458	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.4	179	-179.3	-178	-12.4	0	0	110.6	V206 I207 F208	V206-Q224 PolarHBondContact O-N 2.9Å; I207-Q224 CarbonylContact C-O 3.52Å; I207-Q224 WeakPolarHBondContact CA-O 3.38Å; I207-Q224 HydrophobicContact CG2-CB 4Å; I207-Q224 HydrophobicContact CG2-CG 4.41Å; F208-Q224 WeakPolarHBondContact CD1-O 3.32Å; F208-Q224 PolarHBondContact N-O 2.73Å
225	R	98.6	Very high	97.2	Very high	26 Å²	26	66.2 Å²	66.2	10%	0.098	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.3	171.3	-170.4	173.4	-172.9	-173.8	-3.7	110.2	F208 D210 L213 D215 E218 Y227	F208-R225 HydrophobicContact CD1-CB 4.33Å; F208-R225 HydrophobicContact CD2-CG 4.27Å; F208-R225 HydrophobicContact CE1-CB 3.66Å; F208-R225 HydrophobicContact CE1-CG 4.03Å; F208-R225 HydrophobicContact CE2-CB 4.22Å; F208-R225 HydrophobicContact CE2-CG 3.63Å; F208-R225 HydrophobicContact CZ-CB 3.61Å; F208-R225 HydrophobicContact CZ-CG 3.51Å; D210-R225 PolarHBondContact O-NH2 3.35Å; L213-R225 PolarHBondContact O-NH2 2.71Å; D215-R225 IonicContact OD1-CZ 2.77Å; D215-R225 IonicContact OD1-NH1 3.64Å; D215-R225 PolarHBondContact OD1-NH1 2.87Å; E218-R225 HydrophobicContact CB-CB 3.94Å; E218-R225 HydrophobicContact CG-CB 4.08Å; R225-Y227 HydrophobicContact CG-CE1 4.43Å
226	V	98.5	Very high	97.4	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	31%	0.306	C	S	.	.			trans	-118.3	150.2	166.2	-61.6	0	0	0	0	109.4	F208 D231 L232	F208-V226 WeakPolarHBondContact O-CG2 3.27Å; F208-V226 PolarHBondContact O-N 2.96Å; V226-D231 HydrophobicContact CB-CB 3.99Å; V226-D231 HydrophobicContact CG1-CB 4.36Å; V226-D231 HydrophobicContact CG2-CB 4.39Å; V226-L232 HydrophobicContact CG2-CB 3.65Å; V226-L232 HydrophobicContact CG2-CD1 4.27Å; V226-L232 HydrophobicContact CG2-CG 4.37Å
227	Y	98	Very high	97.6	Very high	146 Å²	146	61.6 Å²	61.6	57%	0.573	31%	0.305	S	S	*	.	S	Bend	trans	-104.3	-4.8	-167.5	-65.7	-81.1	0	0	0	114	Y209 R225	Y209-Y227 WeakPolarHBondContact CE2-O 3.45Å; R225-Y227 HydrophobicContact CG-CE1 4.43Å
228	T	98.5	Very high	97.8	Very high	59 Å²	59	59.8 Å²	59.8	36%	0.362	30%	0.296	S	S	.	.	S	Bend	trans	-127.6	149.8	172.2	76.8	0	0	0	0	110.4	Q230 D231 L232	T228-Q230 VanDerWaalsContact C-N 3.26Å; T228-Q230 PolarHBondContact O-N 2.83Å; T228-D231 PolarHBondContact O-N 2.89Å; T228-D231 WeakPolarHBondContact OG1-CB 3.32Å; T228-D231 PolarHBondContact OG1-N 2.95Å; T228-D231 VanDerWaalsContact OG1-N 3.07Å; T228-D231 PolarHBondContact OG1-OD2 2.91Å; T228-L232 PolarHBondContact O-N 2.96Å
229	L	98.6	Very high	98	Very high	25 Å²	25	58.7 Å²	58.7	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-41.3	173	178.3	63.2	0	0	0	110.9	I186 Y209 D231 L232 L233 L252 T257	I186-L229 HydrophobicContact CD1-CD1 3.49Å; I186-L229 VanDerWaalsContact CD1-CD1 3.49Å; I186-L229 HydrophobicContact CG1-CD1 4Å; Y209-L229 HydrophobicContact CD1-CB 4.25Å; Y209-L229 HydrophobicContact CD1-CD1 4.15Å; Y209-L229 HydrophobicContact CE1-CB 4Å; Y209-L229 HydrophobicContact CE1-CD1 4.44Å; L229-D231 PolarHBondContact O-N 3.39Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.39Å; L229-L232 VanDerWaalsContact O-N 3.15Å; L229-L233 HydrophobicContact CD1-CD1 4.14Å; L229-L233 HydrophobicContact CD1-CD2 4.32Å; L229-L233 HydrophobicContact CD1-CG 4.08Å; L229-L233 HydrophobicContact CD2-CD1 4.32Å; L229-L233 HydrophobicContact CG-CD1 3.81Å; L229-L233 HydrophobicContact CG-CG 4.17Å; L229-L233 WeakPolarHBondContact O-CG 3.39Å; L229-L233 PolarHBondContact O-N 2.91Å; L229-L252 HydrophobicContact CD2-CD1 3.7Å; L229-L252 HydrophobicContact CD2-CG 4.06Å; L229-T257 HydrophobicContact CD2-CG2 3.89Å
230	Q	98.5	Very high	98.2	Very high	118 Å²	118	49.3 Å²	49.3	55%	0.551	26%	0.256	S	S	*	.	H	α-helix	trans	-57.2	-45.9	179.2	-179.2	-179.4	-11	0	0	112.1	T228 L232 L233 Y234	T228-Q230 VanDerWaalsContact C-N 3.26Å; T228-Q230 PolarHBondContact O-N 2.83Å; Q230-L232 VanDerWaalsContact C-N 3.26Å; Q230-L232 PolarHBondContact O-N 2.88Å; Q230-L233 PolarHBondContact O-N 2.95Å; Q230-Y234 WeakPolarHBondContact O-CB 3.36Å; Q230-Y234 PolarHBondContact O-N 3.5Å
231	D	98.5	Very high	98.4	Very high	71 Å²	71	44.2 Å²	44.2	38%	0.38	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-37.3	179.1	-67.7	-37.9	0	0	0	111.9	V226 T228 L229 Q235	V226-D231 HydrophobicContact CB-CB 3.99Å; V226-D231 HydrophobicContact CG1-CB 4.36Å; V226-D231 HydrophobicContact CG2-CB 4.39Å; T228-D231 PolarHBondContact O-N 2.89Å; T228-D231 WeakPolarHBondContact OG1-CB 3.32Å; T228-D231 PolarHBondContact OG1-N 2.95Å; T228-D231 VanDerWaalsContact OG1-N 3.07Å; T228-D231 PolarHBondContact OG1-OD2 2.91Å; L229-D231 PolarHBondContact O-N 3.39Å; D231-Q235 WeakPolarHBondContact O-CB 3.44Å; D231-Q235 WeakPolarHBondContact O-CG 3.31Å; D231-Q235 PolarHBondContact O-N 3.39Å; D231-Q235 PolarHBondContact O-NE2 3.37Å
232	L	98.8	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-52.6	175.8	-173.1	142.9	0	0	0	110.7	L185 I186 I207 Y209 V226 T228 L229 Q230 Y234 Q235 S236 V239	L185-L232 VanDerWaalsContact O-CD1 3.29Å; L185-L232 WeakPolarHBondContact O-CD1 3.23Å; I186-L232 HydrophobicContact CD1-CD2 4.02Å; I186-L232 HydrophobicContact CG1-CD1 4.07Å; I186-L232 HydrophobicContact CG1-CD2 3.72Å; I207-L232 HydrophobicContact CD1-CG 4.33Å; I207-L232 HydrophobicContact CG1-CG 4.41Å; Y209-L232 VanDerWaalsContact N-CD1 3.29Å; V226-L232 HydrophobicContact CG2-CB 3.65Å; V226-L232 HydrophobicContact CG2-CD1 4.27Å; V226-L232 HydrophobicContact CG2-CG 4.37Å; T228-L232 PolarHBondContact O-N 2.96Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.39Å; L229-L232 VanDerWaalsContact O-N 3.15Å; Q230-L232 VanDerWaalsContact C-N 3.26Å; Q230-L232 PolarHBondContact O-N 2.88Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.49Å; L232-Q235 PolarHBondContact O-N 3.1Å; L232-S236 WeakPolarHBondContact O-CB 3.31Å; L232-S236 PolarHBondContact O-N 2.85Å; L232-S236 VanDerWaalsContact O-N 3.07Å; L232-S236 PolarHBondContact O-OG 3.21Å; L232-V239 HydrophobicContact CD2-CG1 4.22Å; L232-V239 HydrophobicContact CD2-CG2 4.23Å
233	L	98.8	Very high	98.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-37.4	-176	-62.7	176.7	0	0	0	111.6	I186 L229 Q230 V239 I253 T257 Q260 M261 R262	I186-L233 HydrophobicContact CD1-CD2 4.17Å; L229-L233 HydrophobicContact CD1-CD1 4.14Å; L229-L233 HydrophobicContact CD1-CD2 4.32Å; L229-L233 HydrophobicContact CD1-CG 4.08Å; L229-L233 HydrophobicContact CD2-CD1 4.32Å; L229-L233 HydrophobicContact CG-CD1 3.81Å; L229-L233 HydrophobicContact CG-CG 4.17Å; L229-L233 WeakPolarHBondContact O-CG 3.39Å; L229-L233 PolarHBondContact O-N 2.91Å; Q230-L233 PolarHBondContact O-N 2.95Å; L233-V239 HydrophobicContact CD2-CG1 4.12Å; L233-V239 HydrophobicContact CD2-CG2 3.97Å; L233-I253 HydrophobicContact CD2-CD1 4.24Å; L233-T257 HydrophobicContact CD1-CG2 4.44Å; L233-T257 WeakPolarHBondContact CD1-O 3.45Å; L233-Q260 CarbonylContact C-O 3.53Å; L233-Q260 HydrophobicContact CB-CB 4.25Å; L233-Q260 HydrophobicContact CD1-CB 4.21Å; L233-M261 HydrophobicContact CB-CG 4.25Å; L233-M261 HydrophobicContact CD2-CG 3.96Å; L233-M261 HydrophobicContact CG-CG 4.48Å; L233-R262 PolarHBondContact O-N 3.33Å
234	Y	98.3	Very high	98.6	Very high	169 Å²	169	43.3 Å²	43.3	66%	0.663	20%	0.203	S	C	*	.	H	α-helix	trans	-69.5	-31.9	178.2	-175.3	-101.8	0	0	0	113.5	Q230 L232 R262	Q230-Y234 WeakPolarHBondContact O-CB 3.36Å; Q230-Y234 PolarHBondContact O-N 3.5Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.49Å; Y234-R262 VanDerWaalsContact O-CG 3.25Å; Y234-R262 WeakPolarHBondContact O-CG 3.23Å; Y234-R262 PolarHBondContact O-NE 3.02Å
235	Q	98.5	Very high	98.6	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-91.3	-17.2	-176.7	-72.8	174.8	82.4	0	0	114	T182 I207 D231 L232 R262	T182-Q235 VanDerWaalsContact CB-O 3.25Å; T182-Q235 WeakPolarHBondContact CB-O 3.44Å; T182-Q235 WeakPolarHBondContact CG2-O 3.33Å; I207-Q235 HydrophobicContact CD1-CB 3.57Å; D231-Q235 WeakPolarHBondContact O-CB 3.44Å; D231-Q235 WeakPolarHBondContact O-CG 3.31Å; D231-Q235 PolarHBondContact O-N 3.39Å; D231-Q235 PolarHBondContact O-NE2 3.37Å; L232-Q235 PolarHBondContact O-N 3.1Å; Q235-R262 PolarHBondContact O-NE 3.45Å; Q235-R262 PolarHBondContact O-NH2 2.83Å; Q235-R262 VanDerWaalsContact O-NH2 3.14Å
236	S	98.8	Very high	98.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.			trans	-93.6	132.6	-168.7	-56.3	0	0	0	0	113.2	G184 L232 R262	G184-S236 WeakPolarHBondContact CA-OG 3.18Å; G184-S236 PolarHBondContact N-OG 3.29Å; L232-S236 WeakPolarHBondContact O-CB 3.31Å; L232-S236 PolarHBondContact O-N 2.85Å; L232-S236 VanDerWaalsContact O-N 3.07Å; L232-S236 PolarHBondContact O-OG 3.21Å; S236-R262 WeakPolarHBondContact O-CD 3.45Å
237	D	98.8	Very high	98.4	Very high	31 Å²	31	48.6 Å²	48.6	17%	0.166	23%	0.23	C	C	.	.	S	Bend	trans	-86.2	-27.5	169.8	-54.8	-58.1	0	0	0	111	E181 T182 R262 A265 F266	E181-D237 HydrophobicContact CB-CB 4.38Å; E181-D237 VanDerWaalsContact OE2-CB 3.29Å; E181-D237 WeakPolarHBondContact OE2-CB 3.27Å; T182-D237 PolarHBondContact N-OD2 2.89Å; T182-D237 PolarHBondContact O-N 3.15Å; D237-R262 WeakPolarHBondContact OD1-CD 3.37Å; D237-R262 IonicContact OD1-CZ 3.55Å; D237-R262 IonicContact OD1-NE 2.64Å; D237-R262 IonicContact OD1-NH1 3.33Å; D237-R262 PolarHBondContact OD1-NH1 3.08Å; D237-R262 IonicContact OD2-NH1 2.71Å; D237-R262 PolarHBondContact OD2-NH1 2.8Å; D237-A265 CarbonylContact O-C 3.54Å; D237-A265 WeakPolarHBondContact O-CA 3.37Å; D237-A265 WeakPolarHBondContact O-CB 3.45Å; D237-F266 PolarHBondContact O-N 3.28Å
238	C	98.9	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.1	170.5	-176.4	0	0	0	0	109.3	Y146 T182 L183 G184 F266	Y146-C238 HydrophobicContact CE2-CB 3.89Å; T182-C238 PolarHBondContact O-N 2.77Å; T182-C238 VanDerWaalsContact O-N 3.15Å; L183-C238 WeakPolarHBondContact CA-O 3.22Å; L183-C238 HydrophobicContact CD1-CB 3.91Å; G184-C238 PolarHBondContact N-O 2.92Å; C238-F266 WeakPolarHBondContact CA-O 3.19Å; C238-F266 HydrophobicContact CB-CB 4.13Å
239	V	98.9	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.7	175.3	177.5	0	0	0	0	108.9	G184 I186 L232 L233 L241 M261 F266 L267 V268	G184-V239 CarbonylContact O-C 3.55Å; G184-V239 WeakPolarHBondContact O-CA 3.4Å; I186-V239 HydrophobicContact CD1-CG1 3.62Å; I186-V239 HydrophobicContact CG1-CG1 4.31Å; L232-V239 HydrophobicContact CD2-CG1 4.22Å; L232-V239 HydrophobicContact CD2-CG2 4.23Å; L233-V239 HydrophobicContact CD2-CG1 4.12Å; L233-V239 HydrophobicContact CD2-CG2 3.97Å; V239-L241 HydrophobicContact CG1-CD2 4.46Å; V239-M261 HydrophobicContact CB-CE 4.11Å; V239-M261 HydrophobicContact CG2-CE 3.88Å; V239-F266 PolarHBondContact N-O 2.93Å; V239-L267 HydrophobicContact CB-CD1 4.11Å; V239-L267 HydrophobicContact CG1-CD1 4.06Å; V239-L267 CarbonylContact O-C 3.59Å; V239-L267 WeakPolarHBondContact O-CA 3.47Å; V239-V268 PolarHBondContact O-N 2.98Å
240	S	99	Very high	98.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.9	176.9	-170.3	0	0	0	0	111.3	T138 G184 I186 H242 V268	T138-S240 WeakPolarHBondContact CG2-OG 3.09Å; G184-S240 PolarHBondContact O-N 3.46Å; I186-S240 PolarHBondContact N-O 3.13Å; S240-H242 WeakPolarHBondContact CB-NE2 3.46Å; S240-H242 PolarHBondContact OG-CE1 3.41Å; S240-H242 PolarHBondContact OG-NE2 2.97Å; S240-V268 WeakPolarHBondContact CA-O 3.49Å
241	L	99	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.9	-178.2	-55	-176.9	0	0	0	111.4	I186 V239 I253 V268 N269 A271 L275 V276	I186-L241 HydrophobicContact CB-CD2 3.9Å; I186-L241 HydrophobicContact CD1-CD2 3.59Å; I186-L241 HydrophobicContact CG1-CD2 4.26Å; I186-L241 HydrophobicContact CG2-CD2 4.36Å; V239-L241 HydrophobicContact CG1-CD2 4.46Å; L241-I253 HydrophobicContact CD1-CG1 4.05Å; L241-I253 HydrophobicContact CD2-CD1 4.34Å; L241-I253 HydrophobicContact CD2-CG1 4.03Å; L241-V268 PolarHBondContact N-O 3.35Å; L241-N269 HydrophobicContact CD1-CB 4.13Å; L241-A271 HydrophobicContact CB-CB 4.3Å; L241-A271 WeakPolarHBondContact O-CB 3.46Å; L241-L275 HydrophobicContact CB-CD1 4.4Å; L241-L275 HydrophobicContact CD1-CB 3.94Å; L241-L275 HydrophobicContact CD1-CD1 4.39Å; L241-V276 HydrophobicContact CD1-CG2 3.46Å; L241-V276 VanDerWaalsContact CD1-CG2 3.46Å
242	H	98.9	Very high	98.3	Very high	14 Å²	14	45 Å²	45	7%	0.065	21%	0.212	C	C	.	.			trans	-140.2	7.7	-178.9	-63.1	-65.7	0	0	0	113.5	I186 S240	I186-H242 CarbonylContact O-C 3.38Å; I186-H242 WeakPolarHBondContact O-CA 3.39Å; I186-H242 PolarHBondContact O-N 2.96Å; S240-H242 WeakPolarHBondContact CB-NE2 3.46Å; S240-H242 PolarHBondContact OG-CE1 3.41Å; S240-H242 PolarHBondContact OG-NE2 2.97Å
243	C	98.6	Very high	98.3	Very high	19 Å²	19	45 Å²	45	13%	0.128	21%	0.212	C	C	.	.	S	Bend	trans	-81.1	153	173.1	57.4	0	0	0	0	111.2	I186 A271	I186-C243 PolarHBondContact O-N 2.96Å; I186-C243 VanDerWaalsContact O-N 3.07Å; C243-A271 WeakPolarHBondContact O-CB 3.38Å
244	N	98.2	Very high	98.3	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-72	147.7	168.5	59.9	-48.9	0	0	0	110.3	N249	N244-N249 PolarHBondContact O-ND2 2.97Å
245	L	98.5	Very high	98.3	Very high	33 Å²	33	43 Å²	43	17%	0.173	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70.2	132.8	168	-176.8	63.8	0	0	0	109.5	D109 H250 R272 L275	D109-L245 HydrophobicContact CB-CB 3.97Å; D109-L245 HydrophobicContact CB-CD2 4.31Å; D109-L245 HydrophobicContact CB-CG 4.37Å; L245-H250 HydrophobicContact CD1-CB 4.4Å; L245-R272 HydrophobicContact CB-CB 3.84Å; L245-R272 HydrophobicContact CB-CG 3.87Å; L245-R272 HydrophobicContact CD2-CB 4.44Å; L245-L275 HydrophobicContact CB-CD2 4.47Å; L245-L275 HydrophobicContact CD1-CD2 3.9Å; L245-L275 HydrophobicContact CD1-CG 4.31Å
246	N	96.5	Very high	98.3	Very high	39 Å²	39	46.9 Å²	46.9	21%	0.209	23%	0.229	C	C	.	.			trans	-148.9	178.8	178.2	64.6	57.8	0	0	0	110.7	H248 N249	N246-H248 PolarHBondContact O-N 2.79Å; N246-H248 VanDerWaalsContact O-N 3.08Å; N246-H248 PolarHBondContact OD1-N 3.37Å; N246-N249 PolarHBondContact N-OD1 3.24Å; N246-N249 PolarHBondContact ND2-ND2 3.1Å; N246-N249 VanDerWaalsContact ND2-ND2 3.16Å; N246-N249 PolarHBondContact O-N 2.66Å; N246-N249 PolarHBondContact O-OD1 3.1Å; N246-N249 VanDerWaalsContact O-OD1 3.12Å; N246-N249 PolarHBondContact OD1-N 3.11Å; N246-N249 PolarHBondContact OD1-OD1 2.84Å
247	E	95	Very high	98.3	Very high	170 Å²	170	47.5 Å²	47.5	79%	0.794	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.3	-175.6	61.2	179.1	175.3	0	0	115.1
248	H	97.3	Very high	98.3	Very high	135 Å²	135	46.1 Å²	46.1	63%	0.625	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-6.4	-174.2	-58.3	-49.1	0	0	0	114.6	N246	N246-H248 PolarHBondContact O-N 2.79Å; N246-H248 VanDerWaalsContact O-N 3.08Å; N246-H248 PolarHBondContact OD1-N 3.37Å
249	N	98.4	Very high	98.3	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.08	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	15.4	-174	70.1	4.1	0	0	0	114.5	N244 N246 H251 L252 L275	N244-N249 PolarHBondContact O-ND2 2.97Å; N246-N249 PolarHBondContact N-OD1 3.24Å; N246-N249 PolarHBondContact ND2-ND2 3.1Å; N246-N249 VanDerWaalsContact ND2-ND2 3.16Å; N246-N249 PolarHBondContact O-N 2.66Å; N246-N249 PolarHBondContact O-OD1 3.1Å; N246-N249 VanDerWaalsContact O-OD1 3.12Å; N246-N249 PolarHBondContact OD1-N 3.11Å; N246-N249 PolarHBondContact OD1-OD1 2.84Å; N249-H251 PolarHBondContact O-N 3.28Å; N249-L252 HydrophobicContact CB-CB 4.33Å; N249-L252 HydrophobicContact CB-CD1 4.26Å; N249-L252 WeakPolarHBondContact O-CB 3.44Å; N249-L252 PolarHBondContact O-N 2.85Å; N249-L275 HydrophobicContact CB-CD2 4.34Å
250	H	98.5	Very high	98.3	Very high	119 Å²	119	53.5 Å²	53.5	55%	0.551	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	127	166.6	-175.6	-84.9	0	0	0	110.1	L245 L252	L245-H250 HydrophobicContact CD1-CB 4.4Å; H250-L252 VanDerWaalsContact C-N 3.28Å; H250-L252 PolarHBondContact O-N 3.31Å
251	H	98.7	Very high	98.2	Very high	44 Å²	44	54 Å²	54	20%	0.204	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.6	-171.2	-65.8	-160.1	0	0	0	112.7	N249 I253 N254 G274 L275 D277 E299	N249-H251 PolarHBondContact O-N 3.28Å; H251-I253 PolarHBondContact O-N 3.19Å; H251-N254 HydrophobicContact CB-CB 4.39Å; H251-N254 WeakPolarHBondContact O-CB 3.38Å; H251-N254 PolarHBondContact O-ND2 2.79Å; H251-G274 PolarHBondContact N-O 2.93Å; H251-L275 CarbonylContact C-O 3.53Å; H251-D277 HydrophobicContact CB-CB 4.33Å; H251-D277 IonicContact ND1-OD2 2.81Å; H251-E299 IonicContact CD2-OE1 3.76Å; H251-E299 IonicContact CE1-OE1 3.96Å; H251-E299 PolarHBondContact CE1-OE1 3.35Å; H251-E299 IonicContact NE2-OE1 2.96Å; H251-E299 PolarHBondContact NE2-OE1 2.78Å; H251-E299 VanDerWaalsContact NE2-OE1 3.1Å
252	L	98.8	Very high	98.2	Very high	32 Å²	32	58.5 Å²	58.5	17%	0.168	28%	0.278	C	S	.	.	S	Bend	trans	-51.2	-43	171.9	-173.1	66.1	0	0	0	111.8	I186 L229 N249 H250 T257 L275	I186-L252 HydrophobicContact CG2-CD2 3.61Å; L229-L252 HydrophobicContact CD2-CD1 3.7Å; L229-L252 HydrophobicContact CD2-CG 4.06Å; N249-L252 HydrophobicContact CB-CB 4.33Å; N249-L252 HydrophobicContact CB-CD1 4.26Å; N249-L252 WeakPolarHBondContact O-CB 3.44Å; N249-L252 PolarHBondContact O-N 2.85Å; H250-L252 VanDerWaalsContact C-N 3.28Å; H250-L252 PolarHBondContact O-N 3.31Å; L252-T257 WeakPolarHBondContact O-CG2 3.2Å; L252-T257 PolarHBondContact O-OG1 2.78Å; L252-L275 PolarHBondContact N-O 3Å
253	I	98.8	Very high	98.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-94.5	104.2	169.6	-54.3	-56	0	0	0	107.9	I186 L233 L241 H251 T257 I258 L267 L275 V276 D277	I186-I253 HydrophobicContact CD1-CD1 4.12Å; L233-I253 HydrophobicContact CD2-CD1 4.24Å; L241-I253 HydrophobicContact CD1-CG1 4.05Å; L241-I253 HydrophobicContact CD2-CD1 4.34Å; L241-I253 HydrophobicContact CD2-CG1 4.03Å; H251-I253 PolarHBondContact O-N 3.19Å; I253-T257 VanDerWaalsContact CA-OG1 3.31Å; I253-T257 WeakPolarHBondContact CA-OG1 3.38Å; I253-I258 HydrophobicContact CG2-CD1 4.03Å; I253-I258 HydrophobicContact CG2-CG1 3.59Å; I253-L267 HydrophobicContact CG2-CD2 4.14Å; I253-L275 PolarHBondContact N-O 2.81Å; I253-V276 HydrophobicContact CB-CB 4.46Å; I253-V276 HydrophobicContact CB-CG1 4.31Å; I253-V276 HydrophobicContact CB-CG2 4.12Å; I253-V276 HydrophobicContact CG1-CG2 4.38Å; I253-V276 HydrophobicContact CG2-CG1 4.27Å; I253-V276 WeakPolarHBondContact O-CA 3.39Å; I253-D277 PolarHBondContact O-N 3.08Å
254	N	98.7	Very high	98.1	Very high	46 Å²	46	64.3 Å²	64.3	25%	0.246	31%	0.307	C	S	.	.	S	Bend	trans	-133.8	-177.9	-177.8	58.6	52.6	0	0	0	110.2	H251 F256 T257 I258 D277	H251-N254 HydrophobicContact CB-CB 4.39Å; H251-N254 WeakPolarHBondContact O-CB 3.38Å; H251-N254 PolarHBondContact O-ND2 2.79Å; N254-F256 PolarHBondContact O-N 3.12Å; N254-F256 VanDerWaalsContact O-N 3.13Å; N254-F256 WeakPolarHBondContact OD1-CA 3.45Å; N254-F256 VanDerWaalsContact OD1-CB 3.32Å; N254-F256 WeakPolarHBondContact OD1-CB 3.48Å; N254-F256 PolarHBondContact OD1-N 3.39Å; N254-T257 PolarHBondContact N-OG1 3.3Å; N254-T257 PolarHBondContact O-N 3.39Å; N254-T257 PolarHBondContact O-OG1 2.87Å; N254-T257 PolarHBondContact OD1-N 2.92Å; N254-T257 PolarHBondContact OD1-OG1 2.91Å; N254-I258 VanDerWaalsContact O-CB 3.28Å; N254-I258 WeakPolarHBondContact O-CB 3.26Å; N254-I258 VanDerWaalsContact O-CG1 3.25Å; N254-I258 WeakPolarHBondContact O-CG1 3.23Å; N254-I258 PolarHBondContact O-N 2.99Å; N254-D277 HydrophobicContact CB-CB 4.3Å
255	D	98.3	Very high	98.2	Very high	80 Å²	80	61 Å²	61	43%	0.428	29%	0.289	S	S	.	.	H	α-helix	trans	-53.1	-35.8	-179.9	179.4	69.8	0	0	0	113.5	K259 A280	D255-K259 VanDerWaalsContact O-CD 3.31Å; D255-K259 WeakPolarHBondContact O-CD 3.43Å; D255-K259 VanDerWaalsContact O-CG 3.3Å; D255-K259 WeakPolarHBondContact O-CG 3.43Å; D255-K259 IonicContact OD1-NZ 3.95Å; D255-K259 PolarHBondContact OD1-NZ 3.4Å; D255-K259 WeakPolarHBondContact OD2-CE 3.41Å; D255-K259 IonicContact OD2-NZ 3.79Å; D255-K259 PolarHBondContact OD2-NZ 2.78Å; D255-A280 HydrophobicContact CB-CB 4.12Å
256	F	98.6	Very high	98.2	Very high	137 Å²	137	59.7 Å²	59.7	60%	0.601	28%	0.283	S	S	*	.	H	α-helix	trans	-74.7	-47.2	179	179.2	-101.3	0	0	0	112.4	N254 K259	N254-F256 PolarHBondContact O-N 3.12Å; N254-F256 VanDerWaalsContact O-N 3.13Å; N254-F256 WeakPolarHBondContact OD1-CA 3.45Å; N254-F256 VanDerWaalsContact OD1-CB 3.32Å; N254-F256 WeakPolarHBondContact OD1-CB 3.48Å; N254-F256 PolarHBondContact OD1-N 3.39Å; F256-K259 PolarHBondContact O-N 3.28Å
257	T	98.6	Very high	98.3	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-74.5	-31.1	-178.3	51	0	0	0	0	112.4	L229 L233 L252 I253 N254 K259 Q260 M261	L229-T257 HydrophobicContact CD2-CG2 3.89Å; L233-T257 HydrophobicContact CD1-CG2 4.44Å; L233-T257 WeakPolarHBondContact CD1-O 3.45Å; L252-T257 WeakPolarHBondContact O-CG2 3.2Å; L252-T257 PolarHBondContact O-OG1 2.78Å; I253-T257 VanDerWaalsContact CA-OG1 3.31Å; I253-T257 WeakPolarHBondContact CA-OG1 3.38Å; N254-T257 PolarHBondContact N-OG1 3.3Å; N254-T257 PolarHBondContact O-N 3.39Å; N254-T257 PolarHBondContact O-OG1 2.87Å; N254-T257 PolarHBondContact OD1-N 2.92Å; N254-T257 PolarHBondContact OD1-OG1 2.91Å; T257-K259 PolarHBondContact O-N 2.8Å; T257-Q260 WeakPolarHBondContact O-CB 3.43Å; T257-Q260 PolarHBondContact O-N 3.08Å; T257-M261 PolarHBondContact O-N 3.16Å
258	I	98.7	Very high	98.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-36.7	171.4	-75.8	175.3	0	0	0	111.6	I253 N254 Q260 M261 A280 A284 I290	I253-I258 HydrophobicContact CG2-CD1 4.03Å; I253-I258 HydrophobicContact CG2-CG1 3.59Å; N254-I258 VanDerWaalsContact O-CB 3.28Å; N254-I258 WeakPolarHBondContact O-CB 3.26Å; N254-I258 VanDerWaalsContact O-CG1 3.25Å; N254-I258 WeakPolarHBondContact O-CG1 3.23Å; N254-I258 PolarHBondContact O-N 2.99Å; I258-Q260 PolarHBondContact O-N 2.8Å; I258-M261 HydrophobicContact CG1-SD 4.37Å; I258-M261 WeakPolarHBondContact O-CB 3.47Å; I258-M261 PolarHBondContact O-N 2.81Å; I258-M261 VanDerWaalsContact O-N 3.16Å; I258-A280 HydrophobicContact CD1-CB 3.82Å; I258-A284 HydrophobicContact CD1-CB 4.35Å; I258-A284 HydrophobicContact CG2-CB 3.62Å; I258-I290 HydrophobicContact CD1-CD1 4.44Å; I258-I290 HydrophobicContact CG1-CD1 4.35Å; I258-I290 HydrophobicContact CG2-CD1 4.27Å
259	K	98.2	Very high	98.6	Very high	118 Å²	118	43.4 Å²	43.4	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.2	176.7	-71.5	165.1	-177	165	0	113.5	D255 F256 T257	D255-K259 VanDerWaalsContact O-CD 3.31Å; D255-K259 WeakPolarHBondContact O-CD 3.43Å; D255-K259 VanDerWaalsContact O-CG 3.3Å; D255-K259 WeakPolarHBondContact O-CG 3.43Å; D255-K259 IonicContact OD1-NZ 3.95Å; D255-K259 PolarHBondContact OD1-NZ 3.4Å; D255-K259 WeakPolarHBondContact OD2-CE 3.41Å; D255-K259 IonicContact OD2-NZ 3.79Å; D255-K259 PolarHBondContact OD2-NZ 2.78Å; F256-K259 PolarHBondContact O-N 3.28Å; T257-K259 PolarHBondContact O-N 2.8Å
260	Q	98.3	Very high	98.6	Very high	38 Å²	38	43.2 Å²	43.2	18%	0.178	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.6	176.1	-56.2	179	-4.7	0	0	112.6	L233 T257 I258	L233-Q260 CarbonylContact C-O 3.53Å; L233-Q260 HydrophobicContact CB-CB 4.25Å; L233-Q260 HydrophobicContact CD1-CB 4.21Å; T257-Q260 WeakPolarHBondContact O-CB 3.43Å; T257-Q260 PolarHBondContact O-N 3.08Å; I258-Q260 PolarHBondContact O-N 2.8Å
261	M	98.7	Very high	98.6	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.054	18%	0.184	C	C	.	.	S	Bend	trans	-68.5	151.8	174.7	-63.2	178.8	69.6	0	0	110.8	L233 V239 T257 I258 A265 L267 I290	L233-M261 HydrophobicContact CB-CG 4.25Å; L233-M261 HydrophobicContact CD2-CG 3.96Å; L233-M261 HydrophobicContact CG-CG 4.48Å; V239-M261 HydrophobicContact CB-CE 4.11Å; V239-M261 HydrophobicContact CG2-CE 3.88Å; T257-M261 PolarHBondContact O-N 3.16Å; I258-M261 HydrophobicContact CG1-SD 4.37Å; I258-M261 WeakPolarHBondContact O-CB 3.47Å; I258-M261 PolarHBondContact O-N 2.81Å; I258-M261 VanDerWaalsContact O-N 3.16Å; M261-A265 HydrophobicContact CE-CB 4.12Å; M261-L267 HydrophobicContact CE-CB 4.4Å; M261-L267 HydrophobicContact CE-CD1 4.45Å; M261-I290 HydrophobicContact CE-CD1 4.29Å; M261-I290 HydrophobicContact CE-CG1 4.42Å; M261-I290 HydrophobicContact SD-CD1 3.99Å; M261-I290 HydrophobicContact SD-CG1 4.4Å
262	R	98.3	Very high	98.6	Very high	93 Å²	93	37.7 Å²	37.7	35%	0.351	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-58.1	143.9	170.6	-68.7	-171.6	172.3	-178.9	0.6	111.3	L233 Y234 Q235 S236 D237 G264 A265	L233-R262 PolarHBondContact O-N 3.33Å; Y234-R262 VanDerWaalsContact O-CG 3.25Å; Y234-R262 WeakPolarHBondContact O-CG 3.23Å; Y234-R262 PolarHBondContact O-NE 3.02Å; Q235-R262 PolarHBondContact O-NE 3.45Å; Q235-R262 PolarHBondContact O-NH2 2.83Å; Q235-R262 VanDerWaalsContact O-NH2 3.14Å; S236-R262 WeakPolarHBondContact O-CD 3.45Å; D237-R262 WeakPolarHBondContact OD1-CD 3.37Å; D237-R262 IonicContact OD1-CZ 3.55Å; D237-R262 IonicContact OD1-NE 2.64Å; D237-R262 IonicContact OD1-NH1 3.33Å; D237-R262 PolarHBondContact OD1-NH1 3.08Å; D237-R262 IonicContact OD2-NH1 2.71Å; D237-R262 PolarHBondContact OD2-NH1 2.8Å; R262-G264 PolarHBondContact O-N 2.81Å; R262-A265 HydrophobicContact CB-CB 4.25Å; R262-A265 VanDerWaalsContact O-CB 3.26Å; R262-A265 WeakPolarHBondContact O-CB 3.45Å; R262-A265 PolarHBondContact O-N 3.13Å; R262-A265 VanDerWaalsContact O-N 3.11Å
263	Q	98.2	Very high	98.6	Very high	141 Å²	141	36.5 Å²	36.5	66%	0.659	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	123.3	172.9	-176.6	65.5	30.3	0	0	110.1	G288	Q263-G288 PolarHBondContact NE2-O 3.13Å
264	G	97.8	Very high	98.5	Very high	15 Å²	15	37.1 Å²	37.1	16%	0.155	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	22.1	-179.5	0	0	0	0	0	114.3	R262 R289 R291	R262-G264 PolarHBondContact O-N 2.81Å; G264-R289 WeakPolarHBondContact CA-O 3.5Å; G264-R289 PolarHBondContact N-O 2.87Å; G264-R291 WeakPolarHBondContact O-CB 3.28Å; G264-R291 PolarHBondContact O-NE 3.44Å; G264-R291 VanDerWaalsContact O-NE 3.11Å
265	A	98.7	Very high	98.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	160.3	170.8	0	0	0	0	0	112.1	D237 M261 R262 I290 R291	D237-A265 CarbonylContact O-C 3.54Å; D237-A265 WeakPolarHBondContact O-CA 3.37Å; D237-A265 WeakPolarHBondContact O-CB 3.45Å; M261-A265 HydrophobicContact CE-CB 4.12Å; R262-A265 HydrophobicContact CB-CB 4.25Å; R262-A265 VanDerWaalsContact O-CB 3.26Å; R262-A265 WeakPolarHBondContact O-CB 3.45Å; R262-A265 PolarHBondContact O-N 3.13Å; R262-A265 VanDerWaalsContact O-N 3.11Å; A265-I290 WeakPolarHBondContact O-CA 3.37Å; A265-I290 WeakPolarHBondContact O-CG2 3.28Å; A265-R291 PolarHBondContact O-N 3.24Å
266	F	98.9	Very high	98.6	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	150.3	170.1	-71.3	-56.8	0	0	0	111.7	L145 Y146 D237 C238 V239 R291 G292	L145-F266 HydrophobicContact CB-CD1 3.81Å; L145-F266 HydrophobicContact CB-CD2 4.31Å; L145-F266 HydrophobicContact CB-CE1 3.84Å; L145-F266 HydrophobicContact CB-CE2 4.34Å; L145-F266 HydrophobicContact CB-CG 4.04Å; L145-F266 HydrophobicContact CB-CZ 4.08Å; L145-F266 HydrophobicContact CD1-CB 3.91Å; L145-F266 HydrophobicContact CD1-CD1 3.99Å; L145-F266 HydrophobicContact CD1-CG 4.09Å; L145-F266 HydrophobicContact CD2-CD1 4.36Å; L145-F266 HydrophobicContact CG-CD1 4.27Å; L145-F266 WeakPolarHBondContact O-CZ 3.35Å; Y146-F266 HydrophobicContact CD1-CE2 4.12Å; Y146-F266 HydrophobicContact CD2-CD2 4.01Å; Y146-F266 HydrophobicContact CD2-CE2 4.07Å; Y146-F266 HydrophobicContact CE1-CD2 4.31Å; Y146-F266 HydrophobicContact CE1-CE2 4.1Å; Y146-F266 AromaticContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CE2 4.07Å; Y146-F266 HydrophobicContact CG-CD2 4.49Å; Y146-F266 HydrophobicContact CG-CE2 4.09Å; Y146-F266 AromaticContact CZ-CD2 3.83Å; D237-F266 PolarHBondContact O-N 3.28Å; C238-F266 WeakPolarHBondContact CA-O 3.19Å; C238-F266 HydrophobicContact CB-CB 4.13Å; V239-F266 PolarHBondContact N-O 2.93Å; F266-R291 HydrophobicContact CD1-CB 4.2Å; F266-R291 HydrophobicContact CD1-CG 4.44Å; F266-R291 HydrophobicContact CE1-CB 3.97Å; F266-R291 HydrophobicContact CE1-CG 3.71Å; F266-R291 HydrophobicContact CZ-CG 4.04Å; F266-G292 WeakPolarHBondContact CA-O 3.34Å; F266-G292 WeakPolarHBondContact CD1-O 3.35Å
267	L	98.9	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.8	173.2	-177.9	65.6	0	0	0	110.8	V239 I253 M261 V276 L281 G292 A293 A294	V239-L267 HydrophobicContact CB-CD1 4.11Å; V239-L267 HydrophobicContact CG1-CD1 4.06Å; V239-L267 CarbonylContact O-C 3.59Å; V239-L267 WeakPolarHBondContact O-CA 3.47Å; I253-L267 HydrophobicContact CG2-CD2 4.14Å; M261-L267 HydrophobicContact CE-CB 4.4Å; M261-L267 HydrophobicContact CE-CD1 4.45Å; L267-V276 HydrophobicContact CD2-CG1 4.35Å; L267-L281 HydrophobicContact CD2-CD1 3.85Å; L267-L281 HydrophobicContact CD2-CD2 4.26Å; L267-G292 PolarHBondContact N-O 2.82Å; L267-A293 HydrophobicContact CB-CB 4.29Å; L267-A293 CarbonylContact O-C 3.48Å; L267-A293 WeakPolarHBondContact O-CA 3.5Å; L267-A294 PolarHBondContact O-N 2.89Å
268	V	99	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.2	174.1	-177.9	0	0	0	0	109.6	T138 H141 I142 L145 V239 S240 L241 A294	T138-V268 HydrophobicContact CG2-CG1 4.11Å; H141-V268 HydrophobicContact CB-CG1 3.97Å; I142-V268 HydrophobicContact CG1-CG2 3.84Å; L145-V268 HydrophobicContact CD1-CG2 3.66Å; V239-V268 PolarHBondContact O-N 2.98Å; S240-V268 WeakPolarHBondContact CA-O 3.49Å; L241-V268 PolarHBondContact N-O 3.35Å; V268-A294 CarbonylContact C-O 3.53Å; V268-A294 VanDerWaalsContact CA-O 3.3Å; V268-A294 WeakPolarHBondContact CA-O 3.45Å; V268-A294 HydrophobicContact CG2-CB 4.37Å
269	N	98.9	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	106.9	173.3	-172	8.3	0	0	0	110.4	L241 A271 R272 V276 A294 L295 D296 V297	L241-N269 HydrophobicContact CD1-CB 4.13Å; N269-A271 PolarHBondContact OD1-N 3.47Å; N269-R272 PolarHBondContact ND2-O 3.1Å; N269-V276 HydrophobicContact CB-CG2 4.41Å; N269-A294 PolarHBondContact N-O 3.31Å; N269-L295 HydrophobicContact CB-CD2 3.69Å; N269-D296 PolarHBondContact O-N 2.97Å; N269-V297 HydrophobicContact CB-CG2 4.47Å
270	A	98.8	Very high	98.6	Very high	11 Å²	11	28.4 Å²	28.4	9%	0.091	14%	0.142	C	C	.	.			trans	-121.4	28.1	169.8	0	0	0	0	0	110.9	D296 A323	A270-D296 HydrophobicContact CB-CB 4.22Å; A270-A323 HydrophobicContact CB-CB 4.38Å
271	A	98.7	Very high	98.6	Very high	12 Å²	12	26.6 Å²	26.6	10%	0.099	13%	0.133	C	C	.	.	S	Bend	trans	-106.3	-85	-179.2	0	0	0	0	0	111.1	L241 C243 N269 L275	L241-A271 HydrophobicContact CB-CB 4.3Å; L241-A271 WeakPolarHBondContact O-CB 3.46Å; C243-A271 WeakPolarHBondContact O-CB 3.38Å; N269-A271 PolarHBondContact OD1-N 3.47Å; A271-L275 HydrophobicContact CB-CD1 3.69Å
272	R	98.7	Very high	98.6	Very high	35 Å²	35	26.3 Å²	26.3	13%	0.132	13%	0.133	C	C	.	.			trans	-143.2	144.6	176.1	-70.7	-64.5	178.8	-108	18.2	111.1	D109 L245 N269 L275 V297	D109-R272 IonicContact OD1-CZ 3.89Å; D109-R272 IonicContact OD1-NE 2.84Å; D109-R272 PolarHBondContact OD1-NE 3.28Å; D109-R272 IonicContact OD1-NH2 2.81Å; D109-R272 WeakPolarHBondContact OD2-CD 3.29Å; D109-R272 IonicContact OD2-NE 3.38Å; D109-R272 PolarHBondContact OD2-NE 3.01Å; L245-R272 HydrophobicContact CB-CB 3.84Å; L245-R272 HydrophobicContact CB-CG 3.87Å; L245-R272 HydrophobicContact CD2-CB 4.44Å; N269-R272 PolarHBondContact ND2-O 3.1Å; R272-L275 HydrophobicContact CB-CD1 4.21Å; R272-L275 HydrophobicContact CB-CG 4.25Å; R272-L275 WeakPolarHBondContact O-CB 3.23Å; R272-L275 PolarHBondContact O-N 3.37Å; R272-V297 VanDerWaalsContact C-CG2 3.43Å
273	G	98.3	Very high	98.6	Very high	7 Å²	7	26.3 Å²	26.3	7%	0.072	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-58.9	-48.8	-178.5	0	0	0	0	0	113.6	L275 V276 H298	G273-L275 PolarHBondContact O-N 2.78Å; G273-V276 PolarHBondContact O-N 3.06Å; G273-V276 VanDerWaalsContact O-N 3.1Å; G273-H298 VanDerWaalsContact CA-C 3.41Å; G273-H298 WeakPolarHBondContact CA-O 3.22Å
274	G	98.3	Very high	98.7	Very high	13 Å²	13	19.6 Å²	19.6	13%	0.134	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-64.8	2.7	-178.6	0	0	0	0	0	116.3	H251 V276	H251-G274 PolarHBondContact N-O 2.93Å; G274-V276 VanDerWaalsContact C-N 3.33Å
275	L	98.8	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-78.5	-19	170.3	-66.6	171	0	0	0	112.6	L241 L245 N249 H251 L252 I253 A271 R272 G273	L241-L275 HydrophobicContact CB-CD1 4.4Å; L241-L275 HydrophobicContact CD1-CB 3.94Å; L241-L275 HydrophobicContact CD1-CD1 4.39Å; L245-L275 HydrophobicContact CB-CD2 4.47Å; L245-L275 HydrophobicContact CD1-CD2 3.9Å; L245-L275 HydrophobicContact CD1-CG 4.31Å; N249-L275 HydrophobicContact CB-CD2 4.34Å; H251-L275 CarbonylContact C-O 3.53Å; L252-L275 PolarHBondContact N-O 3Å; I253-L275 PolarHBondContact N-O 2.81Å; A271-L275 HydrophobicContact CB-CD1 3.69Å; R272-L275 HydrophobicContact CB-CD1 4.21Å; R272-L275 HydrophobicContact CB-CG 4.25Å; R272-L275 WeakPolarHBondContact O-CB 3.23Å; R272-L275 PolarHBondContact O-N 3.37Å; G273-L275 PolarHBondContact O-N 2.78Å
276	V	98.9	Very high	98.7	Very high	3 Å²	3	24 Å²	24	2%	0.018	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-123.5	126	-174.5	-176.7	0	0	0	0	109.6	L241 I253 L267 N269 G273 G274 E278 L281 E299	L241-V276 HydrophobicContact CD1-CG2 3.46Å; L241-V276 VanDerWaalsContact CD1-CG2 3.46Å; I253-V276 HydrophobicContact CB-CB 4.46Å; I253-V276 HydrophobicContact CB-CG1 4.31Å; I253-V276 HydrophobicContact CB-CG2 4.12Å; I253-V276 HydrophobicContact CG1-CG2 4.38Å; I253-V276 HydrophobicContact CG2-CG1 4.27Å; I253-V276 WeakPolarHBondContact O-CA 3.39Å; L267-V276 HydrophobicContact CD2-CG1 4.35Å; N269-V276 HydrophobicContact CB-CG2 4.41Å; G273-V276 PolarHBondContact O-N 3.06Å; G273-V276 VanDerWaalsContact O-N 3.1Å; G274-V276 VanDerWaalsContact C-N 3.33Å; V276-E278 PolarHBondContact O-N 2.99Å; V276-L281 HydrophobicContact CG1-CB 4.08Å; V276-L281 HydrophobicContact CG1-CD2 4.01Å; V276-E299 VanDerWaalsContact O-OE1 3.04Å
277	D	98.7	Very high	98.6	Very high	38 Å²	38	28.3 Å²	28.3	20%	0.203	14%	0.14	C	C	.	.			trans	-69.9	105	166.5	-175.4	-37.6	0	0	0	109.3	H251 I253 N254 K279 A280 L281 E299	H251-D277 HydrophobicContact CB-CB 4.33Å; H251-D277 IonicContact ND1-OD2 2.81Å; I253-D277 PolarHBondContact O-N 3.08Å; N254-D277 HydrophobicContact CB-CB 4.3Å; D277-K279 PolarHBondContact O-N 2.94Å; D277-K279 WeakPolarHBondContact OD1-CB 3.15Å; D277-K279 PolarHBondContact OD1-N 3.39Å; D277-A280 HydrophobicContact CB-CB 3.91Å; D277-A280 PolarHBondContact O-N 3.32Å; D277-A280 PolarHBondContact OD1-N 3.31Å; D277-L281 PolarHBondContact O-N 2.95Å; D277-E299 WeakPolarHBondContact CA-OE1 3.45Å
278	E	98.7	Very high	98.6	Very high	12 Å²	12	30 Å²	30	6%	0.056	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-27.8	-175.2	-75.5	-172.4	-174.5	0	0	113.2	V276 A282 H298 E299 P309 L310	V276-E278 PolarHBondContact O-N 2.99Å; E278-A282 VanDerWaalsContact O-CB 3.29Å; E278-A282 WeakPolarHBondContact O-CB 3.47Å; E278-A282 PolarHBondContact O-N 3.3Å; E278-H298 VanDerWaalsContact OE1-CA 3.31Å; E278-H298 WeakPolarHBondContact OE1-CA 3.44Å; E278-H298 WeakPolarHBondContact OE1-CB 3.45Å; E278-H298 IonicContact OE1-CD2 3.54Å; E278-E299 HydrophobicContact CG-CB 4.37Å; E278-E299 HydrophobicContact CG-CG 3.99Å; E278-E299 PolarHBondContact N-OE1 3.45Å; E278-E299 VanDerWaalsContact N-OE1 3.12Å; E278-E299 PolarHBondContact OE1-N 3.33Å; E278-P309 HydrophobicContact CB-CB 4.07Å; E278-P309 HydrophobicContact CB-CG 4.04Å; E278-L310 HydrophobicContact CB-CD1 4.38Å; E278-L310 HydrophobicContact CB-CG 4.23Å; E278-L310 HydrophobicContact CG-CD1 3.98Å; E278-L310 HydrophobicContact CG-CG 4.38Å
279	K	98.4	Very high	98.5	Very high	150 Å²	150	32.7 Å²	32.7	65%	0.652	17%	0.168	S	C	*	.	H	α-helix	trans	-70.4	-44	176.3	-65.8	174.2	-177.7	170.4	0	110.4	D277 L281 A282 Q283 P309	D277-K279 PolarHBondContact O-N 2.94Å; D277-K279 WeakPolarHBondContact OD1-CB 3.15Å; D277-K279 PolarHBondContact OD1-N 3.39Å; K279-L281 VanDerWaalsContact C-N 3.35Å; K279-A282 PolarHBondContact O-N 2.91Å; K279-Q283 PolarHBondContact O-N 3.1Å; K279-Q283 VanDerWaalsContact O-N 3.11Å; K279-P309 HydrophobicContact CG-CB 3.81Å; K279-P309 HydrophobicContact CG-CG 3.86Å
280	A	98.6	Very high	98.5	Very high	10 Å²	10	32.6 Å²	32.6	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-41.8	176.7	0	0	0	0	0	111.3	D255 I258 D277 Q283 A284	D255-A280 HydrophobicContact CB-CB 4.12Å; I258-A280 HydrophobicContact CD1-CB 3.82Å; D277-A280 HydrophobicContact CB-CB 3.91Å; D277-A280 PolarHBondContact O-N 3.32Å; D277-A280 PolarHBondContact OD1-N 3.31Å; A280-Q283 PolarHBondContact O-N 2.96Å; A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.33Å
281	L	98.8	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-47	174.9	177.8	58.5	0	0	0	112	L267 V276 D277 K279 Q283 A284 L285 I290 A293 L295 L310	L267-L281 HydrophobicContact CD2-CD1 3.85Å; L267-L281 HydrophobicContact CD2-CD2 4.26Å; V276-L281 HydrophobicContact CG1-CB 4.08Å; V276-L281 HydrophobicContact CG1-CD2 4.01Å; D277-L281 PolarHBondContact O-N 2.95Å; K279-L281 VanDerWaalsContact C-N 3.35Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 3.27Å; L281-A284 PolarHBondContact O-N 3.11Å; L281-A284 VanDerWaalsContact O-N 3.15Å; L281-L285 HydrophobicContact CD1-CD1 4.07Å; L281-L285 HydrophobicContact CD1-CG 4.11Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.49Å; L281-L285 WeakPolarHBondContact O-CG 3.02Å; L281-L285 PolarHBondContact O-N 3.01Å; L281-I290 HydrophobicContact CD1-CD1 3.64Å; L281-A293 HydrophobicContact CD1-CB 4.15Å; L281-A293 HydrophobicContact CD2-CB 4.25Å; L281-L295 HydrophobicContact CD2-CD1 3.84Å; L281-L295 HydrophobicContact CD2-CD2 4.15Å; L281-L295 HydrophobicContact CD2-CG 4.48Å; L281-L310 HydrophobicContact CD2-CD2 4.28Å; L281-L310 HydrophobicContact CG-CD2 4.3Å
282	A	98.6	Very high	98.5	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-44.3	178.3	0	0	0	0	0	111.7	E278 K279 L285 K286 P309 L310 A313	E278-A282 VanDerWaalsContact O-CB 3.29Å; E278-A282 WeakPolarHBondContact O-CB 3.47Å; E278-A282 PolarHBondContact O-N 3.3Å; K279-A282 PolarHBondContact O-N 2.91Å; A282-L285 PolarHBondContact O-N 3.37Å; A282-K286 VanDerWaalsContact O-CG 3.32Å; A282-K286 WeakPolarHBondContact O-CG 3.49Å; A282-K286 PolarHBondContact O-N 3.41Å; A282-K286 VanDerWaalsContact O-N 3.1Å; A282-P309 WeakPolarHBondContact CB-O 3.34Å; A282-L310 HydrophobicContact CB-CD2 4.05Å; A282-A313 HydrophobicContact CB-CB 4.43Å
283	Q	98.5	Very high	98.5	Very high	92 Å²	92	35.2 Å²	35.2	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-65.4	-43	177.3	-171.6	61.8	20	0	0	111.6	K279 A280 L281 L285 K286 E287	K279-Q283 PolarHBondContact O-N 3.1Å; K279-Q283 VanDerWaalsContact O-N 3.11Å; A280-Q283 PolarHBondContact O-N 2.96Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 3.27Å; Q283-L285 VanDerWaalsContact C-N 3.32Å; Q283-L285 PolarHBondContact O-N 3.12Å; Q283-K286 PolarHBondContact O-N 3.34Å; Q283-E287 HydrophobicContact CG-CG 4.39Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.5Å; Q283-E287 PolarHBondContact NE2-OE1 3.27Å; Q283-E287 WeakPolarHBondContact O-CB 3.3Å; Q283-E287 WeakPolarHBondContact O-CG 3.41Å; Q283-E287 PolarHBondContact O-N 2.94Å
284	A	98.7	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-34.8	179.5	0	0	0	0	0	113.5	I258 A280 L281 G288 R289 I290	I258-A284 HydrophobicContact CD1-CB 4.35Å; I258-A284 HydrophobicContact CG2-CB 3.62Å; A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.33Å; L281-A284 PolarHBondContact O-N 3.11Å; L281-A284 VanDerWaalsContact O-N 3.15Å; A284-G288 PolarHBondContact O-N 3.17Å; A284-R289 HydrophobicContact CB-CB 4.45Å; A284-R289 PolarHBondContact O-N 3.41Å; A284-I290 HydrophobicContact CB-CB 4.37Å; A284-I290 HydrophobicContact CB-CD1 3.93Å; A284-I290 HydrophobicContact CB-CG1 4.06Å; A284-I290 PolarHBondContact O-N 3.26Å; A284-I290 VanDerWaalsContact O-N 3.16Å
285	L	98.7	Very high	98.6	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-68.7	-44.9	173.3	-72.4	166.7	0	0	0	111.4	L281 A282 Q283 E287 G288 I290 A293 A313 P314 L316	L281-L285 HydrophobicContact CD1-CD1 4.07Å; L281-L285 HydrophobicContact CD1-CG 4.11Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.49Å; L281-L285 WeakPolarHBondContact O-CG 3.02Å; L281-L285 PolarHBondContact O-N 3.01Å; A282-L285 PolarHBondContact O-N 3.37Å; Q283-L285 VanDerWaalsContact C-N 3.32Å; Q283-L285 PolarHBondContact O-N 3.12Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 2.88Å; L285-G288 PolarHBondContact O-N 3.18Å; L285-G288 VanDerWaalsContact O-N 3.14Å; L285-I290 HydrophobicContact CD2-CB 4.17Å; L285-I290 HydrophobicContact CD2-CG2 3.7Å; L285-I290 HydrophobicContact CG-CG2 4.46Å; L285-A293 HydrophobicContact CD1-CB 4.34Å; L285-A293 HydrophobicContact CD2-CB 4.29Å; L285-A313 HydrophobicContact CD1-CB 3.96Å; L285-P314 HydrophobicContact CB-CG 4.31Å; L285-L316 HydrophobicContact CD1-CD1 4.36Å
286	K	98.4	Very high	98.6	Very high	107 Å²	107	34.5 Å²	34.5	47%	0.465	16%	0.164	S	C	.	.	H	α-helix	trans	-62.7	-37.5	177.2	-72.8	173.2	-178.2	179.1	0	112.6	A282 Q283 G288 D312	A282-K286 VanDerWaalsContact O-CG 3.32Å; A282-K286 WeakPolarHBondContact O-CG 3.49Å; A282-K286 PolarHBondContact O-N 3.41Å; A282-K286 VanDerWaalsContact O-N 3.1Å; Q283-K286 PolarHBondContact O-N 3.34Å; K286-G288 VanDerWaalsContact C-N 3.29Å; K286-D312 WeakPolarHBondContact CE-O 3.43Å
287	E	98	Very high	98.6	Very high	95 Å²	95	34.5 Å²	34.5	44%	0.444	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.7	177.3	-68.4	175.8	173.2	0	0	113.4	Q283 L285 R289	Q283-E287 HydrophobicContact CG-CG 4.39Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.5Å; Q283-E287 PolarHBondContact NE2-OE1 3.27Å; Q283-E287 WeakPolarHBondContact O-CB 3.3Å; Q283-E287 WeakPolarHBondContact O-CG 3.41Å; Q283-E287 PolarHBondContact O-N 2.94Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 2.88Å; E287-R289 PolarHBondContact O-N 3.32Å; E287-R289 IonicContact OE2-CZ 2.84Å; E287-R289 IonicContact OE2-NH1 3.21Å; E287-R289 PolarHBondContact OE2-NH1 3.43Å; E287-R289 IonicContact OE2-NH2 2.67Å; E287-R289 PolarHBondContact OE2-NH2 2.84Å
288	G	97.3	Very high	98.6	Very high	36 Å²	36	33 Å²	33	37%	0.371	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	13.8	-177.2	0	0	0	0	0	114.6	Q263 A284 L285 K286	Q263-G288 PolarHBondContact NE2-O 3.13Å; A284-G288 PolarHBondContact O-N 3.17Å; L285-G288 PolarHBondContact O-N 3.18Å; L285-G288 VanDerWaalsContact O-N 3.14Å; K286-G288 VanDerWaalsContact C-N 3.29Å
289	R	98.1	Very high	98.5	Very high	56 Å²	56	36.2 Å²	36.2	21%	0.211	17%	0.171	C	C	.	.	S	Bend	trans	-66.3	-41.3	172.3	-172	-176.9	-62.2	95.1	9.2	110.8	G264 A284 E287	G264-R289 WeakPolarHBondContact CA-O 3.5Å; G264-R289 PolarHBondContact N-O 2.87Å; A284-R289 HydrophobicContact CB-CB 4.45Å; A284-R289 PolarHBondContact O-N 3.41Å; E287-R289 PolarHBondContact O-N 3.32Å; E287-R289 IonicContact OE2-CZ 2.84Å; E287-R289 IonicContact OE2-NH1 3.21Å; E287-R289 PolarHBondContact OE2-NH1 3.43Å; E287-R289 IonicContact OE2-NH2 2.67Å; E287-R289 PolarHBondContact OE2-NH2 2.84Å
290	I	98.7	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126	166.7	-68.5	176.7	0	0	0	107.1	I258 M261 A265 L281 A284 L285 G292	I258-I290 HydrophobicContact CD1-CD1 4.44Å; I258-I290 HydrophobicContact CG1-CD1 4.35Å; I258-I290 HydrophobicContact CG2-CD1 4.27Å; M261-I290 HydrophobicContact CE-CD1 4.29Å; M261-I290 HydrophobicContact CE-CG1 4.42Å; M261-I290 HydrophobicContact SD-CD1 3.99Å; M261-I290 HydrophobicContact SD-CG1 4.4Å; A265-I290 WeakPolarHBondContact O-CA 3.37Å; A265-I290 WeakPolarHBondContact O-CG2 3.28Å; L281-I290 HydrophobicContact CD1-CD1 3.64Å; A284-I290 HydrophobicContact CB-CB 4.37Å; A284-I290 HydrophobicContact CB-CD1 3.93Å; A284-I290 HydrophobicContact CB-CG1 4.06Å; A284-I290 PolarHBondContact O-N 3.26Å; A284-I290 VanDerWaalsContact O-N 3.16Å; L285-I290 HydrophobicContact CD2-CB 4.17Å; L285-I290 HydrophobicContact CD2-CG2 3.7Å; L285-I290 HydrophobicContact CG-CG2 4.46Å; I290-G292 VanDerWaalsContact C-N 3.33Å; I290-G292 VanDerWaalsContact CG2-O 3.28Å; I290-G292 WeakPolarHBondContact CG2-O 3.44Å
291	R	98.5	Very high	98.4	Very high	112 Å²	112	36.2 Å²	36.2	42%	0.423	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-32.7	-178	179	-169.9	-63.7	-111.1	1	111.9	G264 A265 F266 N315	G264-R291 WeakPolarHBondContact O-CB 3.28Å; G264-R291 PolarHBondContact O-NE 3.44Å; G264-R291 VanDerWaalsContact O-NE 3.11Å; A265-R291 PolarHBondContact O-N 3.24Å; F266-R291 HydrophobicContact CD1-CB 4.2Å; F266-R291 HydrophobicContact CD1-CG 4.44Å; F266-R291 HydrophobicContact CE1-CB 3.97Å; F266-R291 HydrophobicContact CE1-CG 3.71Å; F266-R291 HydrophobicContact CZ-CG 4.04Å; R291-N315 WeakPolarHBondContact O-CB 3.45Å; R291-N315 PolarHBondContact O-ND2 3.44Å
292	G	98.8	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	161.2	175	0	0	0	0	0	111.7	F266 L267 I290 N315	F266-G292 WeakPolarHBondContact CA-O 3.34Å; F266-G292 WeakPolarHBondContact CD1-O 3.35Å; L267-G292 PolarHBondContact N-O 2.82Å; I290-G292 VanDerWaalsContact C-N 3.33Å; I290-G292 VanDerWaalsContact CG2-O 3.28Å; I290-G292 WeakPolarHBondContact CG2-O 3.44Å; G292-N315 CarbonylContact C-O 3.6Å; G292-N315 WeakPolarHBondContact CA-O 3.43Å
293	A	98.9	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.8	177.6	0	0	0	0	0	111.6	L267 L281 L285 N315 L316 I317	L267-A293 HydrophobicContact CB-CB 4.29Å; L267-A293 CarbonylContact O-C 3.48Å; L267-A293 WeakPolarHBondContact O-CA 3.5Å; L281-A293 HydrophobicContact CD1-CB 4.15Å; L281-A293 HydrophobicContact CD2-CB 4.25Å; L285-A293 HydrophobicContact CD1-CB 4.34Å; L285-A293 HydrophobicContact CD2-CB 4.29Å; A293-N315 PolarHBondContact N-O 3.25Å; A293-L316 HydrophobicContact CB-CD1 4Å; A293-L316 CarbonylContact O-C 3.6Å; A293-L316 WeakPolarHBondContact O-CA 3.47Å; A293-I317 PolarHBondContact O-N 2.95Å
294	A	98.9	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.2	172.2	0	0	0	0	0	110.1	H141 L145 L267 V268 N269 I317	H141-A294 HydrophobicContact CB-CB 3.75Å; L145-A294 HydrophobicContact CD1-CB 3.96Å; L145-A294 HydrophobicContact CD2-CB 4.16Å; L145-A294 HydrophobicContact CG-CB 4.07Å; L267-A294 PolarHBondContact O-N 2.89Å; V268-A294 CarbonylContact C-O 3.53Å; V268-A294 VanDerWaalsContact CA-O 3.3Å; V268-A294 WeakPolarHBondContact CA-O 3.45Å; V268-A294 HydrophobicContact CG2-CB 4.37Å; N269-A294 PolarHBondContact N-O 3.31Å; A294-I317 CarbonylContact C-O 3.53Å; A294-I317 VanDerWaalsContact CA-O 3.29Å; A294-I317 WeakPolarHBondContact CA-O 3.5Å; A294-I317 HydrophobicContact CB-CB 4.06Å; A294-I317 HydrophobicContact CB-CG2 4.44Å
295	L	98.9	Very high	98	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.2	-173.7	-50.8	179.4	0	0	0	109.8	N269 L281 L310 L316 I317 C318 T319	N269-L295 HydrophobicContact CB-CD2 3.69Å; L281-L295 HydrophobicContact CD2-CD1 3.84Å; L281-L295 HydrophobicContact CD2-CD2 4.15Å; L281-L295 HydrophobicContact CD2-CG 4.48Å; L295-L310 HydrophobicContact CD1-CD1 3.66Å; L295-L316 HydrophobicContact CD1-CD1 3.97Å; L295-L316 HydrophobicContact CG-CD1 4.08Å; L295-I317 PolarHBondContact N-O 2.84Å; L295-C318 CarbonylContact O-C 3.33Å; L295-C318 WeakPolarHBondContact O-CA 3.3Å; L295-T319 PolarHBondContact O-N 2.96Å
296	D	98.9	Very high	97.9	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	27%	0.274	C	S	.	.	S	Bend	trans	-86.7	-16.7	167	-172.1	64	0	0	0	111.7	N269 A270 T319 H321 T322 A323	N269-D296 PolarHBondContact O-N 2.97Å; A270-D296 HydrophobicContact CB-CB 4.22Å; D296-T319 CarbonylContact C-O 3.57Å; D296-T319 WeakPolarHBondContact CA-O 3.14Å; D296-T319 WeakPolarHBondContact CA-OG1 3.39Å; D296-T319 WeakPolarHBondContact CB-OG1 3.31Å; D296-T319 VanDerWaalsContact OD1-CB 3.26Å; D296-T319 WeakPolarHBondContact OD1-CB 3.47Å; D296-T319 PolarHBondContact OD1-OG1 2.75Å; D296-H321 WeakPolarHBondContact O-CA 3.26Å; D296-H321 PolarHBondContact O-N 2.84Å; D296-H321 WeakPolarHBondContact OD2-CA 3.33Å; D296-T322 PolarHBondContact OD1-N 3.27Å; D296-T322 PolarHBondContact OD1-OG1 2.88Å; D296-T322 PolarHBondContact OD2-N 2.91Å; D296-T322 VanDerWaalsContact OD2-N 3.12Å; D296-A323 HydrophobicContact CB-CB 4.28Å; D296-A323 PolarHBondContact OD1-N 3Å; D296-A323 WeakPolarHBondContact OD2-CB 3.29Å; D296-A323 PolarHBondContact OD2-N 3.38Å
297	V	98.8	Very high	97.7	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.018	28%	0.283	C	S	.	.			trans	-135.8	148.8	-173.1	-66.6	0	0	0	0	110.6	N269 R272 E301	N269-V297 HydrophobicContact CB-CG2 4.47Å; R272-V297 VanDerWaalsContact C-CG2 3.43Å; V297-E301 VanDerWaalsContact CA-OE1 3.25Å; V297-E301 WeakPolarHBondContact CA-OE1 3.48Å; V297-E301 WeakPolarHBondContact CB-OE1 3.47Å
298	H	98.7	Very high	97.6	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.032	29%	0.289	C	S	.	.			trans	-138.9	154.6	-167.8	-56.2	83.9	0	0	0	111.1	G273 E278 S300 E301 F303 C318	G273-H298 VanDerWaalsContact CA-C 3.41Å; G273-H298 WeakPolarHBondContact CA-O 3.22Å; E278-H298 VanDerWaalsContact OE1-CA 3.31Å; E278-H298 WeakPolarHBondContact OE1-CA 3.44Å; E278-H298 WeakPolarHBondContact OE1-CB 3.45Å; E278-H298 IonicContact OE1-CD2 3.54Å; H298-S300 PolarHBondContact O-N 2.82Å; H298-E301 HydrophobicContact CB-CG 4.14Å; H298-E301 PolarHBondContact N-OE1 2.83Å; H298-F303 HydrophobicContact CB-CB 4.24Å; H298-F303 HydrophobicContact CB-CD2 4.03Å; H298-F303 HydrophobicContact CB-CG 4.48Å; H298-F303 AromaticContact CD2-CD2 3.13Å; H298-F303 WeakPolarHBondContact CD2-CD2 3.5Å; H298-F303 AromaticContact CD2-CE2 3.49Å; H298-F303 VanDerWaalsContact CD2-CE2 3.49Å; H298-F303 WeakPolarHBondContact CD2-CE2 3.32Å; H298-F303 AromaticContact CD2-CG 3.57Å; H298-F303 AromaticContact CE1-CD1 3.98Å; H298-F303 AromaticContact CE1-CG 3.66Å; H298-F303 AromaticContact CG-CD2 3.45Å; H298-F303 VanDerWaalsContact CG-CD2 3.45Å; H298-F303 AromaticContact CG-CG 3.67Å; H298-F303 WeakPolarHBondContact ND1-CB 3.47Å; H298-F303 AromaticContact ND1-CG 3.72Å; H298-F303 AromaticContact NE2-CD1 3.82Å; H298-F303 AromaticContact NE2-CD2 3.55Å; H298-F303 AromaticContact NE2-CE2 3.81Å; H298-F303 AromaticContact NE2-CG 3.55Å; H298-C318 PolarHBondContact NE2-SG 3Å
299	E	97.7	Very high	97.6	Very high	78 Å²	78	50.9 Å²	50.9	36%	0.364	29%	0.285	S	S	.	.	S	Bend	trans	-56.2	-36.1	178.6	-81.4	-178	-173.3	0	0	111.9	H251 V276 D277 E278	H251-E299 IonicContact CD2-OE1 3.76Å; H251-E299 IonicContact CE1-OE1 3.96Å; H251-E299 PolarHBondContact CE1-OE1 3.35Å; H251-E299 IonicContact NE2-OE1 2.96Å; H251-E299 PolarHBondContact NE2-OE1 2.78Å; H251-E299 VanDerWaalsContact NE2-OE1 3.1Å; V276-E299 VanDerWaalsContact O-OE1 3.04Å; D277-E299 WeakPolarHBondContact CA-OE1 3.45Å; E278-E299 HydrophobicContact CG-CB 4.37Å; E278-E299 HydrophobicContact CG-CG 3.99Å; E278-E299 PolarHBondContact N-OE1 3.45Å; E278-E299 VanDerWaalsContact N-OE1 3.12Å; E278-E299 PolarHBondContact OE1-N 3.33Å
300	S	96.5	Very high	97.5	Very high	92 Å²	92	48.3 Å²	48.3	64%	0.643	28%	0.276	S	S	*	.	S	Bend	trans	-126.2	123	175.4	-174.9	0	0	0	0	110	H298	H298-S300 PolarHBondContact O-N 2.82Å
301	E	97.1	Very high	97.4	Very high	69 Å²	69	53.8 Å²	53.8	32%	0.322	30%	0.3	S	S	.	.	S	Bend	trans	-120.2	141.8	178.6	-67.8	176.8	-168.5	0	0	109.8	H83 V297 H298 H321	H83-E301 IonicContact CD2-OE2 2.75Å; H83-E301 IonicContact NE2-OE2 3.5Å; V297-E301 VanDerWaalsContact CA-OE1 3.25Å; V297-E301 WeakPolarHBondContact CA-OE1 3.48Å; V297-E301 WeakPolarHBondContact CB-OE1 3.47Å; H298-E301 HydrophobicContact CB-CG 4.14Å; H298-E301 PolarHBondContact N-OE1 2.83Å; E301-H321 IonicContact OE1-ND1 3.5Å; E301-H321 IonicContact OE2-CE1 3.55Å; E301-H321 IonicContact OE2-CG 3.49Å; E301-H321 IonicContact OE2-ND1 2.74Å; E301-H321 PolarHBondContact OE2-ND1 2.83Å
302	P	96.8	Very high	97.2	Very high	129 Å²	129	53.9 Å²	53.9	84%	0.838	31%	0.309	S	S	*	.	S	Bend	cis	-73.5	137.9	5.9	30.4	-35.5	0	0	0	113.6
303	F	97.2	Very high	97.2	Very high	44 Å²	44	54.7 Å²	54.7	19%	0.193	32%	0.315	C	S	.	.			trans	-70.4	143.3	179.6	177.1	-101.9	0	0	0	112.4	H298 F305 L310 C318	H298-F303 HydrophobicContact CB-CB 4.24Å; H298-F303 HydrophobicContact CB-CD2 4.03Å; H298-F303 HydrophobicContact CB-CG 4.48Å; H298-F303 AromaticContact CD2-CD2 3.13Å; H298-F303 WeakPolarHBondContact CD2-CD2 3.5Å; H298-F303 AromaticContact CD2-CE2 3.49Å; H298-F303 VanDerWaalsContact CD2-CE2 3.49Å; H298-F303 WeakPolarHBondContact CD2-CE2 3.32Å; H298-F303 AromaticContact CD2-CG 3.57Å; H298-F303 AromaticContact CE1-CD1 3.98Å; H298-F303 AromaticContact CE1-CG 3.66Å; H298-F303 AromaticContact CG-CD2 3.45Å; H298-F303 VanDerWaalsContact CG-CD2 3.45Å; H298-F303 AromaticContact CG-CG 3.67Å; H298-F303 WeakPolarHBondContact ND1-CB 3.47Å; H298-F303 AromaticContact ND1-CG 3.72Å; H298-F303 AromaticContact NE2-CD1 3.82Å; H298-F303 AromaticContact NE2-CD2 3.55Å; H298-F303 AromaticContact NE2-CE2 3.81Å; H298-F303 AromaticContact NE2-CG 3.55Å; F303-F305 AromaticContact CE1-CD1 3.9Å; F303-F305 HydrophobicContact CE1-CD1 3.9Å; F303-F305 AromaticContact CE1-CD2 3.87Å; F303-F305 HydrophobicContact CE1-CD2 3.87Å; F303-F305 AromaticContact CE1-CE1 3.92Å; F303-F305 HydrophobicContact CE1-CE1 3.92Å; F303-F305 AromaticContact CE1-CE2 3.89Å; F303-F305 HydrophobicContact CE1-CE2 3.89Å; F303-F305 AromaticContact CE1-CG 3.88Å; F303-F305 HydrophobicContact CE1-CG 3.88Å; F303-F305 AromaticContact CE1-CZ 3.93Å; F303-F305 HydrophobicContact CE1-CZ 3.93Å; F303-F305 HydrophobicContact CZ-CD1 4.03Å; F303-F305 HydrophobicContact CZ-CE1 4.17Å; F303-F305 HydrophobicContact CZ-CG 4.34Å; F303-L310 HydrophobicContact CE2-CB 4.42Å; F303-L310 HydrophobicContact CE2-CD1 4.22Å; F303-C318 HydrophobicContact CD1-CB 3.84Å; F303-C318 HydrophobicContact CE1-CB 3.52Å; F303-C318 WeakPolarHBondContact CE1-SG 3.03Å; F303-C318 HydrophobicContact CZ-CB 4.25Å; F303-C318 VanDerWaalsContact CZ-SG 3.56Å
304	S	97.1	Very high	97.2	Very high	52 Å²	52	57.1 Å²	57.1	36%	0.364	33%	0.331	S	S	.	.			trans	-140	126.8	174	179.3	0	0	0	0	111.2	A306 Q307	S304-A306 PolarHBondContact O-N 3.46Å; S304-A306 VanDerWaalsContact O-N 3.09Å; S304-A306 PolarHBondContact OG-N 2.88Å; S304-Q307 PolarHBondContact O-N 2.84Å; S304-Q307 VanDerWaalsContact O-N 3.17Å
305	F	96.4	Very high	97.2	Very high	114 Å²	114	60.1 Å²	60.1	50%	0.5	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.6	174.1	-78.3	-74.4	0	0	0	113.9	F303 Q307 L316 C318	F303-F305 AromaticContact CE1-CD1 3.9Å; F303-F305 HydrophobicContact CE1-CD1 3.9Å; F303-F305 AromaticContact CE1-CD2 3.87Å; F303-F305 HydrophobicContact CE1-CD2 3.87Å; F303-F305 AromaticContact CE1-CE1 3.92Å; F303-F305 HydrophobicContact CE1-CE1 3.92Å; F303-F305 AromaticContact CE1-CE2 3.89Å; F303-F305 HydrophobicContact CE1-CE2 3.89Å; F303-F305 AromaticContact CE1-CG 3.88Å; F303-F305 HydrophobicContact CE1-CG 3.88Å; F303-F305 AromaticContact CE1-CZ 3.93Å; F303-F305 HydrophobicContact CE1-CZ 3.93Å; F303-F305 HydrophobicContact CZ-CD1 4.03Å; F303-F305 HydrophobicContact CZ-CE1 4.17Å; F303-F305 HydrophobicContact CZ-CG 4.34Å; F305-Q307 VanDerWaalsContact C-N 3.34Å; F305-L316 HydrophobicContact CE1-CD2 4.29Å; F305-C318 HydrophobicContact CE1-CB 4.3Å; F305-C318 HydrophobicContact CE2-CB 4.08Å; F305-C318 HydrophobicContact CZ-CB 3.59Å
306	A	96.3	Very high	97.1	Very high	64 Å²	64	60.8 Å²	60.8	53%	0.529	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.4	-179.6	0	0	0	0	0	113.6	S304 K311	S304-A306 PolarHBondContact O-N 3.46Å; S304-A306 VanDerWaalsContact O-N 3.09Å; S304-A306 PolarHBondContact OG-N 2.88Å; A306-K311 WeakPolarHBondContact O-CD 3.38Å
307	Q	94.1	Very high	97.1	Very high	143 Å²	143	61.2 Å²	61.2	67%	0.668	35%	0.352	S	S	*	.	S	Bend	trans	-137.1	164.3	-169.6	-61.9	-179	-1.3	0	0	111	S304 F305	S304-Q307 PolarHBondContact O-N 2.84Å; S304-Q307 VanDerWaalsContact O-N 3.17Å; F305-Q307 VanDerWaalsContact C-N 3.34Å
308	G	95	Very high	97.1	Very high	55 Å²	55	62.1 Å²	62.1	57%	0.567	36%	0.359	S	S	*	.	S	Bend	trans	82.6	178	175.4	0	0	0	0	0	115.6	L310 K311	G308-L310 VanDerWaalsContact C-N 3.25Å; G308-L310 PolarHBondContact O-N 2.98Å; G308-K311 WeakPolarHBondContact O-CB 3.33Å; G308-K311 PolarHBondContact O-N 3.44Å
309	P	97.1	Very high	97.1	Very high	44 Å²	44	63.5 Å²	63.5	29%	0.286	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.8	-174.3	-23.6	35.2	0	0	0	114.4	E278 K279 A282	E278-P309 HydrophobicContact CB-CB 4.07Å; E278-P309 HydrophobicContact CB-CG 4.04Å; K279-P309 HydrophobicContact CG-CB 3.81Å; K279-P309 HydrophobicContact CG-CG 3.86Å; A282-P309 WeakPolarHBondContact CB-O 3.34Å
310	L	97.9	Very high	97.2	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.9	-174.6	-64.9	171.5	0	0	0	114.3	E278 L281 A282 L295 F303 G308 D312 A313 L316	E278-L310 HydrophobicContact CB-CD1 4.38Å; E278-L310 HydrophobicContact CB-CG 4.23Å; E278-L310 HydrophobicContact CG-CD1 3.98Å; E278-L310 HydrophobicContact CG-CG 4.38Å; L281-L310 HydrophobicContact CD2-CD2 4.28Å; L281-L310 HydrophobicContact CG-CD2 4.3Å; A282-L310 HydrophobicContact CB-CD2 4.05Å; L295-L310 HydrophobicContact CD1-CD1 3.66Å; F303-L310 HydrophobicContact CE2-CB 4.42Å; F303-L310 HydrophobicContact CE2-CD1 4.22Å; G308-L310 VanDerWaalsContact C-N 3.25Å; G308-L310 PolarHBondContact O-N 2.98Å; L310-D312 VanDerWaalsContact C-N 3.28Å; L310-D312 PolarHBondContact O-N 3.14Å; L310-D312 VanDerWaalsContact O-N 3.1Å; L310-A313 HydrophobicContact CB-CB 4.44Å; L310-A313 HydrophobicContact CD2-CB 4.14Å; L310-A313 VanDerWaalsContact O-CB 3.31Å; L310-A313 WeakPolarHBondContact O-CB 3.29Å; L310-A313 PolarHBondContact O-N 2.98Å; L310-L316 HydrophobicContact CB-CD2 3.85Å; L310-L316 HydrophobicContact CD1-CD2 4.15Å; L310-L316 HydrophobicContact CD2-CD2 4.28Å; L310-L316 HydrophobicContact CG-CD2 4.32Å
311	K	96	Very high	97.3	Very high	116 Å²	116	61.3 Å²	61.3	50%	0.504	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-46	-174.8	179.2	-175.9	176.7	176.9	0	114.6	A306 G308	A306-K311 WeakPolarHBondContact O-CD 3.38Å; G308-K311 WeakPolarHBondContact O-CB 3.33Å; G308-K311 PolarHBondContact O-N 3.44Å
312	D	95.1	Very high	97.4	Very high	114 Å²	114	60.9 Å²	60.9	61%	0.61	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	21.3	-177.6	-51.6	-53	0	0	0	112.1	K286 L310	K286-D312 WeakPolarHBondContact CE-O 3.43Å; L310-D312 VanDerWaalsContact C-N 3.28Å; L310-D312 PolarHBondContact O-N 3.14Å; L310-D312 VanDerWaalsContact O-N 3.1Å
313	A	98.1	Very high	97.4	Very high	16 Å²	16	54.9 Å²	54.9	13%	0.132	32%	0.319	C	S	.	.			trans	-78.3	125.1	179.8	0	0	0	0	0	110.4	A282 L285 L310 L316	A282-A313 HydrophobicContact CB-CB 4.43Å; L285-A313 HydrophobicContact CD1-CB 3.96Å; L310-A313 HydrophobicContact CB-CB 4.44Å; L310-A313 HydrophobicContact CD2-CB 4.14Å; L310-A313 VanDerWaalsContact O-CB 3.31Å; L310-A313 WeakPolarHBondContact O-CB 3.29Å; L310-A313 PolarHBondContact O-N 2.98Å; A313-L316 HydrophobicContact CB-CD2 4.44Å
314	P	98.2	Very high	97.5	Very high	52 Å²	52	55.6 Å²	55.6	34%	0.338	32%	0.321	S	S	.	.	S	Bend	trans	-76.3	164.6	177.3	33.4	-36.3	0	0	0	111.4	L285 L316	L285-P314 HydrophobicContact CB-CG 4.31Å; P314-L316 VanDerWaalsContact C-N 3.26Å; P314-L316 PolarHBondContact O-N 3.36Å
315	N	98.3	Very high	97.6	Very high	63 Å²	63	60.1 Å²	60.1	34%	0.337	33%	0.331	S	S	.	.	S	Bend	trans	53.6	39.9	172.1	-54.6	-47.5	0	0	0	114	R148 W151 R291 G292 A293	R148-N315 PolarHBondContact NH2-OD1 3.33Å; W151-N315 HydrophobicContact CH2-CB 4.38Å; W151-N315 VanDerWaalsContact CZ2-C 3.45Å; W151-N315 HydrophobicContact CZ2-CB 4.25Å; W151-N315 WeakPolarHBondContact CZ2-O 3.48Å; R291-N315 WeakPolarHBondContact O-CB 3.45Å; R291-N315 PolarHBondContact O-ND2 3.44Å; G292-N315 CarbonylContact C-O 3.6Å; G292-N315 WeakPolarHBondContact CA-O 3.43Å; A293-N315 PolarHBondContact N-O 3.25Å
316	L	98.7	Very high	97.7	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.7	179.5	-172.8	64.2	0	0	0	110.6	W151 L285 A293 L295 F305 L310 A313 P314	W151-L316 PolarHBondContact NE1-O 2.87Å; L285-L316 HydrophobicContact CD1-CD1 4.36Å; A293-L316 HydrophobicContact CB-CD1 4Å; A293-L316 CarbonylContact O-C 3.6Å; A293-L316 WeakPolarHBondContact O-CA 3.47Å; L295-L316 HydrophobicContact CD1-CD1 3.97Å; L295-L316 HydrophobicContact CG-CD1 4.08Å; F305-L316 HydrophobicContact CE1-CD2 4.29Å; L310-L316 HydrophobicContact CB-CD2 3.85Å; L310-L316 HydrophobicContact CD1-CD2 4.15Å; L310-L316 HydrophobicContact CD2-CD2 4.28Å; L310-L316 HydrophobicContact CG-CD2 4.32Å; A313-L316 HydrophobicContact CB-CD2 4.44Å; P314-L316 VanDerWaalsContact C-N 3.26Å; P314-L316 PolarHBondContact O-N 3.36Å
317	I	98.8	Very high	97.8	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.062	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.1	165.9	-65	176	0	0	0	106.6	N144 L145 W151 A293 A294 L295	N144-I317 HydrophobicContact CB-CD1 3.74Å; L145-I317 HydrophobicContact CD2-CD1 4.17Å; W151-I317 HydrophobicContact CH2-CD1 4.46Å; W151-I317 HydrophobicContact CZ2-CD1 4.03Å; W151-I317 HydrophobicContact CZ2-CG1 3.78Å; A293-I317 PolarHBondContact O-N 2.95Å; A294-I317 CarbonylContact C-O 3.53Å; A294-I317 VanDerWaalsContact CA-O 3.29Å; A294-I317 WeakPolarHBondContact CA-O 3.5Å; A294-I317 HydrophobicContact CB-CB 4.06Å; A294-I317 HydrophobicContact CB-CG2 4.44Å; L295-I317 PolarHBondContact N-O 2.84Å
318	C	98.8	Very high	98	Very high	23 Å²	23	59 Å²	59	16%	0.155	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.1	174.9	-63	0	0	0	0	110.3	L295 H298 F303 F305	L295-C318 CarbonylContact O-C 3.33Å; L295-C318 WeakPolarHBondContact O-CA 3.3Å; H298-C318 PolarHBondContact NE2-SG 3Å; F303-C318 HydrophobicContact CD1-CB 3.84Å; F303-C318 HydrophobicContact CE1-CB 3.52Å; F303-C318 WeakPolarHBondContact CE1-SG 3.03Å; F303-C318 HydrophobicContact CZ-CB 4.25Å; F303-C318 VanDerWaalsContact CZ-SG 3.56Å; F305-C318 HydrophobicContact CE1-CB 4.3Å; F305-C318 HydrophobicContact CE2-CB 4.08Å; F305-C318 HydrophobicContact CZ-CB 3.59Å
319	T	98.7	Very high	98.2	Very high	36 Å²	36	56.5 Å²	56.5	22%	0.221	29%	0.292	C	S	.	.			trans	-122.1	149.4	166.9	45.5	0	0	0	0	109.7	H141 L295 D296 H321	H141-T319 PolarHBondContact CE1-OG1 2.96Å; H141-T319 PolarHBondContact NE2-OG1 3.07Å; L295-T319 PolarHBondContact O-N 2.96Å; D296-T319 CarbonylContact C-O 3.57Å; D296-T319 WeakPolarHBondContact CA-O 3.14Å; D296-T319 WeakPolarHBondContact CA-OG1 3.39Å; D296-T319 WeakPolarHBondContact CB-OG1 3.31Å; D296-T319 VanDerWaalsContact OD1-CB 3.26Å; D296-T319 WeakPolarHBondContact OD1-CB 3.47Å; D296-T319 PolarHBondContact OD1-OG1 2.75Å; T319-H321 VanDerWaalsContact C-N 3.31Å; T319-H321 PolarHBondContact O-N 3.3Å
320	P	98.5	Very high	98.2	Very high	100 Å²	100	55.4 Å²	55.4	65%	0.649	29%	0.286	S	S	*	.	S	Bend	trans	-88.4	62	-168.5	34.7	-34	0	0	0	112.3	T322	P320-T322 HydrophobicContact CG-CG2 3.8Å
321	H	98.6	Very high	98.3	Very high	23 Å²	23	59 Å²	59	11%	0.106	31%	0.305	C	S	.	.	S	Bend	trans	56.4	51.9	179.6	-158.6	156.5	0	0	0	112.9	H83 D296 E301 T319 W324	H83-H321 AromaticContact CD2-CE1 3.44Å; H83-H321 PolarHBondContact CD2-CE1 2.79Å; H83-H321 VanDerWaalsContact CD2-CE1 3.44Å; H83-H321 AromaticContact CD2-ND1 3.35Å; H83-H321 PolarHBondContact CD2-ND1 3.16Å; H83-H321 VanDerWaalsContact CD2-ND1 3.35Å; H83-H321 AromaticContact CE1-CE1 3.92Å; H83-H321 AromaticContact CE1-CG 4Å; H83-H321 AromaticContact CE1-ND1 3.74Å; H83-H321 AromaticContact CG-CE1 3.56Å; H83-H321 AromaticContact CG-ND1 3.91Å; H83-H321 AromaticContact ND1-CE1 3.86Å; H83-H321 AromaticContact NE2-CE1 3.7Å; H83-H321 AromaticContact NE2-CG 3.81Å; H83-H321 AromaticContact NE2-ND1 3.25Å; H83-H321 PolarHBondContact NE2-ND1 2.95Å; D296-H321 WeakPolarHBondContact O-CA 3.26Å; D296-H321 PolarHBondContact O-N 2.84Å; D296-H321 WeakPolarHBondContact OD2-CA 3.33Å; E301-H321 IonicContact OE1-ND1 3.5Å; E301-H321 IonicContact OE2-CE1 3.55Å; E301-H321 IonicContact OE2-CG 3.49Å; E301-H321 IonicContact OE2-ND1 2.74Å; E301-H321 PolarHBondContact OE2-ND1 2.83Å; T319-H321 VanDerWaalsContact C-N 3.31Å; T319-H321 PolarHBondContact O-N 3.3Å; H321-W324 AromaticContact CD2-CD1 3.95Å; H321-W324 VanDerWaalsContact O-CD1 3.27Å; H321-W324 PolarHBondContact O-NE1 2.84Å
322	T	98.7	Very high	98.4	Very high	60 Å²	60	58.1 Å²	58.1	37%	0.368	30%	0.302	S	S	.	.			trans	-114.7	-5.1	-170.7	50.7	0	0	0	0	114.1	D296 P320 W324 Y325	D296-T322 PolarHBondContact OD1-N 3.27Å; D296-T322 PolarHBondContact OD1-OG1 2.88Å; D296-T322 PolarHBondContact OD2-N 2.91Å; D296-T322 VanDerWaalsContact OD2-N 3.12Å; P320-T322 HydrophobicContact CG-CG2 3.8Å; T322-W324 PolarHBondContact O-N 2.67Å; T322-Y325 PolarHBondContact O-N 3.37Å
323	A	98.7	Very high	98.6	Very high	3 Å²	3	53 Å²	53	3%	0.025	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.6	-175.6	0	0	0	0	0	113.2	E133 T134 S137 A270 D296	E133-A323 CarbonylContact C-O 3.54Å; E133-A323 VanDerWaalsContact O-O 3.08Å; T134-A323 VanDerWaalsContact CA-O 3.24Å; T134-A323 WeakPolarHBondContact CA-O 3.35Å; T134-A323 HydrophobicContact CG2-CB 4.28Å; T134-A323 PolarHBondContact N-O 2.84Å; T134-A323 VanDerWaalsContact N-O 3.13Å; S137-A323 PolarHBondContact OG-O 2.78Å; A270-A323 HydrophobicContact CB-CB 4.38Å; D296-A323 HydrophobicContact CB-CB 4.28Å; D296-A323 PolarHBondContact OD1-N 3Å; D296-A323 WeakPolarHBondContact OD2-CB 3.29Å; D296-A323 PolarHBondContact OD2-N 3.38Å
324	W	98.7	Very high	98.6	Very high	60 Å²	60	53 Å²	53	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-18	178.8	70.1	-89.3	0	0	0	114.5	A130 H321 T322 S326 M333	A130-W324 HydrophobicContact CB-CB 3.83Å; A130-W324 WeakPolarHBondContact CB-O 3.36Å; H321-W324 AromaticContact CD2-CD1 3.95Å; H321-W324 VanDerWaalsContact O-CD1 3.27Å; H321-W324 PolarHBondContact O-NE1 2.84Å; T322-W324 PolarHBondContact O-N 2.67Å; W324-S326 PolarHBondContact O-N 3.38Å; W324-M333 HydrophobicContact CD2-CE 4.31Å; W324-M333 HydrophobicContact CE3-CE 3.23Å; W324-M333 HydrophobicContact CE3-SD 3.81Å; W324-M333 HydrophobicContact CH2-SD 4.41Å; W324-M333 HydrophobicContact CZ3-CE 3.5Å; W324-M333 HydrophobicContact CZ3-SD 3.59Å; W324-M333 VanDerWaalsContact CZ3-SD 3.59Å
325	Y	98.7	Very high	98.6	Very high	146 Å²	146	54.8 Å²	54.8	57%	0.573	28%	0.275	S	S	*	.			trans	-86.4	118.5	-162.5	-179.2	-98.5	0	0	0	112.7	T322	T322-Y325 PolarHBondContact O-N 3.37Å
326	S	98.6	Very high	98.6	Very high	21 Å²	21	53.3 Å²	53.3	15%	0.147	27%	0.272	C	S	.	.			trans	-134.3	160.7	153	70.9	0	0	0	0	107.6	E133 W324 Q328 A329 S330	E133-S326 PolarHBondContact OE1-OG 2.97Å; W324-S326 PolarHBondContact O-N 3.38Å; S326-Q328 PolarHBondContact O-N 3.09Å; S326-A329 PolarHBondContact O-N 3.42Å; S326-A329 WeakPolarHBondContact OG-CB 3.31Å; S326-A329 PolarHBondContact OG-N 3.47Å; S326-S330 WeakPolarHBondContact O-CB 3.24Å; S326-S330 PolarHBondContact O-N 3.41Å
327	E	98.2	Very high	98.6	Very high	149 Å²	149	52.5 Å²	52.5	70%	0.696	27%	0.268	S	S	*	.	H	α-helix	trans	-56.7	-40.8	175.6	-176.2	178	-179.7	0	0	110.5	L331	E327-L331 WeakPolarHBondContact O-CB 3.42Å; E327-L331 PolarHBondContact O-N 3.36Å; E327-L331 VanDerWaalsContact O-N 3.12Å
328	Q	98.7	Very high	98.6	Very high	129 Å²	129	52 Å²	52	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-69.8	-48.2	180	-60.9	78	8	0	0	112	S326 S330 L331 E332	S326-Q328 PolarHBondContact O-N 3.09Å; Q328-S330 VanDerWaalsContact C-N 3.34Å; Q328-S330 PolarHBondContact O-N 2.83Å; Q328-L331 PolarHBondContact O-N 3.24Å; Q328-E332 WeakPolarHBondContact O-CB 3.36Å; Q328-E332 PolarHBondContact O-N 2.98Å
329	A	98.5	Very high	98.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-40.4	179.1	0	0	0	0	0	111.7	A129 A130 E133 S326 L331 E332 M333	A129-A329 VanDerWaalsContact O-CB 3.29Å; A129-A329 WeakPolarHBondContact O-CB 3.41Å; A130-A329 HydrophobicContact CB-CB 4.2Å; E133-A329 HydrophobicContact CG-CB 4.18Å; S326-A329 PolarHBondContact O-N 3.42Å; S326-A329 WeakPolarHBondContact OG-CB 3.31Å; S326-A329 PolarHBondContact OG-N 3.47Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-E332 PolarHBondContact O-N 3.06Å; A329-M333 HydrophobicContact CB-CE 4.31Å; A329-M333 WeakPolarHBondContact O-CE 3.42Å; A329-M333 VanDerWaalsContact O-CG 3.32Å; A329-M333 WeakPolarHBondContact O-CG 3.38Å; A329-M333 PolarHBondContact O-N 3.3Å
330	S	98.6	Very high	98.6	Very high	21 Å²	21	51.4 Å²	51.4	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-41.1	176.1	-174.8	0	0	0	0	111.8	S326 Q328 M333 R334	S326-S330 WeakPolarHBondContact O-CB 3.24Å; S326-S330 PolarHBondContact O-N 3.41Å; Q328-S330 VanDerWaalsContact C-N 3.34Å; Q328-S330 PolarHBondContact O-N 2.83Å; S330-M333 WeakPolarHBondContact O-CG 3.42Å; S330-R334 WeakPolarHBondContact O-CB 3.45Å; S330-R334 WeakPolarHBondContact O-CD 3.4Å; S330-R334 WeakPolarHBondContact O-CG 3.24Å; S330-R334 PolarHBondContact O-N 3.3Å
331	L	98.5	Very high	98.6	Very high	79 Å²	79	46.6 Å²	46.6	41%	0.414	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-52.5	175.5	-179.8	62.1	0	0	0	110.6	V46 E327 Q328 A329 M333 R334 E335	V46-L331 HydrophobicContact CG1-CD1 3.84Å; V46-L331 HydrophobicContact CG2-CD1 3.82Å; E327-L331 WeakPolarHBondContact O-CB 3.42Å; E327-L331 PolarHBondContact O-N 3.36Å; E327-L331 VanDerWaalsContact O-N 3.12Å; Q328-L331 PolarHBondContact O-N 3.24Å; A329-L331 VanDerWaalsContact C-N 3.35Å; L331-M333 VanDerWaalsContact C-N 3.34Å; L331-M333 PolarHBondContact O-N 2.81Å; L331-R334 PolarHBondContact O-N 3.05Å; L331-E335 HydrophobicContact CD1-CG 4.08Å; L331-E335 HydrophobicContact CG-CG 4.36Å; L331-E335 WeakPolarHBondContact O-CG 3.37Å; L331-E335 PolarHBondContact O-N 2.79Å
332	E	98.6	Very high	98.6	Very high	96 Å²	96	49.5 Å²	49.5	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-55.5	-46.3	-177.8	-176.1	-176.6	146.8	0	0	111.8	A129 Q328 A329 R334 E335 A336	A129-E332 HydrophobicContact CB-CB 4.42Å; A129-E332 HydrophobicContact CB-CG 4.23Å; Q328-E332 WeakPolarHBondContact O-CB 3.36Å; Q328-E332 PolarHBondContact O-N 2.98Å; A329-E332 PolarHBondContact O-N 3.06Å; E332-R334 PolarHBondContact O-N 3.06Å; E332-E335 PolarHBondContact O-N 3.24Å; E332-A336 VanDerWaalsContact O-CB 3.23Å; E332-A336 WeakPolarHBondContact O-CB 3.05Å; E332-A336 PolarHBondContact O-N 3.3Å
333	M	98.4	Very high	98.5	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-68.6	-35.2	-178	68.3	-178.1	71.9	0	0	113.6	I104 I126 A129 A130 W324 A329 S330 L331 A337	I104-M333 HydrophobicContact CG2-CB 4.17Å; I104-M333 HydrophobicContact CG2-CG 3.6Å; I104-M333 HydrophobicContact CG2-SD 3.83Å; I126-M333 HydrophobicContact CB-CB 4.45Å; I126-M333 HydrophobicContact CG2-CB 4.04Å; A129-M333 HydrophobicContact CB-CB 3.59Å; A129-M333 HydrophobicContact CB-CE 4.35Å; A130-M333 HydrophobicContact CB-CE 4.06Å; W324-M333 HydrophobicContact CD2-CE 4.31Å; W324-M333 HydrophobicContact CE3-CE 3.23Å; W324-M333 HydrophobicContact CE3-SD 3.81Å; W324-M333 HydrophobicContact CH2-SD 4.41Å; W324-M333 HydrophobicContact CZ3-CE 3.5Å; W324-M333 HydrophobicContact CZ3-SD 3.59Å; W324-M333 VanDerWaalsContact CZ3-SD 3.59Å; A329-M333 HydrophobicContact CB-CE 4.31Å; A329-M333 WeakPolarHBondContact O-CE 3.42Å; A329-M333 VanDerWaalsContact O-CG 3.32Å; A329-M333 WeakPolarHBondContact O-CG 3.38Å; A329-M333 PolarHBondContact O-N 3.3Å; S330-M333 WeakPolarHBondContact O-CG 3.42Å; L331-M333 VanDerWaalsContact C-N 3.34Å; L331-M333 PolarHBondContact O-N 2.81Å; M333-A337 VanDerWaalsContact O-CB 3.26Å; M333-A337 WeakPolarHBondContact O-CB 3.45Å; M333-A337 PolarHBondContact O-N 2.87Å
334	R	98.7	Very high	98.4	Very high	17 Å²	17	50.8 Å²	50.8	6%	0.064	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-43.1	177.4	-72.9	178	68.1	-173.6	-2.4	110.8	D43 V46 E47 I104 S330 L331 E332 A336 A337 A338	D43-R334 PolarHBondContact O-NH2 3.1Å; D43-R334 IonicContact OD1-NH1 3.9Å; D43-R334 IonicContact OD1-NH2 2.78Å; D43-R334 PolarHBondContact OD1-NH2 2.87Å; D43-R334 IonicContact OD2-CZ 2.77Å; D43-R334 IonicContact OD2-NH1 3.73Å; D43-R334 PolarHBondContact OD2-NH1 3.41Å; D43-R334 IonicContact OD2-NH2 2.79Å; D43-R334 PolarHBondContact OD2-NH2 3.49Å; V46-R334 HydrophobicContact CB-CB 4.05Å; V46-R334 HydrophobicContact CG1-CB 3.68Å; E47-R334 WeakPolarHBondContact OE1-CB 3.46Å; E47-R334 WeakPolarHBondContact OE1-CG 3.42Å; E47-R334 IonicContact OE1-CZ 3.64Å; E47-R334 IonicContact OE1-NE 3.69Å; E47-R334 PolarHBondContact OE1-NE 3.48Å; E47-R334 IonicContact OE1-NH2 3.86Å; E47-R334 PolarHBondContact OE1-NH2 2.93Å; E47-R334 IonicContact OE2-CZ 2.77Å; E47-R334 IonicContact OE2-NE 2.75Å; E47-R334 PolarHBondContact OE2-NE 3.19Å; E47-R334 IonicContact OE2-NH2 3.88Å; E47-R334 PolarHBondContact OE2-NH2 3.29Å; I104-R334 HydrophobicContact CG2-CG 4.1Å; S330-R334 WeakPolarHBondContact O-CB 3.45Å; S330-R334 WeakPolarHBondContact O-CD 3.4Å; S330-R334 WeakPolarHBondContact O-CG 3.24Å; S330-R334 PolarHBondContact O-N 3.3Å; L331-R334 PolarHBondContact O-N 3.05Å; E332-R334 PolarHBondContact O-N 3.06Å; R334-A336 PolarHBondContact O-N 3.48Å; R334-A337 PolarHBondContact O-N 2.9Å; R334-A338 WeakPolarHBondContact O-CB 3.34Å; R334-A338 PolarHBondContact O-N 3.19Å
335	E	98.7	Very high	98.3	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.421	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-44.3	173.2	-68.6	-173	152.5	0	0	111.9	V46 I50 L331 E332 A338 T339	V46-E335 HydrophobicContact CG1-CG 3.63Å; I50-E335 HydrophobicContact CD1-CB 4.06Å; I50-E335 HydrophobicContact CD1-CG 4.01Å; L331-E335 HydrophobicContact CD1-CG 4.08Å; L331-E335 HydrophobicContact CG-CG 4.36Å; L331-E335 WeakPolarHBondContact O-CG 3.37Å; L331-E335 PolarHBondContact O-N 2.79Å; E332-E335 PolarHBondContact O-N 3.24Å; E335-A338 PolarHBondContact O-N 3.33Å; E335-T339 WeakPolarHBondContact O-CB 3.39Å; E335-T339 PolarHBondContact O-N 3.2Å; E335-T339 PolarHBondContact O-OG1 3.23Å
336	A	98.6	Very high	98.2	Very high	31 Å²	31	46.6 Å²	46.6	26%	0.256	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-38.9	178.7	0	0	0	0	0	112.1	I126 E332 R334 T339 E340	I126-A336 HydrophobicContact CD1-CB 3.81Å; I126-A336 HydrophobicContact CG1-CB 4.42Å; I126-A336 HydrophobicContact CG2-CB 3.99Å; E332-A336 VanDerWaalsContact O-CB 3.23Å; E332-A336 WeakPolarHBondContact O-CB 3.05Å; E332-A336 PolarHBondContact O-N 3.3Å; R334-A336 PolarHBondContact O-N 3.48Å; A336-T339 PolarHBondContact O-N 2.7Å; A336-E340 PolarHBondContact O-N 3.13Å
337	A	98.7	Very high	97.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-46.4	175.6	0	0	0	0	0	112.4	M80 V102 I104 I126 M333 R334 T339 E340 I341	M80-A337 HydrophobicContact SD-CB 4.48Å; V102-A337 HydrophobicContact CG1-CB 3.74Å; I104-A337 HydrophobicContact CG1-CB 3.78Å; I126-A337 HydrophobicContact CD1-CB 4.21Å; I126-A337 HydrophobicContact CG1-CB 4.13Å; M333-A337 VanDerWaalsContact O-CB 3.26Å; M333-A337 WeakPolarHBondContact O-CB 3.45Å; M333-A337 PolarHBondContact O-N 2.87Å; R334-A337 PolarHBondContact O-N 2.9Å; A337-T339 VanDerWaalsContact C-N 3.27Å; A337-T339 PolarHBondContact O-N 3.28Å; A337-E340 PolarHBondContact O-N 3.46Å; A337-E340 VanDerWaalsContact O-N 3.1Å; A337-I341 PolarHBondContact O-N 2.71Å
338	A	98.7	Very high	97.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-40.4	173.8	0	0	0	0	0	111.6	E47 I50 L51 R334 E335 E340 I341 R342	E47-A338 HydrophobicContact CB-CB 3.98Å; E47-A338 HydrophobicContact CG-CB 4.01Å; I50-A338 HydrophobicContact CB-CB 3.96Å; I50-A338 HydrophobicContact CD1-CB 3.84Å; I50-A338 HydrophobicContact CG2-CB 3.81Å; L51-A338 HydrophobicContact CD1-CB 4.25Å; L51-A338 WeakPolarHBondContact CD2-O 3.48Å; L51-A338 HydrophobicContact CG-CB 4.29Å; R334-A338 WeakPolarHBondContact O-CB 3.34Å; R334-A338 PolarHBondContact O-N 3.19Å; E335-A338 PolarHBondContact O-N 3.33Å; A338-E340 VanDerWaalsContact C-N 3.32Å; A338-E340 PolarHBondContact O-N 3Å; A338-I341 PolarHBondContact O-N 3.27Å; A338-R342 PolarHBondContact O-N 3.15Å
339	T	98.6	Very high	97.5	Very high	47 Å²	47	42.8 Å²	42.8	29%	0.288	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-36.1	175.7	-56	0	0	0	0	111.9	E335 A336 A337 R342 R343	E335-T339 WeakPolarHBondContact O-CB 3.39Å; E335-T339 PolarHBondContact O-N 3.2Å; E335-T339 PolarHBondContact O-OG1 3.23Å; A336-T339 PolarHBondContact O-N 2.7Å; A337-T339 VanDerWaalsContact C-N 3.27Å; A337-T339 PolarHBondContact O-N 3.28Å; T339-R342 WeakPolarHBondContact O-CB 3.43Å; T339-R342 PolarHBondContact O-N 2.83Å; T339-R343 WeakPolarHBondContact O-CG 3.48Å; T339-R343 PolarHBondContact O-N 3.41Å
340	E	98.7	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-41	175.7	-169.1	75.5	134.2	0	0	112.1	V102 C124 A336 A337 A338 R342 R343 A344 R354 N355	V102-E340 HydrophobicContact CG1-CB 4.25Å; V102-E340 HydrophobicContact CG1-CG 4.46Å; V102-E340 HydrophobicContact CG2-CB 4.19Å; V102-E340 HydrophobicContact CG2-CG 4.03Å; C124-E340 HydrophobicContact CB-CG 3.8Å; C124-E340 PolarHBondContact SG-OE1 3.24Å; C124-E340 VanDerWaalsContact SG-OE1 3.33Å; A336-E340 PolarHBondContact O-N 3.13Å; A337-E340 PolarHBondContact O-N 3.46Å; A337-E340 VanDerWaalsContact O-N 3.1Å; A338-E340 VanDerWaalsContact C-N 3.32Å; A338-E340 PolarHBondContact O-N 3Å; E340-R342 VanDerWaalsContact C-N 3.3Å; E340-R342 PolarHBondContact O-N 3.4Å; E340-R343 PolarHBondContact O-N 3.44Å; E340-R343 WeakPolarHBondContact OE2-CD 3.46Å; E340-R343 IonicContact OE2-CZ 3.57Å; E340-R343 IonicContact OE2-NH1 3.46Å; E340-R343 PolarHBondContact OE2-NH1 3.22Å; E340-A344 PolarHBondContact O-N 3.3Å; E340-R354 PolarHBondContact OE1-N 3.31Å; E340-R354 WeakPolarHBondContact OE2-CB 3.17Å; E340-R354 PolarHBondContact OE2-N 2.86Å; E340-N355 PolarHBondContact OE1-N 3.19Å
341	I	98.3	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-44	169.8	-67.5	-66.9	0	0	0	110.7	V36 L51 M80 V100 V102 A337 A338 R343 A344 I345	V36-I341 HydrophobicContact CB-CG2 4.45Å; V36-I341 HydrophobicContact CG1-CD1 4.46Å; V36-I341 HydrophobicContact CG1-CG1 4.39Å; V36-I341 HydrophobicContact CG1-CG2 3.92Å; V36-I341 HydrophobicContact CG2-CG2 3.66Å; L51-I341 HydrophobicContact CD1-CB 4.28Å; L51-I341 HydrophobicContact CD1-CG2 3.96Å; L51-I341 HydrophobicContact CD2-CB 4.25Å; L51-I341 HydrophobicContact CD2-CG2 3.87Å; M80-I341 HydrophobicContact CG-CD1 4.04Å; M80-I341 HydrophobicContact CG-CG1 3.68Å; M80-I341 HydrophobicContact SD-CG1 3.89Å; V100-I341 HydrophobicContact CG1-CD1 3.84Å; V102-I341 HydrophobicContact CB-CD1 4.2Å; V102-I341 HydrophobicContact CB-CG1 4.41Å; V102-I341 HydrophobicContact CG2-CD1 3.47Å; V102-I341 VanDerWaalsContact CG2-CD1 3.47Å; V102-I341 HydrophobicContact CG2-CG1 3.83Å; A337-I341 PolarHBondContact O-N 2.71Å; A338-I341 PolarHBondContact O-N 3.27Å; I341-R343 PolarHBondContact O-N 2.64Å; I341-A344 WeakPolarHBondContact O-CB 3.38Å; I341-A344 PolarHBondContact O-N 3.23Å; I341-A344 VanDerWaalsContact O-N 3.14Å; I341-I345 HydrophobicContact CG2-CD1 3.73Å; I341-I345 HydrophobicContact CG2-CG1 4.38Å; I341-I345 WeakPolarHBondContact O-CG1 3.48Å; I341-I345 PolarHBondContact O-N 2.97Å
342	R	97.9	Very high	96.9	Very high	84 Å²	84	47.4 Å²	47.4	32%	0.317	24%	0.235	S	C	.	.	H	α-helix	trans	-56.2	-49.1	176	-178.2	174.1	-171.1	100.1	6.8	111.1	I50 L51 D53 L54 A338 T339 E340 A344 I345 T346	I50-R342 PolarHBondContact O-NH1 2.71Å; L51-R342 HydrophobicContact CD2-CB 3.97Å; D53-R342 VanDerWaalsContact CG-NH1 3.29Å; D53-R342 IonicContact OD1-CZ 3.2Å; D53-R342 IonicContact OD1-NH1 2.84Å; D53-R342 PolarHBondContact OD1-NH1 3.1Å; D53-R342 IonicContact OD2-CZ 3.68Å; D53-R342 IonicContact OD2-NH1 3.41Å; D53-R342 PolarHBondContact OD2-NH1 3.28Å; D53-R342 IonicContact OD2-NH2 2.67Å; D53-R342 PolarHBondContact OD2-NH2 3.25Å; L54-R342 HydrophobicContact CD1-CG 3.7Å; L54-R342 VanDerWaalsContact CD1-CZ 3.47Å; A338-R342 PolarHBondContact O-N 3.15Å; T339-R342 WeakPolarHBondContact O-CB 3.43Å; T339-R342 PolarHBondContact O-N 2.83Å; E340-R342 VanDerWaalsContact C-N 3.3Å; E340-R342 PolarHBondContact O-N 3.4Å; R342-A344 VanDerWaalsContact C-N 3.28Å; R342-A344 PolarHBondContact O-N 3.43Å; R342-I345 PolarHBondContact O-N 3.5Å; R342-T346 HydrophobicContact CG-CG2 4.44Å; R342-T346 PolarHBondContact O-N 3.21Å; R342-T346 PolarHBondContact O-OG1 3.29Å
343	R	97.7	Very high	96.9	Very high	87 Å²	87	43.1 Å²	43.1	33%	0.328	22%	0.216	S	C	.	.	H	α-helix	trans	-58.2	-40.3	176.3	-68.8	-177	-159.9	105.9	5.7	112.1	T339 E340 I341 G347	T339-R343 WeakPolarHBondContact O-CG 3.48Å; T339-R343 PolarHBondContact O-N 3.41Å; E340-R343 PolarHBondContact O-N 3.44Å; E340-R343 WeakPolarHBondContact OE2-CD 3.46Å; E340-R343 IonicContact OE2-CZ 3.57Å; E340-R343 IonicContact OE2-NH1 3.46Å; E340-R343 PolarHBondContact OE2-NH1 3.22Å; I341-R343 PolarHBondContact O-N 2.64Å; R343-G347 WeakPolarHBondContact O-CA 3.33Å; R343-G347 PolarHBondContact O-N 3.47Å
344	A	97.1	Very high	96.9	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-39.3	178.2	0	0	0	0	0	112.7	V100 E340 I341 R342 I349 L353	V100-A344 HydrophobicContact CB-CB 4.08Å; V100-A344 HydrophobicContact CG1-CB 3.72Å; V100-A344 HydrophobicContact CG2-CB 4.1Å; E340-A344 PolarHBondContact O-N 3.3Å; I341-A344 WeakPolarHBondContact O-CB 3.38Å; I341-A344 PolarHBondContact O-N 3.23Å; I341-A344 VanDerWaalsContact O-N 3.14Å; R342-A344 VanDerWaalsContact C-N 3.28Å; R342-A344 PolarHBondContact O-N 3.43Å; A344-I349 HydrophobicContact CB-CD1 4.01Å; A344-I349 HydrophobicContact CB-CG1 4.23Å; A344-L353 HydrophobicContact CB-CD2 3.61Å
345	I	96	Very high	96.8	Very high	26 Å²	26	52.7 Å²	52.7	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-74	-43.4	179.6	-68.5	169.5	0	0	0	111.4	L30 P34 V36 A55 I341 R342	L30-I345 HydrophobicContact CD1-CG2 4.26Å; P34-I345 HydrophobicContact CG-CD1 3.97Å; P34-I345 HydrophobicContact CG-CG1 4.24Å; P34-I345 HydrophobicContact CG-CG2 4.09Å; V36-I345 HydrophobicContact CG2-CD1 3.88Å; A55-I345 HydrophobicContact CB-CD1 3.96Å; I341-I345 HydrophobicContact CG2-CD1 3.73Å; I341-I345 HydrophobicContact CG2-CG1 4.38Å; I341-I345 WeakPolarHBondContact O-CG1 3.48Å; I341-I345 PolarHBondContact O-N 2.97Å; R342-I345 PolarHBondContact O-N 3.5Å
346	T	95.6	Very high	96.8	Very high	92 Å²	92	49.2 Å²	49.2	56%	0.564	24%	0.24	S	C	*	.	H	α-helix	trans	-84.9	-21.7	-175.3	59.2	0	0	0	0	113.7	L54 R342	L54-T346 HydrophobicContact CD1-CG2 3.62Å; L54-T346 HydrophobicContact CD2-CG2 4.4Å; R342-T346 HydrophobicContact CG-CG2 4.44Å; R342-T346 PolarHBondContact O-N 3.21Å; R342-T346 PolarHBondContact O-OG1 3.29Å
347	G	94.2	Very high	96.7	Very high	26 Å²	26	49 Å²	49	27%	0.268	24%	0.236	S	C	.	.	S	Bend	trans	-109.8	-171.7	-174	0	0	0	0	0	114	R343 S352	R343-G347 WeakPolarHBondContact O-CA 3.33Å; R343-G347 PolarHBondContact O-N 3.47Å; G347-S352 WeakPolarHBondContact CA-OG 3.48Å
348	R	93.4	Very high	96.7	Very high	183 Å²	183	49 Å²	49	69%	0.691	24%	0.236	S	C	*	.			trans	-94.3	132.3	171.3	-64.6	-175.4	-178.4	-177.7	1	110	E351 S352	R348-E351 PolarHBondContact O-N 2.97Å; R348-S352 PolarHBondContact N-OG 2.75Å; R348-S352 WeakPolarHBondContact O-CB 3.22Å; R348-S352 PolarHBondContact O-N 3.25Å; R348-S352 PolarHBondContact O-OG 3.14Å
349	I	94.4	Very high	96.5	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.056	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	134.3	175.7	-65	171.8	0	0	0	108.3	N27 R99 V100 A122 A344 L353 F362	N27-I349 PolarHBondContact ND2-O 3.37Å; R99-I349 HydrophobicContact CB-CD1 3.92Å; V100-I349 HydrophobicContact CB-CD1 4.29Å; A122-I349 HydrophobicContact CB-CG2 3.61Å; A344-I349 HydrophobicContact CB-CD1 4.01Å; A344-I349 HydrophobicContact CB-CG1 4.23Å; I349-L353 HydrophobicContact CG2-CD1 4.08Å; I349-F362 HydrophobicContact CG2-CE1 4.41Å; I349-F362 HydrophobicContact CG2-CZ 4.34Å
350	P	93.9	Very high	96.2	Very high	16 Å²	16	57.6 Å²	57.6	10%	0.104	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.1	1.8	0.2	36.7	-36.5	0	0	0	115.4	S352 L353 K359 F362	P350-S352 VanDerWaalsContact C-N 3.32Å; P350-S352 PolarHBondContact O-N 3.05Å; P350-L353 HydrophobicContact CB-CD1 4.29Å; P350-L353 WeakPolarHBondContact O-CB 3.18Å; P350-L353 PolarHBondContact O-N 3.24Å; P350-K359 HydrophobicContact CB-CG 4.29Å; P350-F362 HydrophobicContact CB-CE2 4.28Å; P350-F362 HydrophobicContact CB-CZ 4.3Å; P350-F362 HydrophobicContact CG-CD2 4.38Å; P350-F362 HydrophobicContact CG-CE2 4.37Å; P350-F362 HydrophobicContact CG-CZ 4.49Å
351	E	93.5	Very high	95.9	Very high	132 Å²	132	60.5 Å²	60.5	62%	0.617	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-33.7	-169.5	-66.5	70.1	-147.1	0	0	114	R348 L353	R348-E351 PolarHBondContact O-N 2.97Å; E351-L353 VanDerWaalsContact C-N 3.3Å
352	S	95.9	Very high	95.4	Very high	49 Å²	49	62.8 Å²	62.8	34%	0.343	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.8	-176.7	-53.4	0	0	0	0	113.3	G347 R348 P350	G347-S352 WeakPolarHBondContact CA-OG 3.48Å; R348-S352 PolarHBondContact N-OG 2.75Å; R348-S352 WeakPolarHBondContact O-CB 3.22Å; R348-S352 PolarHBondContact O-N 3.25Å; R348-S352 PolarHBondContact O-OG 3.14Å; P350-S352 VanDerWaalsContact C-N 3.32Å; P350-S352 PolarHBondContact O-N 3.05Å
353	L	97.5	Very high	94	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.037	31%	0.306	C	S	.	.			trans	-82.4	134.2	-176.8	-57.4	178.3	0	0	0	110.7	V100 A122 A344 I349 P350 E351 C356	V100-L353 HydrophobicContact CG2-CD1 4.48Å; A122-L353 HydrophobicContact CB-CD1 3.38Å; A344-L353 HydrophobicContact CB-CD2 3.61Å; I349-L353 HydrophobicContact CG2-CD1 4.08Å; P350-L353 HydrophobicContact CB-CD1 4.29Å; P350-L353 WeakPolarHBondContact O-CB 3.18Å; P350-L353 PolarHBondContact O-N 3.24Å; E351-L353 VanDerWaalsContact C-N 3.3Å; L353-C356 HydrophobicContact CB-CB 3.81Å; L353-C356 HydrophobicContact CD1-CB 3.94Å
354	R	97.9	Very high	92	Very high	179 Å²	179	65.5 Å²	65.5	68%	0.675	33%	0.33	S	S	*	.	S	Bend	trans	-74.4	-44.1	-175.9	-179.9	60.5	175.8	136.8	-1.8	112	E340	E340-R354 PolarHBondContact OE1-N 3.31Å; E340-R354 WeakPolarHBondContact OE2-CB 3.17Å; E340-R354 PolarHBondContact OE2-N 2.86Å
355	N	97.7	Very high	89.4	Confident	45 Å²	45	68.8 Å²	68.8	24%	0.241	35%	0.352	C	S	.	.	S	Bend	trans	-131.2	44	-171	-61.5	-51.5	0	0	0	112	C124 N125 E340 V357	C124-N355 VanDerWaalsContact CA-O 3.26Å; C124-N355 WeakPolarHBondContact CA-O 3.46Å; N125-N355 PolarHBondContact N-O 3.47Å; N125-N355 VanDerWaalsContact O-CB 3.29Å; N125-N355 WeakPolarHBondContact O-CB 3.3Å; E340-N355 PolarHBondContact OE1-N 3.19Å; N355-V357 PolarHBondContact O-N 2.86Å
356	C	98.2	Very high	86.2	Confident	17 Å²	17	70.8 Å²	70.8	12%	0.115	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-71.8	125	173.8	175.2	0	0	0	0	110.6	V123 L353 N358 K359	V123-C356 CarbonylContact O-C 3.57Å; V123-C356 WeakPolarHBondContact O-CA 3.38Å; L353-C356 HydrophobicContact CB-CB 3.81Å; L353-C356 HydrophobicContact CD1-CB 3.94Å; C356-N358 PolarHBondContact SG-OD1 3.05Å; C356-K359 HydrophobicContact CB-CD 4.48Å; C356-K359 HydrophobicContact CB-CG 3.99Å; C356-K359 VanDerWaalsContact SG-CG 3.52Å
357	V	97.9	Very high	83.2	Confident	26 Å²	26	71.5 Å²	71.5	16%	0.158	38%	0.379	C	S	.	.	S	Bend	trans	-103.4	4.6	-170.8	-60.3	0	0	0	0	113.8	Y108 I113 V123 N125 N355	Y108-V357 HydrophobicContact CD1-CB 4.46Å; Y108-V357 HydrophobicContact CD1-CG1 4.19Å; Y108-V357 HydrophobicContact CD1-CG2 4.17Å; Y108-V357 HydrophobicContact CD2-CG2 4.23Å; Y108-V357 HydrophobicContact CE1-CB 4.32Å; Y108-V357 HydrophobicContact CE1-CG1 4.05Å; Y108-V357 HydrophobicContact CE1-CG2 4.48Å; Y108-V357 HydrophobicContact CG-CG2 4.04Å; I113-V357 HydrophobicContact CG2-CG2 4.37Å; V123-V357 HydrophobicContact CB-CG2 4.15Å; V123-V357 HydrophobicContact CG1-CG2 4.01Å; V123-V357 WeakPolarHBondContact O-CG2 3.41Å; V123-V357 PolarHBondContact O-N 2.88Å; N125-V357 HydrophobicContact CB-CG1 4.38Å; N355-V357 PolarHBondContact O-N 2.86Å
358	N	97.8	Very high	80.1	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	41%	0.412	C	S	.	.			trans	-137.4	26.6	-174	81.2	-37	0	0	0	113.1	I113 G117 I121 V123 C356 E360 F361 F362	I113-N358 HydrophobicContact CB-CB 3.86Å; I113-N358 HydrophobicContact CD1-CB 4.49Å; I113-N358 PolarHBondContact O-ND2 3.04Å; G117-N358 PolarHBondContact N-ND2 3.25Å; I121-N358 PolarHBondContact O-ND2 3.16Å; V123-N358 PolarHBondContact N-OD1 3.15Å; C356-N358 PolarHBondContact SG-OD1 3.05Å; N358-E360 PolarHBondContact O-N 2.96Å; N358-F361 HydrophobicContact CB-CD2 3.99Å; N358-F361 PolarHBondContact O-N 3.26Å; N358-F362 WeakPolarHBondContact O-CD2 3.45Å
359	K	94.9	Very high	77	Confident	95 Å²	95	77.7 Å²	77.7	41%	0.413	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-58.4	-34.9	-175.6	-67	-171.6	-179.8	-173.9	0	112.3	P350 C356 F361 F362	P350-K359 HydrophobicContact CB-CG 4.29Å; C356-K359 HydrophobicContact CB-CD 4.48Å; C356-K359 HydrophobicContact CB-CG 3.99Å; C356-K359 VanDerWaalsContact SG-CG 3.52Å; K359-F361 PolarHBondContact O-N 3.43Å; K359-F362 PolarHBondContact O-N 3.17Å
360	E	92.5	Very high	74	Confident	133 Å²	133	83.8 Å²	83.8	62%	0.621	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-67	-18.7	-178	63.2	-90.2	-147.5	0	0	114.2	N358	N358-E360 PolarHBondContact O-N 2.96Å
361	F	91.7	Very high	71.1	Confident	60 Å²	60	90.8 Å²	90.8	26%	0.263	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-95.2	-1.8	-177.3	-59	-63.6	0	0	0	113.6	I113 K114 G117 E118 N358 K359 V363	I113-F361 HydrophobicContact CD1-CE2 4.18Å; I113-F361 HydrophobicContact CG1-CE2 4.29Å; K114-F361 HydrophobicContact CB-CD1 4.18Å; K114-F361 HydrophobicContact CB-CD2 4.42Å; K114-F361 HydrophobicContact CB-CE1 4.14Å; K114-F361 HydrophobicContact CB-CE2 4.38Å; K114-F361 HydrophobicContact CB-CG 4.32Å; K114-F361 HydrophobicContact CB-CZ 4.24Å; K114-F361 HydrophobicContact CD-CD1 4.42Å; K114-F361 HydrophobicContact CD-CE1 4.1Å; K114-F361 HydrophobicContact CG-CD1 3.77Å; K114-F361 HydrophobicContact CG-CE1 3.86Å; K114-F361 HydrophobicContact CG-CG 4.29Å; K114-F361 HydrophobicContact CG-CZ 4.45Å; G117-F361 CarbonylContact C-O 3.16Å; E118-F361 PolarHBondContact N-O 2.87Å; N358-F361 HydrophobicContact CB-CD2 3.99Å; N358-F361 PolarHBondContact O-N 3.26Å; K359-F361 PolarHBondContact O-N 3.43Å; F361-V363 PolarHBondContact O-N 3.39Å
362	F	87.3	Confident	68.2	Low	49 Å²	49	90 Å²	90	22%	0.215	48%	0.48	C	S	.	.			trans	-69.3	116.6	174.1	-80.4	-101.3	0	0	0	109.8	A122 I349 P350 N358 K359 T364	A122-F362 HydrophobicContact CB-CE2 4.3Å; A122-F362 HydrophobicContact CB-CZ 3.75Å; I349-F362 HydrophobicContact CG2-CE1 4.41Å; I349-F362 HydrophobicContact CG2-CZ 4.34Å; P350-F362 HydrophobicContact CB-CE2 4.28Å; P350-F362 HydrophobicContact CB-CZ 4.3Å; P350-F362 HydrophobicContact CG-CD2 4.38Å; P350-F362 HydrophobicContact CG-CE2 4.37Å; P350-F362 HydrophobicContact CG-CZ 4.49Å; N358-F362 WeakPolarHBondContact O-CD2 3.45Å; K359-F362 PolarHBondContact O-N 3.17Å; F362-T364 PolarHBondContact O-N 3.11Å
363	V	69.8	Low	65.1	Low	95 Å²	95	97 Å²	97	58%	0.576	51%	0.507	S	S	*	.			trans	-69.4	99.6	174.8	-175.3	0	0	0	0	108.5	F361 S365	F361-V363 PolarHBondContact O-N 3.39Å; V363-S365 PolarHBondContact O-N 2.94Å
364	T	55	Low	62	Low	133 Å²	133	104.2 Å²	104.2	82%	0.816	54%	0.54	S	S	*	.			trans	-63.7	105.5	159.2	15	0	0	0	0	106.8	F362 A366	F362-T364 PolarHBondContact O-N 3.11Å; T364-A366 VanDerWaalsContact C-N 3.3Å; T364-A366 PolarHBondContact O-N 2.85Å
365	S	42.2	Very low	59	Low	70 Å²	70	100.5 Å²	100.5	49%	0.49	55%	0.548	S	S	.	.			trans	-57.4	100.8	163.1	10.9	0	0	0	0	106.7	Q24 V363	Q24-S365 VanDerWaalsContact CD-OG 3.29Å; Q24-S365 PolarHBondContact NE2-OG 2.8Å; Q24-S365 PolarHBondContact OE1-OG 3.12Å; V363-S365 PolarHBondContact O-N 2.94Å
366	A	29.8	Very low	55.9	Low	68 Å²	68	106 Å²	106	56%	0.562	58%	0.576	S	S	*	*			trans	-51.3	136	164.8	0	0	0	0	0	107.3	T364 W368	T364-A366 VanDerWaalsContact C-N 3.3Å; T364-A366 PolarHBondContact O-N 2.85Å; A366-W368 PolarHBondContact O-N 3Å
367	P	30.8	Very low	53	Low	108 Å²	108	113.4 Å²	113.4	70%	0.701	61%	0.608	S	S	*	*			trans	-61.9	116	-178	-13.8	26.5	0	0	0	108.2	S369	P367-S369 PolarHBondContact O-N 3.26Å
368	W	29.1	Very low	50.1	Low	255 Å²	255	117.1 Å²	117.1	97%	0.966	63%	0.633	S	S	*	*			trans	-72.6	75.7	161.2	-74.5	29.5	0	0	0	107	A366	A366-W368 PolarHBondContact O-N 3Å
369	S	28.3	Very low	47.3	Very low	84 Å²	84	125 Å²	125	59%	0.587	67%	0.67	S	S	*	*			trans	-134.2	132	166.8	54.8	0	0	0	0	106.4	P367	P367-S369 PolarHBondContact O-N 3.26Å
370	V	32.3	Very low	44.6	Very low	138 Å²	138	126.7 Å²	126.7	84%	0.836	68%	0.683	S	S	*	*			trans	86.2	60.1	-171.8	-154.8	0	0	0	0	114.3
371	I	33	Very low	42	Very low	164 Å²	164	127.7 Å²	127.7	84%	0.841	69%	0.692	S	S	*	*			trans	-101.4	116.8	137.6	-67.2	178	0	0	0	105.7	Q373	I371-Q373 PolarHBondContact O-N 2.86Å
372	D	33.1	Very low	39.3	Very low	115 Å²	115	128.2 Å²	128.2	62%	0.615	72%	0.715	S	S	*	*			trans	-51.3	122.9	-174.9	-150.6	-9.5	0	0	0	112	Q374	D372-Q374 PolarHBondContact O-N 3.43Å
373	Q	30.8	Very low	36.8	Very low	195 Å²	195	130.2 Å²	130.2	91%	0.911	74%	0.741	S	S	*	*			trans	-76.4	70.2	166.5	-78.9	-178.3	-22.6	0	0	108.6	I371	I371-Q373 PolarHBondContact O-N 2.86Å
374	Q	31.2	Very low	35.2	Very low	159 Å²	159	130.8 Å²	130.8	74%	0.743	74%	0.744	S	S	*	*			trans	-138.8	88.3	167.4	-72.4	-169.4	2.3	0	0	109.5	D372	D372-Q374 PolarHBondContact O-N 3.43Å
375	A	34.9	Very low	34.2	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	74%	0.744	S	S	*	*			trans	165.2	78.8	143.7	0	0	0	0	0	109.9
376	I	34.5	Very low	33.9	Very low	161 Å²	161	141.1 Å²	141.1	83%	0.826	76%	0.759	S	S	*	*			trans	-81.8	104.1	154.2	-61.5	170	0	0	0	105.6
377	H	37.2	Very low	34.3	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.796	77%	0.774	S	S	*	*			trans	-179.6	134.2	131.4	-113.6	-85.8	0	0	0	111.5
378	P	35.2	Very low	34.8	Very low	104 Å²	104	148.7 Å²	148.7	68%	0.675	78%	0.775	S	S	*	*			trans	-82.9	144.2	168.4	34.4	-29.7	0	0	0	109.5
379	E	39.4	Very low	35.6	Very low	165 Å²	165	142.6 Å²	142.6	77%	0.771	77%	0.768	S	S	*	*				162.9	131.6	124.1	-85.2	-159.6	171	0	0	113.2
380	L	39.3	Very low	36	Very low	131 Å²	131	141.9 Å²	141.9	69%	0.686	77%	0.774	S	S	*	*			trans	73.1	111.3	140.9	-67.9	160.7	0	0	0	121.4
381	N	38.3	Very low	36.5	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	77%	0.773	S	S	*	*			trans	71.4	111.1	133.2	-77.7	-10.1	0	0	0	121
382	G	34	Very low	36.8	Very low	72 Å²	72	141.3 Å²	141.3	74%	0.742	77%	0.771	S	S	*	*				109.4	106.6	118.1	0	0	0	0	0	117.4
383	A	34.4	Very low	37	Very low	91 Å²	91	138.9 Å²	138.9	75%	0.752	77%	0.773	S	S	*	*				41.3	126.4	129.3	0	0	0	0	0	117.5
384	T	36.2	Very low	37.4	Very low	107 Å²	107	136.4 Å²	136.4	66%	0.656	77%	0.771	S	S	*	*			cis	168.6	148.1	41.2	1	0	0	0	0	109.1
385	Y	34.7	Very low	37.5	Very low	204 Å²	204	132.9 Å²	132.9	80%	0.8	77%	0.769	S	S	*	*			trans	56	145.5	151.3	-62.7	-62.1	0	0	0	119.2
386	R	36.4	Very low	37.9	Very low	215 Å²	215	134.3 Å²	134.3	81%	0.811	77%	0.769	S	S	*	*			cis	-172.6	139	16.2	-121.9	175.3	-162.7	-163.7	4.3	108.5
387	Y	36.4	Very low	37.9	Very low	225 Å²	225	130.6 Å²	130.6	88%	0.882	77%	0.771	S	S	*	*			trans	37	136.9	147.7	-82.4	-91.9	0	0	0	125.7
388	P	43.1	Very low	37.9	Very low	110 Å²	110	126.3 Å²	126.3	71%	0.714	77%	0.774	S	S	*	*			trans	-99.9	-154.4	163.3	44.6	-34.2	0	0	0	110.2
389	P	45.4	Very low	38	Very low	128 Å²	128	129.6 Å²	129.6	83%	0.831	79%	0.785	S	S	*	*			cis	-139.2	-171	-10.8	38.4	-16.6	0	0	0	114.8
390	G	36.6	Very low	38.2	Very low	68 Å²	68	127.2 Å²	127.2	70%	0.701	78%	0.783	S	S	*	*			trans	148.8	145.2	163	0	0	0	0	0	111.7
391	I	41.6	Very low	38	Very low	158 Å²	158	125.6 Å²	125.6	81%	0.81	79%	0.789	S	S	*	*			cis	-175	140.9	17.1	-109	166.4	0	0	0	107.1
392	V	39.5	Very low	38.1	Very low	132 Å²	132	122.6 Å²	122.6	80%	0.8	79%	0.785	S	S	*	*			trans	59.7	136.9	142.1	-177.1	0	0	0	0	119.9
393	G	37.8	Very low	38.3	Very low	64 Å²	64	126.9 Å²	126.9	66%	0.66	79%	0.788	S	S	*	*			cis	169	-177.8	1.7	0	0	0	0	0	113.8
394	V	38.8	Very low	38.4	Very low	144 Å²	144	130.9 Å²	130.9	87%	0.873	79%	0.791	S	S	*	*			trans	84.2	102.3	148.8	-163.7	0	0	0	0	120
395	A	35	Very low	38.5	Very low	84 Å²	84	128.9 Å²	128.9	69%	0.694	79%	0.792	S	S	*	*			trans	-93.1	-171.9	143.2	0	0	0	0	0	108.4
396	P	41.9	Very low	38.8	Very low	131 Å²	131	127.3 Å²	127.3	85%	0.851	80%	0.796	S	S	*	*			cis	-143.3	-169.7	2.3	39.8	-17.7	0	0	0	114.6
397	G	35.8	Very low	39	Very low	83 Å²	83	124.4 Å²	124.4	86%	0.856	80%	0.795	S	S	*	*			trans	142.2	127.3	147.6	0	0	0	0	0	118.2
398	G	36.2	Very low	39.2	Very low	83 Å²	83	119.6 Å²	119.6	86%	0.856	79%	0.791	S	S	*	*			trans	133.7	86.9	149.2	0	0	0	0	0	118.5
399	L	37.4	Very low	39.1	Very low	173 Å²	173	118.1 Å²	118.1	91%	0.906	80%	0.796	S	S	*	*			trans	-87	-178	148.6	-74.9	167.1	0	0	0	108.7
400	P	42.9	Very low	38.5	Very low	114 Å²	114	115.6 Å²	115.6	74%	0.74	79%	0.793	S	S	*	*			cis	-143	-177.4	3.4	34	-10.2	0	0	0	117.3
401	A	36.2	Very low	38.8	Very low	98 Å²	98	120.1 Å²	120.1	81%	0.81	80%	0.799	S	S	*	*			trans	68.6	128.4	141.6	0	0	0	0	0	123.2
402	A	39.3	Very low	38.5	Very low	90 Å²	90	117.5 Å²	117.5	74%	0.744	79%	0.793	S	S	*	*				177.7	136.4	113.4	0	0	0	0	0	113.5
403	M	38.7	Very low	38.7	Very low	163 Å²	163	118.3 Å²	118.3	80%	0.803	80%	0.798	S	S	*	*			trans	49.1	144.4	137.3	-69.6	-172.5	128.6	0	0	120.1
404	E	36.8	Very low	38.8	Very low	174 Å²	174	120.3 Å²	120.3	81%	0.813	80%	0.797	S	S	*	*			cis	-175	158.5	19.1	-122.9	170.5	178.7	0	0	106.5
405	G	38.7	Very low	38.6	Very low	66 Å²	66	122.5 Å²	122.5	68%	0.68	80%	0.798	S	S	*	*			trans	158.8	73.5	162.5	0	0	0	0	0	120.4
406	I	41	Very low	38.8	Very low	171 Å²	171	125.8 Å²	125.8	88%	0.877	80%	0.803	S	S	*	*			trans	69.4	117.4	132.3	-56.2	161.3	0	0	0	120.1
407	I	40.1	Very low	38.6	Very low	153 Å²	153	127.3 Å²	127.3	79%	0.785	80%	0.804	S	S	*	*			trans	-101.2	158.6	159.3	-40.1	-177.7	0	0	0	108.3
408	P	39.9	Very low	39.1	Very low	125 Å²	125	128.8 Å²	128.8	81%	0.812	80%	0.798	S	S	*	*				-153.4	154.5	97.4	35.6	-15.7	0	0	0	117.5
409	G	42.7	Very low	39	Very low	79 Å²	79	131.7 Å²	131.7	81%	0.814	80%	0.799	S	S	*	*			trans	95.8	126.3	152	0	0	0	0	0	116.6
410	G	31.7	Very low	39.1	Very low	75 Å²	75	129.9 Å²	129.9	77%	0.773	80%	0.795	S	S	*	*			cis	114.2	92.7	7.7	0	0	0	0	0	111.7
411	I	42.2	Very low	38.8	Very low	162 Å²	162	128.5 Å²	128.5	83%	0.831	79%	0.793	S	S	*	*			trans	-152.2	131.8	151.2	-59.2	-170.8	0	0	0	109.2
412	P	36.8	Very low	38.8	Very low	104 Å²	104	133 Å²	133	68%	0.675	80%	0.797	S	S	*	*			trans	-86.2	143.4	176.5	34.7	-31.3	0	0	0	111.4
413	V	42.7	Very low	38.9	Very low	148 Å²	148	133.9 Å²	133.9	90%	0.897	80%	0.795	S	S	*	*			trans	-96.6	104.8	167.1	-178.9	0	0	0	0	108.2
414	T	39.9	Very low	38.9	Very low	107 Å²	107	131 Å²	131	66%	0.656	79%	0.792	S	S	*	*			trans	-81.2	139.1	176.5	40.4	0	0	0	0	111.3
415	H	34.1	Very low	39	Very low	189 Å²	189	132 Å²	132	88%	0.875	80%	0.796	S	S	*	*			trans	-66.1	124.6	166.3	-79.2	-80.3	0	0	0	110.3
416	N	39.2	Very low	39	Very low	153 Å²	153	133.6 Å²	133.6	82%	0.818	80%	0.803	S	S	*	*			trans	-126.6	108.5	163.3	-92	-12.5	0	0	0	109.3
417	L	38.6	Very low	39.1	Very low	163 Å²	163	131.5 Å²	131.5	85%	0.853	80%	0.8	S	S	*	*			trans	-76.6	134	162.2	-83.4	151	0	0	0	108.7
418	P	46.7	Very low	39.2	Very low	115 Å²	115	129.9 Å²	129.9	75%	0.747	80%	0.803	S	S	*	*			trans	-85	111.9	162.5	29.2	-22.5	0	0	0	109.5	V420	P418-V420 PolarHBondContact O-N 2.97Å
419	T	33.6	Very low	39.8	Very low	143 Å²	143	129.4 Å²	129.4	88%	0.877	80%	0.8	S	S	*	*			trans	-61.5	118.7	159	-15.9	0	0	0	0	108.4
420	V	38.6	Very low	39.7	Very low	135 Å²	135	133.3 Å²	133.3	82%	0.818	80%	0.802	S	S	*	*			trans	-127.3	121.3	162.1	-179.8	0	0	0	0	109.8	P418	P418-V420 PolarHBondContact O-N 2.97Å
421	A	37.8	Very low	40.2	Very low	85 Å²	85	138.3 Å²	138.3	70%	0.702	81%	0.805	S	S	*	*			trans	-41.3	135.5	-179.4	0	0	0	0	0	117
422	H	35.2	Very low	40.2	Very low	192 Å²	192	136.7 Å²	136.7	89%	0.889	81%	0.805	S	S	*	*			trans	-74.3	140.9	152.1	-80.5	-74.9	0	0	0	110.7
423	P	41.8	Very low	40.6	Very low	109 Å²	109	138.7 Å²	138.7	71%	0.708	82%	0.815	S	S	*	*			trans	-120.8	129.1	145.3	21.7	-3.7	0	0	0	112
424	S	39.9	Very low	40.4	Very low	103 Å²	103	141 Å²	141	72%	0.72	81%	0.813	S	S	*	*			trans	59	106.6	137.5	58.6	0	0	0	0	120.7
425	Q	37.5	Very low	40.6	Very low	196 Å²	196	145.1 Å²	145.1	92%	0.916	83%	0.825	S	S	*	*				37.2	115	120.6	-64.9	-176.7	-5.6	0	0	118.5
426	A	38.8	Very low	40.8	Very low	99 Å²	99	139.3 Å²	139.3	82%	0.818	82%	0.816	S	S	*	*			trans	-127.2	127.1	151.1	0	0	0	0	0	108.9
427	P	43.5	Very low	41	Very low	127 Å²	127	139.8 Å²	139.8	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-89.1	147.4	-179.3	33.8	-30.9	0	0	0	112.4
428	S	42.1	Very low	41.4	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.8	142.8	168.8	-75	0	0	0	0	112.5
429	P	52.3	Low	41.3	Very low	115 Å²	115	144.7 Å²	144.7	75%	0.747	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-90.2	122.2	170.6	11.2	6.3	0	0	0	113
430	N	41.2	Very low	42	Very low	160 Å²	160	145.5 Å²	145.5	86%	0.856	82%	0.816	S	S	*	*			trans	64.6	118	133.4	-69.8	-10.5	0	0	0	123
431	Q	41.3	Very low	42.4	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.3	156.7	152	-76.3	174.2	-37.3	0	0	112.9
432	P	42.2	Very low	43.1	Very low	128 Å²	128	147.9 Å²	147.9	83%	0.831	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-88.5	129.1	172.9	33.6	-28.7	0	0	0	111.8
433	T	45	Very low	43.8	Very low	145 Å²	145	145.7 Å²	145.7	89%	0.89	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-97.4	133.2	166.9	37.3	0	0	0	0	111.2
434	K	39.1	Very low	44.2	Very low	197 Å²	197	148.5 Å²	148.5	86%	0.857	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.3	134.8	173.6	-70.9	174.2	171.8	178.6	0	111.5
435	H	43.7	Very low	45	Very low	194 Å²	194	156.3 Å²	156.3	90%	0.898	84%	0.835	S	S	*	*			trans	177.1	117.4	143.5	-92.3	-58.8	0	0	0	104.1
436	G	38.1	Very low	45.3	Very low	67 Å²	67	154.3 Å²	154.3	69%	0.691	83%	0.831	S	S	*	*			cis	99.8	82.8	41	0	0	0	0	0	107.7
437	D	44.1	Very low	45.7	Very low	162 Å²	162	157.2 Å²	157.2	87%	0.866	83%	0.831	S	S	*	*			trans	-161.9	147.5	145.4	-111	-26.2	0	0	0	114.4
438	N	46.2	Very low	45.8	Very low	145 Å²	145	158.9 Å²	158.9	78%	0.775	83%	0.832	S	S	*	*			trans	-74.8	150.6	-164.3	-69	-56.1	0	0	0	115.4
439	R	45.5	Very low	46	Very low	236 Å²	236	161.2 Å²	161.2	89%	0.891	83%	0.832	S	S	*	*			trans	177.4	99.3	133.5	-100.3	170.4	175.8	172.8	-0.1	109
440	E	48.3	Very low	45.6	Very low	161 Å²	161	164.1 Å²	164.1	75%	0.752	84%	0.837	S	S	*	*				53.7	100.2	96.8	-72.5	-172.2	155.6	0	0	114.7
441	H	47.4	Very low	45.9	Very low	174 Å²	174	164.4 Å²	164.4	81%	0.806	84%	0.836	S	S	*	*				179.7	156	96.7	-95.3	-63.8	0	0	0	112.7
442	P	51.5	Low	46.3	Very low	96 Å²	96	163.2 Å²	163.2	62%	0.623	84%	0.835	S	S	*	*			trans	-114.5	174.6	-155.1	42.4	-32.9	0	0	0	115.7
443	N	50	Low	46.6	Very low	146 Å²	146	165.9 Å²	165.9	78%	0.781	84%	0.835	S	S	*	*			trans	67.9	144.7	162.9	-74.7	0.2	0	0	0	116.3
444	E	51.2	Low	46.7	Very low	168 Å²	168	167.7 Å²	167.7	79%	0.785	83%	0.831	S	S	*	*			cis	-165.2	155.4	35.2	-132.5	160.2	-154.1	0	0	109.6
445	Q	55.3	Low	47.4	Very low	266 Å²	266	165 Å²	165	100%	1.243	83%	0.828	S	S	*	*			trans	87.9	0	169.9	-64.4	-176.5	6.3	0	0	120.4

Retrieved 445 of 445 residues in 757.4 ms (Link to these results)

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