A0A090KMD4_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KMD4, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	41.9	Very low	240 Å²	240	148.2 Å²	148.2	100%	1.182	75%	0.747	S	S	*	*				0	100.2	0	-73.6	166.9	176.2	0	0	108.1
2	R	33.5	Very low	42	Very low	254 Å²	254	147 Å²	147	96%	0.958	74%	0.743	S	S	*	*			trans	-85.4	109.5	172.8	-102.5	178.7	173.9	164.2	-2.1	106.7	M4	R2-M4 PolarHBondContact O-N 3.18Å; R2-M4 VanDerWaalsContact O-N 3.12Å
3	V	34.8	Very low	41.7	Very low	140 Å²	140	144.4 Å²	144.4	85%	0.848	73%	0.731	S	S	*	*			trans	-70.9	104.7	172	178.9	0	0	0	0	106.9	A5	V3-A5 PolarHBondContact O-N 3.18Å
4	M	40	Very low	41.7	Very low	179 Å²	179	138.8 Å²	138.8	88%	0.882	71%	0.712	S	S	*	*			trans	-83.3	100.7	175.5	-151.4	167.2	68.4	0	0	106.5	R2	R2-M4 PolarHBondContact O-N 3.18Å; R2-M4 VanDerWaalsContact O-N 3.12Å
5	A	43.1	Very low	41.4	Very low	70 Å²	70	132.3 Å²	132.3	58%	0.579	69%	0.694	S	S	*	*			trans	-59.6	141.8	173.9	0	0	0	0	0	109.7	V3 R7	V3-A5 PolarHBondContact O-N 3.18Å; A5-R7 PolarHBondContact O-N 3.49Å
6	P	41.8	Very low	41.1	Very low	78 Å²	78	127.9 Å²	127.9	51%	0.506	68%	0.682	S	S	.	*			trans	-68.1	120.8	-175.7	-9.3	24.4	0	0	0	109.7	T8 L9	P6-T8 WeakPolarHBondContact CB-OG1 3.36Å; P6-T8 PolarHBondContact O-N 3.2Å; P6-L9 PolarHBondContact O-N 3.2Å
7	R	50	Low	40.9	Very low	220 Å²	220	128.3 Å²	128.3	83%	0.83	68%	0.683	S	S	*	*	H	α-helix	trans	-54.3	-17.1	173.9	-86.7	178	161.7	146.3	-6.1	113.7	A5	A5-R7 PolarHBondContact O-N 3.49Å
8	T	47.8	Very low	40.8	Very low	100 Å²	100	125.9 Å²	125.9	61%	0.613	69%	0.685	S	S	*	*	H	α-helix	trans	-72.4	-26	175.8	31.5	0	0	0	0	114.1	P6	P6-T8 WeakPolarHBondContact CB-OG1 3.36Å; P6-T8 PolarHBondContact O-N 3.2Å
9	L	42.1	Very low	40.6	Very low	111 Å²	111	126.9 Å²	126.9	58%	0.581	69%	0.689	S	S	*	*	H	α-helix	trans	-77.7	-28.9	179.6	-129.5	100.5	0	0	0	112.7	P6 L13	P6-L9 PolarHBondContact O-N 3.2Å; L9-L13 PolarHBondContact O-N 3.02Å
10	I	46	Very low	40.4	Very low	110 Å²	110	124.9 Å²	124.9	56%	0.564	68%	0.681	S	S	*	*	H	α-helix	trans	-73.3	-34.1	-179.3	-64.2	172.2	0	0	0	111	L13 S14	I10-L13 PolarHBondContact O-N 2.93Å; I10-S14 PolarHBondContact O-N 3.37Å; I10-S14 VanDerWaalsContact O-N 3.08Å; I10-S14 PolarHBondContact O-OG 2.73Å
11	L	46.9	Very low	40.4	Very low	128 Å²	128	127 Å²	127	67%	0.67	69%	0.686	S	S	*	*	H	α-helix	trans	-70.2	-35.5	177.1	-78.1	161.9	0	0	0	112.8	L13 S14 G15	L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.05Å; L11-S14 PolarHBondContact O-N 2.94Å; L11-G15 PolarHBondContact O-N 2.88Å
12	L	42.2	Very low	40.7	Very low	134 Å²	134	120.6 Å²	120.6	70%	0.702	66%	0.661	S	S	*	*	H	α-helix	trans	-67.6	-33	175.2	-76.6	164.4	0	0	0	112.6	A16	L12-A16 PolarHBondContact O-N 3.35Å
13	L	38.4	Very low	41.6	Very low	113 Å²	113	113.4 Å²	113.4	59%	0.592	63%	0.633	S	S	*	*	H	α-helix	trans	-75.3	-26.1	173.1	-75.9	160.6	0	0	0	112.7	L9 I10 L11 L17	L9-L13 PolarHBondContact O-N 3.02Å; I10-L13 PolarHBondContact O-N 2.93Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.05Å; L13-L17 WeakPolarHBondContact O-CD1 3.34Å; L13-L17 PolarHBondContact O-N 3.06Å
14	S	41.7	Very low	42.5	Very low	66 Å²	66	109 Å²	109	46%	0.462	61%	0.612	S	S	.	*	H	α-helix	trans	-75.6	-35.1	176.3	-46.9	0	0	0	0	112.1	I10 L11	I10-S14 PolarHBondContact O-N 3.37Å; I10-S14 VanDerWaalsContact O-N 3.08Å; I10-S14 PolarHBondContact O-OG 2.73Å; L11-S14 PolarHBondContact O-N 2.94Å
15	G	37.7	Very low	44.1	Very low	42 Å²	42	103.1 Å²	103.1	43%	0.433	59%	0.588	S	S	.	*	H	α-helix	trans	-72.1	-30.6	176.4	0	0	0	0	0	113.7	L11	L11-G15 PolarHBondContact O-N 2.88Å
16	A	36.2	Very low	46.3	Very low	61 Å²	61	103.4 Å²	103.4	50%	0.504	59%	0.585	S	S	.	*	H	α-helix	trans	-75.1	-27.3	175.3	0	0	0	0	0	113.1	L12 A18	L12-A16 PolarHBondContact O-N 3.35Å; A16-A18 VanDerWaalsContact C-N 3.35Å
17	L	38.2	Very low	48.9	Very low	135 Å²	135	101 Å²	101	71%	0.707	57%	0.567	S	S	*	*	H	α-helix	trans	-78.8	-16.1	176.9	-81.1	161.4	0	0	0	113.6	L13	L13-L17 WeakPolarHBondContact O-CD1 3.34Å; L13-L17 PolarHBondContact O-N 3.06Å
18	A	38.7	Very low	51.1	Low	86 Å²	86	91.7 Å²	91.7	71%	0.711	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.8	176.5	0	0	0	0	0	113.8	A16	A16-A18 VanDerWaalsContact C-N 3.35Å
19	L	36.5	Very low	53.5	Low	145 Å²	145	86.9 Å²	86.9	76%	0.759	51%	0.506	S	S	*	.	S	Bend	trans	-106.3	7.9	-177.6	-96.6	149.4	0	0	0	113.7
20	T	37	Very low	56.2	Low	86 Å²	86	84 Å²	84	53%	0.528	49%	0.487	S	S	.	.			trans	-125.9	59.8	169.3	63.9	0	0	0	0	109.3	T22	T20-T22 PolarHBondContact O-N 2.67Å
21	E	40.1	Very low	58.7	Low	168 Å²	168	79 Å²	79	79%	0.785	46%	0.462	S	S	*	.			trans	-62	85.9	134.3	-96.9	-175.6	164.2	0	0	104.8	W23	E21-W23 PolarHBondContact O-N 2.79Å
22	T	41	Very low	61.2	Low	107 Å²	107	76.9 Å²	76.9	66%	0.656	45%	0.447	S	S	*	.			trans	-51.7	112.9	160.7	46.1	0	0	0	0	104	T20 A24	T20-T22 PolarHBondContact O-N 2.67Å; T22-A24 PolarHBondContact O-N 2.63Å
23	W	53.3	Low	63.9	Low	103 Å²	103	70.9 Å²	70.9	39%	0.39	42%	0.415	S	S	.	.			trans	-61.6	73.9	165.2	-74.2	68.9	0	0	0	106.3	E21 C25 E236 E288	E21-W23 PolarHBondContact O-N 2.79Å; W23-C25 PolarHBondContact O-N 2.95Å; W23-C25 VanDerWaalsContact O-N 3.11Å; W23-E236 HydrophobicContact CH2-CG 4.49Å; W23-E288 HydrophobicContact CB-CG 4.13Å; W23-E288 HydrophobicContact CD2-CB 3.92Å; W23-E288 HydrophobicContact CD2-CG 4.15Å; W23-E288 HydrophobicContact CE3-CB 3.2Å; W23-E288 HydrophobicContact CE3-CG 3.58Å; W23-E288 HydrophobicContact CG-CG 4.44Å; W23-E288 HydrophobicContact CH2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.44Å; W23-E288 VanDerWaalsContact CZ3-CB 3.44Å; W23-E288 HydrophobicContact CZ3-CG 4.29Å
24	A	53.6	Low	66.8	Low	47 Å²	47	67.5 Å²	67.5	39%	0.388	40%	0.399	S	S	.	.			trans	-81.1	98.6	-178.8	0	0	0	0	0	102.7	T22 S26 P129	T22-A24 PolarHBondContact O-N 2.63Å; A24-S26 PolarHBondContact O-N 3.45Å; A24-P129 HydrophobicContact CB-CB 4.29Å; A24-P129 HydrophobicContact CB-CG 3.32Å
25	C	73.1	Confident	69.5	Low	56 Å²	56	64.4 Å²	64.4	38%	0.378	38%	0.378	S	S	.	.			trans	-47.8	100.2	-171.2	-54.3	0	0	0	0	110.3	W23 E288	W23-C25 PolarHBondContact O-N 2.95Å; W23-C25 VanDerWaalsContact O-N 3.11Å; C25-E288 PolarHBondContact SG-OE1 2.83Å
26	S	90.5	Very high	72.4	Confident	75 Å²	75	64.9 Å²	64.9	52%	0.524	37%	0.372	S	S	.	.			trans	-90.2	142.7	168.2	58.9	0	0	0	0	107.8	A24 L127	A24-S26 PolarHBondContact O-N 3.45Å; S26-L127 VanDerWaalsContact CA-O 3.23Å; S26-L127 WeakPolarHBondContact CA-O 3.49Å; S26-L127 WeakPolarHBondContact CB-O 3.43Å
27	H	95	Very high	75.3	Confident	28 Å²	28	62.8 Å²	62.8	13%	0.13	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.3	178	-67.6	-75.1	0	0	0	110.3	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.76Å; H27-D53 IonicContact CG-OD2 3.65Å; H27-D53 IonicContact ND1-OD1 2.66Å; H27-D53 IonicContact ND1-OD2 2.77Å; H27-D53 PolarHBondContact ND1-OD2 3.19Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.34Å; H27-L127 PolarHBondContact N-O 3.22Å; H27-L127 PolarHBondContact O-N 2.98Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.11Å
28	S	97.3	Very high	78.1	Confident	24 Å²	24	60 Å²	60	17%	0.168	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.2	179.1	68.6	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; S28-D53 PolarHBondContact N-OD1 2.86Å; S28-D53 PolarHBondContact O-N 3.19Å; S28-C125 WeakPolarHBondContact CA-O 3.33Å; S28-D126 WeakPolarHBondContact CB-OD1 3.18Å
29	M	98.6	Very high	80.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.3	166.7	-175.3	171.5	61.4	0	0	108	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.08Å; M29-Y51 WeakPolarHBondContact CA-O 3.32Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.39Å; M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; M29-C125 PolarHBondContact N-O 3.36Å; M29-C125 PolarHBondContact O-N 3.17Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.28Å; M29-W191 HydrophobicContact CE-CB 4.09Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.31Å; M29-L192 HydrophobicContact SD-CB 4.42Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.6	Very high	83.3	Confident	49 Å²	49	56 Å²	56	19%	0.185	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.8	-175.7	-57.2	-64.8	-178	78.9	3.3	110.4	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; R30-Y51 PolarHBondContact N-O 3.06Å; R30-Y51 PolarHBondContact O-N 3.21Å; R30-D126 IonicContact CZ-OD1 2.64Å; R30-D126 IonicContact NE-OD1 3.63Å; R30-D126 PolarHBondContact NE-OD1 2.82Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.14Å; R30-D126 PolarHBondContact NH2-OD1 2.62Å; R30-D126 IonicContact NH2-OD2 3.69Å; R30-D126 PolarHBondContact NH2-OD2 2.82Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.26Å; R30-Y137 PolarHBondContact NH2-OH 3.32Å
31	Y	98.8	Very high	86	Confident	6 Å²	6	61.7 Å²	61.7	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.5	169.9	-68.5	-90.4	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.08Å; Y31-Y33 HydrophobicContact CD1-CE1 4.3Å; Y31-Y33 HydrophobicContact CG-CE1 4.49Å; Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.19Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG1 3.99Å; Y31-M122 WeakPolarHBondContact O-CA 3.19Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.48Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.62Å; Y31-Y123 HydrophobicContact CD2-CE2 3.62Å; Y31-Y123 AromaticContact CD2-CZ 3.64Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.31Å; Y31-Y123 HydrophobicContact CE2-CE2 4.34Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.13Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 3.17Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.9	Very high	88.5	Confident	84 Å²	84	56.4 Å²	56.4	37%	0.368	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.9	177.6	-57.5	-93.8	0	0	0	109.1	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.45Å; F32-V49 PolarHBondContact O-N 2.91Å; F32-Y51 HydrophobicContact CD2-CD2 4.07Å; F32-Y51 HydrophobicContact CD2-CE2 4.5Å; F32-Y51 HydrophobicContact CE2-CD2 4.09Å; F32-R121 WeakPolarHBondContact CA-O 3.48Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 4.02Å
33	Y	98.8	Very high	91	Very high	8 Å²	8	55.7 Å²	55.7	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.7	177.5	-59	-12.4	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.3Å; Y31-Y33 HydrophobicContact CG-CE1 4.49Å; Y33-F46 HydrophobicContact CD1-CZ 4.27Å; Y33-F46 HydrophobicContact CD2-CE2 4.2Å; Y33-F46 AromaticContact CD2-CZ 3.95Å; Y33-F46 HydrophobicContact CD2-CZ 3.95Å; Y33-F46 HydrophobicContact CE2-CZ 4.37Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.86Å; Y33-F46 HydrophobicContact CG-CZ 3.86Å; Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.41Å; Y33-A48 HydrophobicContact CD1-CB 3.33Å; Y33-A48 HydrophobicContact CE1-CB 3.46Å; Y33-A48 VanDerWaalsContact CE1-CB 3.46Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; Y33-Y91 HydrophobicContact CE1-CD1 4.25Å; Y33-Y91 AromaticContact CE1-CE1 3.87Å; Y33-Y91 HydrophobicContact CE1-CE1 3.87Å; Y33-Y91 AromaticContact CZ-CE1 3.96Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.41Å; Y33-Q94 HydrophobicContact CD2-CG 3.61Å; Y33-Q94 HydrophobicContact CE2-CB 4.35Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; Y33-Q120 CarbonylContact O-C 3.56Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.44Å; Y33-R121 PolarHBondContact N-O 3.21Å; Y33-R121 PolarHBondContact O-N 2.84Å; Y33-Y123 HydrophobicContact CD2-CE1 4.13Å; Y33-Y123 HydrophobicContact CE1-CE1 4.04Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.52Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.94Å
34	T	98.9	Very high	93.1	Very high	41 Å²	41	52 Å²	52	25%	0.252	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.9	176.3	-57.3	0	0	0	0	109.4	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; T34-I47 PolarHBondContact N-O 2.83Å; T34-I47 PolarHBondContact O-N 2.81Å; T34-T118 HydrophobicContact CG2-CG2 4.02Å; T34-L119 WeakPolarHBondContact CA-O 3.43Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å
35	A	98.8	Very high	95.2	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.017	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122	173.5	0	0	0	0	0	109.9	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.47Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.19Å; A35-F46 HydrophobicContact CB-CD2 4.28Å; A35-D98 HydrophobicContact CB-CB 3.7Å; A35-L102 HydrophobicContact CB-CD1 3.91Å; A35-T118 WeakPolarHBondContact O-CA 3.19Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.26Å; A35-L119 PolarHBondContact O-N 2.84Å
36	V	98.6	Very high	96.5	Very high	51 Å²	51	51.9 Å²	51.9	31%	0.309	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.3	-178.3	-172.4	0	0	0	0	109.4	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.94Å; V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.47Å; V36-R45 PolarHBondContact N-O 2.75Å; V36-R45 PolarHBondContact O-N 2.79Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å
37	S	97.9	Very high	96.9	Very high	18 Å²	18	50.7 Å²	50.7	13%	0.126	28%	0.276	C	S	.	.			trans	-71.1	140.6	173.7	55.3	0	0	0	0	111.2	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.49Å; S37-S116 PolarHBondContact O-OG 3.07Å; S37-H117 PolarHBondContact N-O 3.25Å; S37-H117 WeakPolarHBondContact OG-CA 3.46Å; S37-H117 PolarHBondContact OG-N 3.21Å; S37-H117 PolarHBondContact OG-O 3.33Å
38	R	96.1	Very high	97	Very high	75 Å²	75	49.3 Å²	49.3	28%	0.283	27%	0.269	S	S	.	.			trans	-134.1	75.1	-176.8	53.6	174.9	176.3	-160.7	-11.4	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.87Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 VanDerWaalsContact CD-O 3.31Å; R38-R41 WeakPolarHBondContact CD-O 3.44Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 2.8Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 PolarHBondContact O-N 3.02Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.93Å; R38-E43 PolarHBondContact NH2-O 3.2Å; R38-D63 IonicContact CZ-OD1 2.81Å; R38-D63 IonicContact CZ-OD2 3.83Å; R38-D63 IonicContact NH1-OD1 3.35Å; R38-D63 PolarHBondContact NH1-OD1 3.19Å; R38-D63 IonicContact NH1-OD2 3.41Å; R38-D63 PolarHBondContact NH1-OD2 2.97Å; R38-D63 IonicContact NH2-OD1 3.57Å; R38-D63 PolarHBondContact NH2-OD1 2.89Å; R38-D63 IonicContact NH2-OD2 3.92Å
39	P	92.8	Very high	97.1	Very high	56 Å²	56	49.5 Å²	49.5	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	131	-177.6	-26.6	34.4	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.03Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; P39-G115 WeakPolarHBondContact CG-O 3.46Å
40	G	91.8	Very high	97.1	Very high	91 Å²	91	49.5 Å²	49.5	94%	0.938	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	0.9	-177.8	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.87Å
41	R	93.5	Very high	97.1	Very high	207 Å²	207	50.3 Å²	50.3	78%	0.781	27%	0.273	S	S	*	.	S	Bend	trans	-123.5	24.2	-179.8	-58.6	-174.7	-180	-171.9	0.1	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 VanDerWaalsContact CD-O 3.31Å; R38-R41 WeakPolarHBondContact CD-O 3.44Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 2.8Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 PolarHBondContact O-N 3.02Å; P39-R41 PolarHBondContact O-N 3.03Å
42	G	91.9	Very high	97.1	Very high	56 Å²	56	50 Å²	50	58%	0.577	27%	0.272	S	S	*	.	S	Bend	trans	94.6	-160.1	178.6	0	0	0	0	0	113.9
43	E	94.8	Very high	96.9	Very high	93 Å²	93	47.3 Å²	47.3	44%	0.435	26%	0.261	S	S	.	.	S	Bend	trans	-70.6	154.9	-177.6	-63.6	-55.4	159.3	0	0	112.8	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.93Å; R38-E43 PolarHBondContact NH2-O 3.2Å; E43-R45 PolarHBondContact O-N 2.95Å; E43-R99 IonicContact OE1-CZ 3.55Å; E43-R99 IonicContact OE1-NE 2.71Å; E43-R99 IonicContact OE1-NH1 3.52Å; E43-R99 IonicContact OE1-NH2 3.54Å; E43-R99 PolarHBondContact OE1-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.25Å; E43-R99 IonicContact OE2-NE 3.34Å; E43-R99 PolarHBondContact OE2-NE 2.88Å; E43-R99 IonicContact OE2-NH1 3.31Å; E43-R99 IonicContact OE2-NH2 2.88Å; E43-R99 PolarHBondContact OE2-NH2 3.32Å
44	P	97.3	Very high	96.7	Very high	26 Å²	26	50 Å²	50	17%	0.169	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-52	132.9	173.4	-25.5	34.7	0	0	0	111.8	V36 R99 L102	V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.47Å; P44-R99 HydrophobicContact CG-CB 4.33Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.4	Very high	96.6	Very high	96 Å²	96	49.2 Å²	49.2	36%	0.362	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.1	172.7	-176.8	-179.5	-177.9	-172.3	-2.4	108.4	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.47Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.19Å; V36-R45 PolarHBondContact N-O 2.75Å; V36-R45 PolarHBondContact O-N 2.79Å; E43-R45 PolarHBondContact O-N 2.95Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; R45-D61 IonicContact CZ-OD1 2.72Å; R45-D61 IonicContact CZ-OD2 3.21Å; R45-D61 IonicContact NE-OD1 3.46Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.57Å; R45-D61 PolarHBondContact NE-OD2 3.3Å; R45-D61 IonicContact NH2-OD1 2.75Å; R45-D61 IonicContact NH2-OD2 3.41Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; R45-S62 WeakPolarHBondContact CA-OG 3.18Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.78Å
46	F	98.8	Very high	96.5	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.4	177.2	175.5	-92.2	0	0	0	109.8	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.27Å; Y33-F46 HydrophobicContact CD2-CE2 4.2Å; Y33-F46 AromaticContact CD2-CZ 3.95Å; Y33-F46 HydrophobicContact CD2-CZ 3.95Å; Y33-F46 HydrophobicContact CE2-CZ 4.37Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.86Å; Y33-F46 HydrophobicContact CG-CZ 3.86Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.28Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.94Å; F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.77Å; F46-F60 HydrophobicContact CD1-CE1 3.77Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; F46-S62 PolarHBondContact N-OG 2.83Å; F46-S62 PolarHBondContact O-N 2.88Å; F46-S62 PolarHBondContact O-OG 2.03Å; F46-Y91 HydrophobicContact CE1-CD1 4.41Å; F46-Q94 HydrophobicContact CE2-CB 4.29Å; F46-Q94 HydrophobicContact CE2-CG 3.75Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.78Å; F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.84Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.62Å; F46-D98 VanDerWaalsContact CE2-OD2 3.28Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.36Å
47	I	98.8	Very high	96.5	Very high	50 Å²	50	49.1 Å²	49.1	26%	0.256	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.5	175.7	-55.7	175.4	0	0	0	107.8	Y33 T34 R45 F60	Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.41Å; T34-I47 PolarHBondContact N-O 2.83Å; T34-I47 PolarHBondContact O-N 2.81Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.11Å
48	A	98.8	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.3	171.7	0	0	0	0	0	110.1	F32 Y33 F46 Q59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.47Å; Y33-A48 HydrophobicContact CD1-CB 3.33Å; Y33-A48 HydrophobicContact CE1-CB 3.46Å; Y33-A48 VanDerWaalsContact CE1-CB 3.46Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.94Å; A48-Q59 CarbonylContact O-C 3.56Å; A48-Q59 WeakPolarHBondContact O-CA 3.49Å; A48-F60 HydrophobicContact CB-CB 4.27Å; A48-F60 PolarHBondContact N-O 2.92Å; A48-F60 PolarHBondContact O-N 2.98Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.69Å; A48-Y91 HydrophobicContact CB-CG 4.48Å
49	V	98.8	Very high	96.6	Very high	28 Å²	28	47.6 Å²	47.6	17%	0.17	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.6	171.4	-63.4	0	0	0	0	109.7	Y31 F32 Y51 V58 Q59	Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.19Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.45Å; F32-V49 PolarHBondContact O-N 2.91Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.42Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-V58 WeakPolarHBondContact CA-O 3.24Å; V49-Q59 HydrophobicContact CG1-CG 4.19Å
50	G	98.6	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.7	176.6	0	0	0	0	0	111.1	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; G50-Q56 WeakPolarHBondContact O-CA 3.31Å; G50-F57 WeakPolarHBondContact O-CD1 3.46Å; G50-F57 PolarHBondContact O-N 3.31Å; G50-V58 PolarHBondContact N-O 2.88Å; G50-V58 PolarHBondContact O-N 2.84Å
51	Y	98.5	Very high	97.2	Very high	65 Å²	65	42.3 Å²	42.3	26%	0.255	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.1	-179.4	-73.7	-102.1	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.32Å; R30-Y51 PolarHBondContact N-O 3.06Å; R30-Y51 PolarHBondContact O-N 3.21Å; F32-Y51 HydrophobicContact CD2-CD2 4.07Å; F32-Y51 HydrophobicContact CD2-CE2 4.5Å; F32-Y51 HydrophobicContact CE2-CD2 4.09Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.42Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 3.96Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.41Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.16Å; Y51-Q56 HydrophobicContact CE2-CB 4.17Å; Y51-Q56 HydrophobicContact CE2-CG 3.91Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 3.07Å
52	V	98	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.3	156.2	177.6	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; V52-D54 PolarHBondContact O-N 2.69Å; V52-T55 PolarHBondContact N-O 3.12Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.82Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.2	Very high	97.6	Very high	28 Å²	28	34.6 Å²	34.6	15%	0.15	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-124.2	-166.6	-52.3	-38.5	0	0	0	110.3	H27 S28	H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.76Å; H27-D53 IonicContact CG-OD2 3.65Å; H27-D53 IonicContact ND1-OD1 2.66Å; H27-D53 IonicContact ND1-OD2 2.77Å; H27-D53 PolarHBondContact ND1-OD2 3.19Å; S28-D53 PolarHBondContact N-OD1 2.86Å; S28-D53 PolarHBondContact O-N 3.19Å
54	D	94.9	Very high	97.7	Very high	65 Å²	65	31.8 Å²	31.8	35%	0.348	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	8.9	178.8	-58.1	-56.3	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.69Å; D54-Y233 HydrophobicContact CB-CE2 4.16Å; D54-P234 WeakPolarHBondContact OD2-CB 3.23Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 PolarHBondContact OD2-N 3.3Å; D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.66Å
55	T	95.8	Very high	97.7	Very high	24 Å²	24	36.1 Å²	36.1	15%	0.147	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.9	-177.5	-60.1	0	0	0	0	111.6	Y51 V52 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; V52-T55 PolarHBondContact N-O 3.12Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.82Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å; T55-Y233 VanDerWaalsContact OG1-OH 3.04Å
56	Q	97.1	Very high	97.6	Very high	50 Å²	50	34.7 Å²	34.7	23%	0.234	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.4	172.6	-165	179.8	-15.9	0	0	110.1	G50 Y51 V58 Q72	G50-Q56 WeakPolarHBondContact O-CA 3.31Å; Y51-Q56 HydrophobicContact CD1-CB 3.96Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.41Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.16Å; Y51-Q56 HydrophobicContact CE2-CB 4.17Å; Y51-Q56 HydrophobicContact CE2-CG 3.91Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 3.07Å; Q56-V58 PolarHBondContact NE2-O 3.32Å; Q56-Q72 HydrophobicContact CB-CB 4.49Å; Q56-Q72 HydrophobicContact CG-CB 4.14Å; Q56-Q72 HydrophobicContact CG-CG 4.33Å
57	F	97.9	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-17.8	-179.8	75.8	-89.7	0	0	0	114.4	M29 Y31 G50 V52 Q72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.39Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.46Å; G50-F57 PolarHBondContact O-N 3.31Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; F57-Q72 PolarHBondContact O-N 2.79Å; F57-A73 HydrophobicContact CB-CB 4.16Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 AromaticContact CD1-CH2 4Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.96Å; F57-W75 HydrophobicContact CD2-CH2 3.96Å; F57-W75 HydrophobicContact CD2-CZ3 4.28Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.23Å; F57-V76 HydrophobicContact CD2-CG2 4.07Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 2.94Å; F57-Y195 AromaticContact CE2-CE2 3.83Å; F57-Y195 HydrophobicContact CE2-CE2 3.83Å; F57-Y195 AromaticContact CE2-CZ 3.94Å; F57-Y195 HydrophobicContact CZ-CD2 4.4Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.2	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.1	178.8	64.2	0	0	0	0	111.5	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 3.99Å; V49-V58 WeakPolarHBondContact CA-O 3.24Å; G50-V58 PolarHBondContact N-O 2.88Å; G50-V58 PolarHBondContact O-N 2.84Å; Q56-V58 PolarHBondContact NE2-O 3.32Å; V58-E70 WeakPolarHBondContact CA-O 3.03Å; V58-W84 HydrophobicContact CG2-CZ3 3.99Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.36Å; V58-Y91 HydrophobicContact CG2-CE2 4.19Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.43Å
59	Q	98.1	Very high	97.3	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.5	171	-175	168.4	17.5	0	0	110.9	A48 V49 G69 E70 Q72	A48-Q59 CarbonylContact O-C 3.56Å; A48-Q59 WeakPolarHBondContact O-CA 3.49Å; V49-Q59 HydrophobicContact CG1-CG 4.19Å; Q59-G69 WeakPolarHBondContact O-CA 3.2Å; Q59-E70 PolarHBondContact N-O 3.04Å; Q59-E70 PolarHBondContact O-N 2.81Å; Q59-Q72 HydrophobicContact CB-CG 3.8Å
60	F	98.8	Very high	97.2	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.5	167.1	175	-81.8	0	0	0	108.9	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.77Å; F46-F60 HydrophobicContact CD1-CE1 3.77Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; I47-F60 WeakPolarHBondContact CA-O 3.11Å; A48-F60 HydrophobicContact CB-CB 4.27Å; A48-F60 PolarHBondContact N-O 2.92Å; A48-F60 PolarHBondContact O-N 2.98Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.35Å; F60-Y91 HydrophobicContact CB-CD1 4.48Å; F60-Y91 HydrophobicContact CB-CD2 3.61Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.86Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 4Å; F60-Y91 HydrophobicContact CD2-CG 4Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.82Å; F60-Y91 HydrophobicContact CG-CG 3.82Å; F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.06Å
61	D	98.6	Very high	97.2	Very high	33 Å²	33	46.2 Å²	46.2	18%	0.176	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.4	172.7	-170.2	-12.5	0	0	0	110.1	R45 D63 A64	R45-D61 IonicContact CZ-OD1 2.72Å; R45-D61 IonicContact CZ-OD2 3.21Å; R45-D61 IonicContact NE-OD1 3.46Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.57Å; R45-D61 PolarHBondContact NE-OD2 3.3Å; R45-D61 IonicContact NH2-OD1 2.75Å; R45-D61 IonicContact NH2-OD2 3.41Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; D61-D63 PolarHBondContact O-N 2.86Å; D61-D63 PolarHBondContact OD1-N 3.11Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.41Å; D61-A64 PolarHBondContact O-N 2.96Å
62	S	98.2	Very high	97.1	Very high	33 Å²	33	47 Å²	47	23%	0.231	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.6	178.1	67.9	0	0	0	0	113.6	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.18Å; F46-S62 PolarHBondContact N-OG 2.83Å; F46-S62 PolarHBondContact O-N 2.88Å; F46-S62 PolarHBondContact O-OG 2.03Å; S62-P67 WeakPolarHBondContact O-CG 3.41Å
63	D	97.3	Very high	97	Very high	68 Å²	68	47.2 Å²	47.2	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.9	-179.8	-78.3	4	0	0	0	113	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.81Å; R38-D63 IonicContact CZ-OD2 3.83Å; R38-D63 IonicContact NH1-OD1 3.35Å; R38-D63 PolarHBondContact NH1-OD1 3.19Å; R38-D63 IonicContact NH1-OD2 3.41Å; R38-D63 PolarHBondContact NH1-OD2 2.97Å; R38-D63 IonicContact NH2-OD1 3.57Å; R38-D63 PolarHBondContact NH2-OD1 2.89Å; R38-D63 IonicContact NH2-OD2 3.92Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.78Å; D61-D63 PolarHBondContact O-N 2.86Å; D61-D63 PolarHBondContact OD1-N 3.11Å
64	A	96.9	Very high	97	Very high	35 Å²	35	50.9 Å²	50.9	29%	0.289	29%	0.294	S	S	.	.	S	Bend	trans	-60.5	149.6	172.9	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.41Å; D61-A64 PolarHBondContact O-N 2.96Å; A64-S66 PolarHBondContact O-N 2.79Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å
65	A	96.1	Very high	97.1	Very high	116 Å²	116	48.5 Å²	48.5	96%	0.959	28%	0.28	S	S	*	.	S	Bend	trans	-58.9	-31.4	-179.7	0	0	0	0	0	113
66	S	95.4	Very high	97.1	Very high	67 Å²	67	47.4 Å²	47.4	47%	0.469	27%	0.273	S	S	.	.	S	Bend	trans	-134.5	85.8	173.3	178.8	0	0	0	0	108.9	A64 R68	A64-S66 PolarHBondContact O-N 2.79Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.97Å; S66-R68 PolarHBondContact OG-NE 2.86Å
67	P	96.6	Very high	97	Very high	32 Å²	32	50.8 Å²	50.8	21%	0.208	29%	0.289	C	S	.	.			trans	-62.2	112.4	-174	-25.2	35.7	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.41Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å; P67-K92 WeakPolarHBondContact O-CE 3.28Å; P67-K92 PolarHBondContact O-NZ 3.42Å
68	R	97.6	Very high	96.9	Very high	142 Å²	142	56.5 Å²	56.5	54%	0.536	32%	0.316	S	S	.	.			trans	-144.5	157.2	179.5	-63.9	-174.3	-175.8	-151.5	-0.8	109.8	F60 S66 T88	F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.35Å; S66-R68 PolarHBondContact O-N 2.97Å; S66-R68 PolarHBondContact OG-NE 2.86Å; R68-T88 HydrophobicContact CB-CG2 4.38Å; R68-T88 HydrophobicContact CG-CG2 4.28Å
69	G	97.1	Very high	96.8	Very high	7 Å²	7	57.1 Å²	57.1	7%	0.072	32%	0.319	C	S	.	.			trans	-69.7	127.3	168.6	0	0	0	0	0	109.2	Q59 W84 T88	Q59-G69 WeakPolarHBondContact O-CA 3.2Å; G69-W84 VanDerWaalsContact O-CE3 3.3Å; G69-T88 PolarHBondContact N-OG1 2.81Å
70	E	97.2	Very high	96.7	Very high	93 Å²	93	56 Å²	56	44%	0.435	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.1	-176.9	-66.1	179.4	166.4	0	0	109.9	V58 Q59	V58-E70 WeakPolarHBondContact CA-O 3.03Å; Q59-E70 PolarHBondContact N-O 3.04Å; Q59-E70 PolarHBondContact O-N 2.81Å
71	P	97.6	Very high	96.6	Very high	49 Å²	49	60.6 Å²	60.6	32%	0.318	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	139.7	173.5	28	-33	0	0	0	110.5	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.64Å; P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.73Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.22Å
72	Q	96.9	Very high	96.5	Very high	81 Å²	81	66.8 Å²	66.8	38%	0.379	38%	0.382	S	S	.	.			trans	-119.8	1.7	175.4	-59	-63.9	-50.2	0	0	112.2	Q56 F57 Q59	Q56-Q72 HydrophobicContact CB-CB 4.49Å; Q56-Q72 HydrophobicContact CG-CB 4.14Å; Q56-Q72 HydrophobicContact CG-CG 4.33Å; F57-Q72 PolarHBondContact O-N 2.79Å; Q59-Q72 HydrophobicContact CB-CG 3.8Å
73	A	95.6	Very high	96.4	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.033	37%	0.372	C	S	.	.	S	Bend	trans	-142.8	141.4	176.8	0	0	0	0	0	111.4	F57 W75 V76	F57-A73 HydrophobicContact CB-CB 4.16Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.06Å; A73-W75 PolarHBondContact O-N 3.01Å; A73-W75 VanDerWaalsContact O-N 3.15Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 3.31Å; A73-V76 VanDerWaalsContact O-N 3.15Å
74	P	95.8	Very high	96.5	Very high	105 Å²	105	64.1 Å²	64.1	68%	0.682	36%	0.362	S	S	*	.	H	α-helix	trans	-58	-34.1	-175.8	-27.6	35	0	0	0	114.6	V76 E77	P74-V76 PolarHBondContact O-N 2.75Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 2.88Å
75	W	95.6	Very high	96.5	Very high	16 Å²	16	66.9 Å²	66.9	6%	0.061	37%	0.371	C	S	.	.	H	α-helix	trans	-71.9	-12.8	-176.3	54.1	-104.8	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 AromaticContact CD1-CH2 4Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.96Å; F57-W75 HydrophobicContact CD2-CH2 3.96Å; F57-W75 HydrophobicContact CD2-CZ3 4.28Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.23Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.06Å; A73-W75 PolarHBondContact O-N 3.01Å; A73-W75 VanDerWaalsContact O-N 3.15Å; W75-Q78 WeakPolarHBondContact O-CG 3.45Å; W75-Q78 PolarHBondContact O-NE2 3.43Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CH2-CD1 4.46Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; W75-N198 HydrophobicContact CB-CB 4.49Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.42Å; W75-L203 HydrophobicContact CZ2-CD1 3.91Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.46Å
76	V	97	Very high	96.6	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-97.6	-16.2	174.6	79.1	0	0	0	0	112.3	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CD2-CG2 4.07Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 2.94Å; P71-V76 HydrophobicContact CB-CG1 3.64Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 3.31Å; A73-V76 VanDerWaalsContact O-N 3.15Å; P74-V76 PolarHBondContact O-N 2.75Å; V76-Q78 PolarHBondContact O-N 3.26Å; V76-E79 HydrophobicContact CG2-CG 4Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.32Å; V76-E79 PolarHBondContact O-N 2.78Å; V76-Y83 HydrophobicContact CG2-CE1 4.3Å; V76-W84 HydrophobicContact CG1-CH2 3.99Å; V76-W84 HydrophobicContact CG1-CZ2 4.09Å; V76-W84 HydrophobicContact CG2-CH2 4.15Å; V76-W84 HydrophobicContact CG2-CZ2 4.12Å; V76-W84 WeakPolarHBondContact O-CZ2 3.4Å; V76-Y195 HydrophobicContact CG2-CE1 4.27Å
77	E	95.3	Very high	96.7	Very high	122 Å²	122	63.5 Å²	63.5	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-26.3	179.1	-66.8	178.7	-172.7	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 2.88Å; E77-E79 PolarHBondContact O-N 3.44Å
78	Q	94.4	Very high	96.7	Very high	120 Å²	120	62.3 Å²	62.3	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.4	175.4	65.7	178.5	8.4	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.45Å; W75-Q78 PolarHBondContact O-NE2 3.43Å; V76-Q78 PolarHBondContact O-N 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.82Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å
79	E	96.5	Very high	96.8	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.056	31%	0.314	C	S	.	.	S	Bend	trans	-66.5	134.3	174.1	-66.3	-61.6	150.9	0	0	110.5	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 4Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.32Å; V76-E79 PolarHBondContact O-N 2.78Å; E77-E79 PolarHBondContact O-N 3.44Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.31Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 PolarHBondContact O-NE1 3Å; E79-W84 VanDerWaalsContact O-NE1 3.09Å; E79-R194 IonicContact OE1-CZ 3.51Å; E79-R194 VanDerWaalsContact OE1-CZ 3.26Å; E79-R194 IonicContact OE1-NE 3.32Å; E79-R194 PolarHBondContact OE1-NE 2.89Å; E79-R194 IonicContact OE1-NH2 3.53Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.43Å; E79-R194 IonicContact OE2-NE 3.84Å; E79-R194 IonicContact OE2-NH2 2.66Å; E79-R194 PolarHBondContact OE2-NH2 3.11Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å
80	G	95.4	Very high	96.8	Very high	38 Å²	38	63.4 Å²	63.4	39%	0.392	32%	0.324	S	S	.	.			trans	-69.3	169.4	-174.3	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.84Å; G80-Y83 WeakPolarHBondContact O-CB 3.41Å; G80-Y83 PolarHBondContact O-N 2.7Å; G80-W84 PolarHBondContact O-N 3.35Å
81	P	96.4	Very high	96.9	Very high	99 Å²	99	59 Å²	59	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-57.6	-34.5	-177.9	22.7	-33.6	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.01Å; P81-W84 PolarHBondContact O-N 3.11Å; P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 3Å
82	E	97.3	Very high	96.9	Very high	164 Å²	164	60.5 Å²	60.5	77%	0.766	31%	0.305	S	S	*	.	H	α-helix	trans	-60.7	-34.9	177.6	-62.9	-178	179.9	0	0	113.1	G80 R86	G80-E82 PolarHBondContact O-N 2.84Å; E82-R86 VanDerWaalsContact O-CB 3.22Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.96Å
83	Y	97.3	Very high	96.9	Very high	8 Å²	8	64.4 Å²	64.4	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-51.4	174.8	168.5	-91.8	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.3Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.31Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.41Å; G80-Y83 PolarHBondContact O-N 2.7Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.01Å; Y83-D85 PolarHBondContact O-N 3.45Å; Y83-R86 PolarHBondContact O-N 3.37Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.23Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.79Å; Y83-E87 WeakPolarHBondContact O-CG 3.17Å; Y83-E87 PolarHBondContact O-N 3.5Å; Y83-W191 AromaticContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CH2 3.48Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 AromaticContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CZ2 4.45Å; Y83-W191 AromaticContact CE2-CZ3 3.66Å; Y83-W191 HydrophobicContact CE2-CZ3 3.66Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.35Å; Y83-Y195 PolarHBondContact OH-OH 3.01Å
84	W	97.8	Very high	97.1	Very high	37 Å²	37	65.6 Å²	65.6	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-39.2	-177.9	-67.6	112.8	0	0	0	113	V58 G69 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 3.99Å; G69-W84 VanDerWaalsContact O-CE3 3.3Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.73Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.22Å; V76-W84 HydrophobicContact CG1-CH2 3.99Å; V76-W84 HydrophobicContact CG1-CZ2 4.09Å; V76-W84 HydrophobicContact CG2-CH2 4.15Å; V76-W84 HydrophobicContact CG2-CZ2 4.12Å; V76-W84 WeakPolarHBondContact O-CZ2 3.4Å; E79-W84 PolarHBondContact O-NE1 3Å; E79-W84 VanDerWaalsContact O-NE1 3.09Å; G80-W84 PolarHBondContact O-N 3.35Å; P81-W84 PolarHBondContact O-N 3.11Å; W84-T88 WeakPolarHBondContact O-CB 3.27Å; W84-T88 PolarHBondContact O-N 3.35Å; W84-T88 PolarHBondContact O-OG1 3.42Å
85	D	97.8	Very high	97.2	Very high	92 Å²	92	61.5 Å²	61.5	49%	0.492	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-46.2	174.2	-76.4	-23.1	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 3Å; Y83-D85 PolarHBondContact O-N 3.45Å; D85-T88 PolarHBondContact O-N 2.99Å; D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.43Å; D85-Q89 PolarHBondContact O-N 3.08Å
86	R	97.3	Very high	97.3	Very high	106 Å²	106	65.9 Å²	65.9	40%	0.4	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-46.5	178.4	-175.8	-179.9	65.4	-143.8	-5.6	112.2	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.22Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.96Å; Y83-R86 PolarHBondContact O-N 3.37Å; R86-Q89 PolarHBondContact O-N 3.44Å; R86-K90 WeakPolarHBondContact O-CG 3.34Å; R86-K90 PolarHBondContact O-N 3.37Å
87	E	97.3	Very high	97.4	Very high	7 Å²	7	69.4 Å²	69.4	3%	0.033	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-42.9	178.2	-66.1	-44.5	117.4	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.23Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.79Å; Y83-E87 WeakPolarHBondContact O-CG 3.17Å; Y83-E87 PolarHBondContact O-N 3.5Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.07Å; E87-K90 WeakPolarHBondContact O-CB 3.35Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.12Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 WeakPolarHBondContact OE2-CD 3.34Å; E87-K90 IonicContact OE2-NZ 3.44Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 3.42Å
88	T	98.3	Very high	97.5	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.043	31%	0.313	C	S	.	.	H	α-helix	trans	-55.9	-45.4	173.8	-64.6	0	0	0	0	111.9	R68 G69 W84 D85 K90 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.38Å; R68-T88 HydrophobicContact CG-CG2 4.28Å; G69-T88 PolarHBondContact N-OG1 2.81Å; W84-T88 WeakPolarHBondContact O-CB 3.27Å; W84-T88 PolarHBondContact O-N 3.35Å; W84-T88 PolarHBondContact O-OG1 3.42Å; D85-T88 PolarHBondContact O-N 2.99Å; T88-K90 VanDerWaalsContact C-N 3.35Å; T88-Y91 PolarHBondContact O-N 3.29Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 3.33Å
89	Q	98.3	Very high	97.7	Very high	105 Å²	105	61.4 Å²	61.4	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-33	177.9	-67.7	-57.7	-28.3	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.43Å; D85-Q89 PolarHBondContact O-N 3.08Å; R86-Q89 PolarHBondContact O-N 3.44Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.07Å; Q89-R93 WeakPolarHBondContact O-CB 3.48Å; Q89-R93 WeakPolarHBondContact O-CG 3.29Å; Q89-R93 PolarHBondContact O-N 2.97Å; Q89-R93 PolarHBondContact O-NE 3.21Å
90	K	97.5	Very high	97.8	Very high	66 Å²	66	64 Å²	64	29%	0.287	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-48.5	171.9	-73.7	172.1	179.3	172.9	0	111	R86 E87 T88 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.34Å; R86-K90 PolarHBondContact O-N 3.37Å; E87-K90 WeakPolarHBondContact O-CB 3.35Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.12Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 WeakPolarHBondContact OE2-CD 3.34Å; E87-K90 IonicContact OE2-NZ 3.44Å; T88-K90 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.35Å; K90-R93 PolarHBondContact O-N 2.99Å; K90-Q94 WeakPolarHBondContact O-CB 3.41Å; K90-Q94 PolarHBondContact O-N 3.06Å
91	Y	98.5	Very high	97.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.1	-44.2	178.1	-62	-47.6	0	0	0	112.2	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.25Å; Y33-Y91 AromaticContact CE1-CE1 3.87Å; Y33-Y91 HydrophobicContact CE1-CE1 3.87Å; Y33-Y91 AromaticContact CZ-CE1 3.96Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.41Å; F46-Y91 HydrophobicContact CE1-CD1 4.41Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.69Å; A48-Y91 HydrophobicContact CB-CG 4.48Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.36Å; V58-Y91 HydrophobicContact CG2-CE2 4.19Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.43Å; F60-Y91 HydrophobicContact CB-CD1 4.48Å; F60-Y91 HydrophobicContact CB-CD2 3.61Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.86Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 4Å; F60-Y91 HydrophobicContact CD2-CG 4Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.82Å; F60-Y91 HydrophobicContact CG-CG 3.82Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 3.42Å; T88-Y91 PolarHBondContact O-N 3.29Å; Y91-R93 PolarHBondContact O-N 3.45Å; Y91-Q94 PolarHBondContact O-N 3.21Å; Y91-A95 WeakPolarHBondContact O-CB 3.41Å; Y91-A95 PolarHBondContact O-N 3.49Å
92	K	98.3	Very high	98	Very high	82 Å²	82	59.5 Å²	59.5	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176.2	-73.8	179.1	178.8	177.1	0	112.7	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.06Å; P67-K92 WeakPolarHBondContact O-CE 3.28Å; P67-K92 PolarHBondContact O-NZ 3.42Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 3.33Å; K90-K92 PolarHBondContact O-N 3.35Å; K92-Q96 PolarHBondContact O-N 2.97Å
93	R	98.3	Very high	98	Very high	163 Å²	163	57.7 Å²	57.7	62%	0.615	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-42.7	174.9	-75.3	-173.6	-65.7	-179.7	0.3	111.7	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.48Å; Q89-R93 WeakPolarHBondContact O-CG 3.29Å; Q89-R93 PolarHBondContact O-N 2.97Å; Q89-R93 PolarHBondContact O-NE 3.21Å; K90-R93 PolarHBondContact O-N 2.99Å; Y91-R93 PolarHBondContact O-N 3.45Å; R93-A95 PolarHBondContact O-N 3.22Å; R93-Q96 PolarHBondContact O-N 2.94Å; R93-T97 PolarHBondContact O-N 3.44Å; R93-T97 PolarHBondContact O-OG1 2.94Å
94	Q	98.4	Very high	98	Very high	29 Å²	29	60.9 Å²	60.9	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-41.8	177.6	-172.7	67.2	56.9	0	0	111.9	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.61Å; Y33-Q94 HydrophobicContact CE2-CB 4.35Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CE2-CB 4.29Å; F46-Q94 HydrophobicContact CE2-CG 3.75Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.78Å; K90-Q94 WeakPolarHBondContact O-CB 3.41Å; K90-Q94 PolarHBondContact O-N 3.06Å; Y91-Q94 PolarHBondContact O-N 3.21Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.94Å; Q94-T97 CarbonylContact O-C 3.48Å; Q94-T97 WeakPolarHBondContact O-CB 3.46Å; Q94-T97 PolarHBondContact O-N 3Å; Q94-T97 VanDerWaalsContact O-N 3.08Å; Q94-D98 PolarHBondContact NE2-OD1 3.42Å; Q94-D98 PolarHBondContact O-N 3.33Å
95	A	98.4	Very high	98	Very high	18 Å²	18	59.5 Å²	59.5	15%	0.149	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-40	175.8	0	0	0	0	0	112.2	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.84Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.62Å; Y91-A95 WeakPolarHBondContact O-CB 3.41Å; Y91-A95 PolarHBondContact O-N 3.49Å; R93-A95 PolarHBondContact O-N 3.22Å; A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 PolarHBondContact O-N 2.96Å
96	Q	98.1	Very high	98	Very high	109 Å²	109	58.1 Å²	58.1	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-67.9	-41.6	174.4	-64.5	-55.3	-40.9	0	0	112.3	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.97Å; R93-Q96 PolarHBondContact O-N 2.94Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.94Å; Q96-R99 WeakPolarHBondContact O-CB 3.38Å; Q96-R99 PolarHBondContact O-N 3.34Å; Q96-V100 WeakPolarHBondContact O-CG2 3.5Å; Q96-V100 PolarHBondContact O-N 3.43Å; Q96-V100 VanDerWaalsContact O-N 3.17Å
97	T	98.1	Very high	98	Very high	74 Å²	74	55 Å²	55	45%	0.454	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-47.3	174.2	-60.8	0	0	0	0	111.1	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 3.44Å; R93-T97 PolarHBondContact O-OG1 2.94Å; Q94-T97 CarbonylContact O-C 3.48Å; Q94-T97 WeakPolarHBondContact O-CB 3.46Å; Q94-T97 PolarHBondContact O-N 3Å; Q94-T97 VanDerWaalsContact O-N 3.08Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 3.37Å; T97-V100 WeakPolarHBondContact O-CB 3.49Å; T97-V100 PolarHBondContact O-N 2.86Å; T97-V100 VanDerWaalsContact O-N 3.08Å; T97-S101 PolarHBondContact O-N 3.05Å; T97-S101 PolarHBondContact O-OG 3.28Å; T97-S101 VanDerWaalsContact O-OG 3.1Å
98	D	98.3	Very high	98.1	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.011	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-33.7	-177.6	-72.1	-2.4	0	0	0	111.9	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.7Å; F46-D98 VanDerWaalsContact CE2-OD2 3.28Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.36Å; Q94-D98 PolarHBondContact NE2-OD1 3.42Å; Q94-D98 PolarHBondContact O-N 3.33Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.93Å; D98-S101 PolarHBondContact O-N 2.84Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.36Å; D98-L102 PolarHBondContact O-N 2.92Å; D98-L119 HydrophobicContact CB-CD2 4.14Å
99	R	98	Very high	98.1	Very high	72 Å²	72	60.2 Å²	60.2	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-41.3	169.3	176.2	-170.6	174.9	-173.4	10	112.4	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.55Å; E43-R99 IonicContact OE1-NE 2.71Å; E43-R99 IonicContact OE1-NH1 3.52Å; E43-R99 IonicContact OE1-NH2 3.54Å; E43-R99 PolarHBondContact OE1-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.25Å; E43-R99 IonicContact OE2-NE 3.34Å; E43-R99 PolarHBondContact OE2-NE 2.88Å; E43-R99 IonicContact OE2-NH1 3.31Å; E43-R99 IonicContact OE2-NH2 2.88Å; E43-R99 PolarHBondContact OE2-NH2 3.32Å; P44-R99 HydrophobicContact CG-CB 4.33Å; P44-R99 HydrophobicContact CG-CG 4.15Å; A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 PolarHBondContact O-N 2.96Å; Q96-R99 WeakPolarHBondContact O-CB 3.38Å; Q96-R99 PolarHBondContact O-N 3.34Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 3.37Å; R99-R103 PolarHBondContact O-N 3.39Å; R99-R103 PolarHBondContact O-NE 3.48Å
100	V	97.9	Very high	98	Very high	65 Å²	65	62.5 Å²	62.5	39%	0.394	30%	0.302	S	S	.	.	H	α-helix	trans	-70.8	-42.6	175.7	175.9	0	0	0	0	110.2	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.5Å; Q96-V100 PolarHBondContact O-N 3.43Å; Q96-V100 VanDerWaalsContact O-N 3.17Å; T97-V100 WeakPolarHBondContact O-CB 3.49Å; T97-V100 PolarHBondContact O-N 2.86Å; T97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.93Å; V100-L102 PolarHBondContact O-N 3.47Å; V100-R103 PolarHBondContact O-N 2.91Å; V100-N104 PolarHBondContact O-N 3.32Å
101	S	98.3	Very high	98	Very high	36 Å²	36	62.1 Å²	62.1	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-59	-45.4	177.2	-62.8	0	0	0	0	112.1	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.05Å; T97-S101 PolarHBondContact O-OG 3.28Å; T97-S101 VanDerWaalsContact O-OG 3.1Å; D98-S101 PolarHBondContact O-N 2.84Å; S101-R103 VanDerWaalsContact C-N 3.3Å; S101-R103 PolarHBondContact O-N 3.48Å; S101-N104 PolarHBondContact O-N 2.94Å; S101-N104 VanDerWaalsContact O-N 3.14Å; S101-L105 WeakPolarHBondContact O-CB 3.43Å; S101-L105 WeakPolarHBondContact O-CD1 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.29Å; S101-L105 PolarHBondContact O-N 3.41Å
102	L	98.5	Very high	97.9	Very high	8 Å²	8	66 Å²	66	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-57.4	-41	175.8	-77.8	166.9	0	0	0	112.2	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.91Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.36Å; D98-L102 PolarHBondContact O-N 2.92Å; V100-L102 PolarHBondContact O-N 3.47Å; L102-R106 WeakPolarHBondContact O-CB 3.27Å; L102-R106 PolarHBondContact O-N 3.3Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	97.2	Very high	97.6	Very high	126 Å²	126	68.3 Å²	68.3	48%	0.475	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-42.4	175.6	-74.2	-176.1	-79	166.5	-6.9	112.3	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.39Å; R99-R103 PolarHBondContact O-NE 3.48Å; V100-R103 PolarHBondContact O-N 2.91Å; S101-R103 VanDerWaalsContact C-N 3.3Å; S101-R103 PolarHBondContact O-N 3.48Å; R103-G107 PolarHBondContact O-N 2.89Å
104	N	97.9	Very high	97.4	Very high	75 Å²	75	64.4 Å²	64.4	40%	0.401	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-46.5	177.9	-69.6	-20.6	0	0	0	111.7	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3.32Å; S101-N104 PolarHBondContact O-N 2.94Å; S101-N104 VanDerWaalsContact O-N 3.14Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.36Å; N104-G107 VanDerWaalsContact O-N 3.12Å; N104-Y108 HydrophobicContact CB-CE2 4.5Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 3.32Å
105	L	98.3	Very high	97.2	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-49	179.7	-72.1	164.1	0	0	0	110.8	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.43Å; S101-L105 WeakPolarHBondContact O-CD1 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.29Å; S101-L105 PolarHBondContact O-N 3.41Å; L105-G107 PolarHBondContact O-N 2.92Å; L105-Y108 PolarHBondContact O-N 2.94Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.29Å; L105-Y109 PolarHBondContact O-N 2.88Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å; L105-L119 HydrophobicContact CD1-CG 4.48Å; L105-Y142 HydrophobicContact CB-CD1 4.33Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 3.96Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.96Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.46Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.36Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.26Å
106	R	97.6	Very high	97.1	Very high	63 Å²	63	67 Å²	67	24%	0.238	37%	0.368	C	S	.	.	H	α-helix	trans	-52	-42.6	173.9	-173.9	-171.3	66.6	176.7	10.5	112	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.27Å; L102-R106 PolarHBondContact O-N 3.3Å; L102-R106 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 3.12Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.36Å; R106-Q111 PolarHBondContact O-N 2.7Å; R106-E113 IonicContact CZ-OE1 3.73Å; R106-E113 IonicContact NH1-OE1 3.43Å; R106-E113 PolarHBondContact NH1-OE1 3.42Å; R106-E113 IonicContact NH2-OE1 3.03Å; R106-E113 PolarHBondContact NH2-OE1 3.43Å
107	G	97.5	Very high	97.1	Very high	41 Å²	41	62.6 Å²	62.6	42%	0.423	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-46	175.5	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.89Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.36Å; N104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 2.92Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 2.91Å; G107-N110 PolarHBondContact O-N 3.03Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 2.98Å
108	Y	98.1	Very high	97.2	Very high	56 Å²	56	60.9 Å²	60.9	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-34.8	178.8	-62.8	-16.3	0	0	0	112.8	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.5Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 3.32Å; L105-Y108 PolarHBondContact O-N 2.94Å; Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.26Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 3.3Å
109	Y	98.1	Very high	97.2	Very high	67 Å²	67	61 Å²	61	26%	0.263	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2.9	178.3	-69.8	-72.8	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.29Å; L105-Y109 PolarHBondContact O-N 2.88Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 2.91Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.28Å; Y109-D161 PolarHBondContact OH-OD2 2.82Å; Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.36Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 HydrophobicContact CG-CB 4.5Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	97.1	Very high	97.2	Very high	153 Å²	153	61.3 Å²	61.3	82%	0.818	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.3	-177.1	-56.5	-58.5	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.12Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 3.03Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 2.98Å
111	Q	97.5	Very high	97.3	Very high	59 Å²	59	58.8 Å²	58.8	28%	0.276	33%	0.325	S	S	.	.			trans	-87.7	153.8	-176.9	-70.7	165.1	-35.8	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.36Å; R106-Q111 PolarHBondContact O-N 2.7Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Q111-H117 PolarHBondContact NE2-CE1 3.08Å; Q111-H117 PolarHBondContact OE1-CE1 3.42Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.27Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; Q111-D143 PolarHBondContact NE2-OD2 3.42Å
112	S	95.4	Very high	97.3	Very high	81 Å²	81	58.1 Å²	58.1	57%	0.566	32%	0.319	S	S	*	.			trans	-67.2	147.8	179.3	176.6	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.4Å; S112-A114 PolarHBondContact OG-N 3.46Å; S112-G115 PolarHBondContact O-N 3.29Å
113	E	92.8	Very high	97.3	Very high	130 Å²	130	58.7 Å²	58.7	61%	0.607	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.9	174.5	-55.1	-152.5	128.1	0	0	113.9	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; R106-E113 IonicContact CZ-OE1 3.73Å; R106-E113 IonicContact NH1-OE1 3.43Å; R106-E113 PolarHBondContact NH1-OE1 3.42Å; R106-E113 IonicContact NH2-OE1 3.03Å; R106-E113 PolarHBondContact NH2-OE1 3.43Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.4	Very high	97.4	Very high	82 Å²	82	52.7 Å²	52.7	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.4	179.1	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.4Å; S112-A114 PolarHBondContact OG-N 3.46Å
115	G	93.9	Very high	97.4	Very high	27 Å²	27	49.1 Å²	49.1	28%	0.278	28%	0.279	S	S	.	.	S	Bend	trans	-74.7	136.2	-179.7	0	0	0	0	0	112.5	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.46Å; S112-G115 PolarHBondContact O-N 3.29Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.34Å; G115-H117 VanDerWaalsContact O-CD2 3.28Å
116	S	97.4	Very high	97.4	Very high	74 Å²	74	50 Å²	50	52%	0.517	28%	0.283	S	S	.	.			trans	-84.2	132.3	165	-179.8	0	0	0	0	109.1	S37	S37-S116 WeakPolarHBondContact O-CB 3.49Å; S37-S116 PolarHBondContact O-OG 3.07Å
117	H	98.4	Very high	97.3	Very high	16 Å²	16	47.1 Å²	47.1	7%	0.074	27%	0.273	C	S	.	.			trans	-130.1	149.9	-177.9	-61.3	-76.4	0	0	0	111.4	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.25Å; S37-H117 WeakPolarHBondContact OG-CA 3.46Å; S37-H117 PolarHBondContact OG-N 3.21Å; S37-H117 PolarHBondContact OG-O 3.33Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; Q111-H117 PolarHBondContact NE2-CE1 3.08Å; Q111-H117 PolarHBondContact OE1-CE1 3.42Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.27Å; G115-H117 PolarHBondContact O-CD2 3.34Å; G115-H117 VanDerWaalsContact O-CD2 3.28Å; H117-Y142 HydrophobicContact CB-CE2 3.75Å; H117-Y142 WeakPolarHBondContact CB-OH 3.24Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.81Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.26Å; H117-D143 IonicContact CE1-OD2 3.95Å; H117-D143 IonicContact CG-OD1 3.05Å; H117-D143 IonicContact CG-OD2 3.36Å; H117-D143 IonicContact ND1-OD1 2.66Å; H117-D143 IonicContact ND1-OD2 3.7Å; H117-D143 PolarHBondContact ND1-OD2 3.39Å
118	T	98.8	Very high	97.2	Very high	39 Å²	39	45.3 Å²	45.3	24%	0.239	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.7	-175.4	-60.1	0	0	0	0	110.4	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.02Å; A35-T118 WeakPolarHBondContact O-CA 3.19Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; T118-Y142 WeakPolarHBondContact O-CA 2.99Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.49Å; T118-D143 PolarHBondContact N-OD1 2.85Å; T118-D143 PolarHBondContact O-N 3.35Å
119	L	98.9	Very high	96.7	Very high	4 Å²	4	47 Å²	47	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.1	170	175.6	62.6	0	0	0	108.5	T34 A35 D98 L102 L105 F140	T34-L119 WeakPolarHBondContact CA-O 3.43Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.26Å; A35-L119 PolarHBondContact O-N 2.84Å; D98-L119 HydrophobicContact CB-CD2 4.14Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å; L105-L119 HydrophobicContact CD1-CG 4.48Å; L119-F140 HydrophobicContact CD1-CD1 4.2Å
120	Q	98.9	Very high	96.3	Very high	78 Å²	78	48.5 Å²	48.5	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.4	176.9	-66.1	170.6	-81.4	0	0	110	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.56Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.44Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; Q120-F140 CarbonylContact O-C 3.55Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.05Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.28Å; Q120-A141 PolarHBondContact O-N 3.1Å
121	R	98.7	Very high	95.9	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.045	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.3	173.2	-176.4	-169.9	-177.1	-172	-5.7	109.6	F32 Y33 Y123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.48Å; Y33-R121 PolarHBondContact N-O 3.21Å; Y33-R121 PolarHBondContact O-N 2.84Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; R121-N138 PolarHBondContact NE-OD1 3.41Å; R121-N138 PolarHBondContact NH2-OD1 3.46Å; R121-Q139 WeakPolarHBondContact CA-O 3.37Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.75Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.32Å; R121-F140 VanDerWaalsContact CD-CE1 3.46Å; R121-F140 HydrophobicContact CG-CD1 3.88Å; R121-F140 HydrophobicContact CG-CD2 4.31Å; R121-F140 HydrophobicContact CG-CE1 3.54Å; R121-F140 HydrophobicContact CG-CE2 3.96Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.58Å; R121-F140 VanDerWaalsContact NE-CZ 3.31Å
122	M	98.7	Very high	95.8	Very high	22 Å²	22	47.4 Å²	47.4	11%	0.108	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.9	165.8	-175.7	-79	-76.7	0	0	108.8	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.19Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 4.02Å; M122-Y137 HydrophobicContact CE-CD1 4.11Å; M122-Y137 HydrophobicContact CE-CG 4.14Å; M122-Y137 HydrophobicContact SD-CG 4.4Å; M122-N138 WeakPolarHBondContact O-CA 3.19Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.32Å; M122-Q139 PolarHBondContact N-O 2.89Å; M122-Q139 PolarHBondContact O-N 3.42Å
123	Y	98.7	Very high	95.8	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.078	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156	171.6	73.7	-85.4	0	0	0	110.8	Y31 Y33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.48Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.62Å; Y31-Y123 HydrophobicContact CD2-CE2 3.62Å; Y31-Y123 AromaticContact CD2-CZ 3.64Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.31Å; Y31-Y123 HydrophobicContact CE2-CE2 4.34Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.13Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 3.17Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; Y33-Y123 HydrophobicContact CD2-CE1 4.13Å; Y33-Y123 HydrophobicContact CE1-CE1 4.04Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.52Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.94Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; Y123-Y137 WeakPolarHBondContact CA-O 3.23Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.4Å; Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.9Å
124	G	98.6	Very high	96	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-177	-174.4	0	0	0	0	0	113.7	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; G124-G136 WeakPolarHBondContact O-CA 3.36Å; G124-Y137 PolarHBondContact N-O 3.48Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.38Å; G124-L184 WeakPolarHBondContact O-CD2 3.44Å
125	C	98.5	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.5	-179.1	53.2	0	0	0	0	111	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.33Å; M29-C125 PolarHBondContact N-O 3.36Å; M29-C125 PolarHBondContact O-N 3.17Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.42Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.8Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3Å
126	D	97.9	Very high	96.3	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.134	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.5	171.8	-58.6	-11.3	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.34Å; S28-D126 WeakPolarHBondContact CB-OD1 3.18Å; R30-D126 IonicContact CZ-OD1 2.64Å; R30-D126 IonicContact NE-OD1 3.63Å; R30-D126 PolarHBondContact NE-OD1 2.82Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.14Å; R30-D126 PolarHBondContact NH2-OD1 2.62Å; R30-D126 IonicContact NH2-OD2 3.69Å; R30-D126 PolarHBondContact NH2-OD2 2.82Å; D126-L134 HydrophobicContact CB-CB 4.46Å; D126-L134 PolarHBondContact O-N 2.83Å; D126-R135 PolarHBondContact N-O 2.9Å; D126-R135 PolarHBondContact O-N 2.98Å; D126-Y137 VanDerWaalsContact CG-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.37Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 3.06Å
127	L	96.8	Very high	96.3	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	141	174.4	-56.2	-176.1	0	0	0	110.4	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.23Å; S26-L127 WeakPolarHBondContact CA-O 3.49Å; S26-L127 WeakPolarHBondContact CB-O 3.43Å; H27-L127 PolarHBondContact N-O 3.22Å; H27-L127 PolarHBondContact O-N 2.98Å; L127-R132 CarbonylContact C-O 3.57Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.48Å; L127-V189 HydrophobicContact CD1-CG1 4.33Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L127-L192 HydrophobicContact CB-CD2 4.44Å; L127-L192 HydrophobicContact CD1-CB 4.18Å; L127-L192 HydrophobicContact CD1-CD2 3.71Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.21Å; L127-R193 HydrophobicContact CD1-CG 3.91Å
128	G	93.4	Very high	96.3	Very high	4 Å²	4	42.3 Å²	42.3	4%	0.041	21%	0.21	C	C	.	.			trans	-77.6	177.2	170.9	0	0	0	0	0	111.8	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 2.99Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.24Å; G128-R132 PolarHBondContact N-O 3.28Å; G128-L134 VanDerWaalsContact N-CG 3.34Å
129	P	88.9	Confident	96.3	Very high	91 Å²	91	43.9 Å²	43.9	59%	0.591	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27	177.5	-19.3	28.7	0	0	0	113.3	A24 G131	A24-P129 HydrophobicContact CB-CB 4.29Å; A24-P129 HydrophobicContact CB-CG 3.32Å; P129-G131 PolarHBondContact O-N 3.38Å
130	D	89.2	Confident	96.3	Very high	99 Å²	99	44.5 Å²	44.5	53%	0.529	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.8	174.6	69.8	-13.8	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.99Å; D130-R132 PolarHBondContact O-N 2.64Å; D130-R132 WeakPolarHBondContact OD1-CB 3.37Å; D130-R132 PolarHBondContact OD1-N 2.82Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.48Å; D130-R132 IonicContact OD2-NE 3.91Å
131	G	89.6	Confident	96.3	Very high	18 Å²	18	41.6 Å²	41.6	19%	0.186	21%	0.207	C	C	.	.	S	Bend	trans	71.4	9.5	-178.2	0	0	0	0	0	114.1	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.24Å; P129-G131 PolarHBondContact O-N 3.38Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 3.09Å; G131-R193 PolarHBondContact O-NH2 2.94Å
132	R	94.1	Very high	96.3	Very high	170 Å²	170	41.5 Å²	41.5	64%	0.642	21%	0.207	S	C	*	.			trans	-88.2	154	179	-61.7	-173.5	-174.7	172.7	-2	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.57Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.48Å; G128-R132 PolarHBondContact N-O 3.28Å; D130-R132 PolarHBondContact O-N 2.64Å; D130-R132 WeakPolarHBondContact OD1-CB 3.37Å; D130-R132 PolarHBondContact OD1-N 2.82Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.48Å; D130-R132 IonicContact OD2-NE 3.91Å; R132-L134 PolarHBondContact O-N 2.63Å
133	L	96.8	Very high	96.3	Very high	50 Å²	50	43.5 Å²	43.5	26%	0.262	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	120.4	175.5	-177	72.7	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; L133-L154 HydrophobicContact CD2-CD1 4.25Å; L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.72Å; L133-V189 HydrophobicContact CB-CG2 4.09Å; L133-V189 HydrophobicContact CD1-CG2 4.13Å
134	L	96.1	Very high	96.3	Very high	113 Å²	113	45.3 Å²	45.3	59%	0.592	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	-47	168.6	-70.8	177.3	0	0	0	110.9	D126 G128 R132	D126-L134 HydrophobicContact CB-CB 4.46Å; D126-L134 PolarHBondContact O-N 2.83Å; G128-L134 VanDerWaalsContact N-CG 3.34Å; R132-L134 PolarHBondContact O-N 2.63Å
135	R	96.4	Very high	96.3	Very high	105 Å²	105	53 Å²	53	40%	0.396	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	143.5	-175.1	-168.1	160.7	175.2	-167.8	10	111.8	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.42Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; D126-R135 PolarHBondContact N-O 2.9Å; D126-R135 PolarHBondContact O-N 2.98Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; R135-Y137 HydrophobicContact CB-CE2 4.06Å; R135-Y137 VanDerWaalsContact CD-OH 3.29Å; R135-Y137 WeakPolarHBondContact CD-OH 3.41Å; R135-Y137 HydrophobicContact CG-CE1 4.03Å; R135-Y137 HydrophobicContact CG-CE2 3.88Å; R135-E152 IonicContact CZ-OE1 2.76Å; R135-E152 IonicContact NE-OE1 3.04Å; R135-E152 PolarHBondContact NE-OE1 3.39Å; R135-E152 IonicContact NH1-OE1 2.89Å; R135-E152 IonicContact NH2-OE1 3.67Å; R135-E152 PolarHBondContact NH2-OE1 2.87Å
136	G	97.9	Very high	96.3	Very high	5 Å²	5	58.9 Å²	58.9	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.7	171.5	0	0	0	0	0	111	G124	G124-G136 WeakPolarHBondContact O-CA 3.36Å
137	Y	97.8	Very high	96.3	Very high	29 Å²	29	58.1 Å²	58.1	11%	0.114	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.7	-177.7	-53.8	-94.1	0	0	0	110.4	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.26Å; R30-Y137 PolarHBondContact NH2-OH 3.32Å; M122-Y137 HydrophobicContact CE-CD1 4.11Å; M122-Y137 HydrophobicContact CE-CG 4.14Å; M122-Y137 HydrophobicContact SD-CG 4.4Å; Y123-Y137 WeakPolarHBondContact CA-O 3.23Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.4Å; G124-Y137 PolarHBondContact N-O 3.48Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.38Å; D126-Y137 VanDerWaalsContact CG-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.37Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 3.06Å; R135-Y137 HydrophobicContact CB-CE2 4.06Å; R135-Y137 VanDerWaalsContact CD-OH 3.29Å; R135-Y137 WeakPolarHBondContact CD-OH 3.41Å; R135-Y137 HydrophobicContact CG-CE1 4.03Å; R135-Y137 HydrophobicContact CG-CE2 3.88Å
138	N	98.6	Very high	96.4	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.011	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	99.4	163.6	-178.3	55.7	0	0	0	109	R121 M122 L150 W157	R121-N138 PolarHBondContact NE-OD1 3.41Å; R121-N138 PolarHBondContact NH2-OD1 3.46Å; M122-N138 WeakPolarHBondContact O-CA 3.19Å; N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.28Å; N138-L150 PolarHBondContact O-N 3.18Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.28Å
139	Q	98.6	Very high	96.7	Very high	71 Å²	71	59.4 Å²	59.4	33%	0.332	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.5	-174.3	64.3	-166.9	67.9	0	0	111.5	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.37Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.32Å; M122-Q139 PolarHBondContact N-O 2.89Å; M122-Q139 PolarHBondContact O-N 3.42Å; Q139-I148 WeakPolarHBondContact CA-O 3.42Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	F	98.8	Very high	97.2	Very high	18 Å²	18	55.8 Å²	55.8	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.4	-178.8	-66	-104.7	0	0	0	110.3	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.2Å; Q120-F140 CarbonylContact O-C 3.55Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.05Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.75Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.32Å; R121-F140 VanDerWaalsContact CD-CE1 3.46Å; R121-F140 HydrophobicContact CG-CD1 3.88Å; R121-F140 HydrophobicContact CG-CD2 4.31Å; R121-F140 HydrophobicContact CG-CE1 3.54Å; R121-F140 HydrophobicContact CG-CE2 3.96Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.58Å; R121-F140 VanDerWaalsContact NE-CZ 3.31Å; F140-Y147 HydrophobicContact CB-CD1 4.44Å; F140-Y147 WeakPolarHBondContact O-CB 3.35Å; F140-Y147 PolarHBondContact O-N 3.47Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.09Å; F140-I148 HydrophobicContact CG-CG2 4.44Å; F140-I148 PolarHBondContact N-O 2.62Å; F140-I148 PolarHBondContact O-N 2.98Å; F140-W171 AromaticContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CZ3 4.24Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.49Å; F140-W171 AromaticContact CE2-CZ3 3.97Å; F140-W171 HydrophobicContact CE2-CZ3 3.97Å; F140-W171 AromaticContact CZ-CH2 3.79Å; F140-W171 HydrophobicContact CZ-CH2 3.79Å; F140-W171 HydrophobicContact CZ-CZ2 4.49Å
141	A	98.9	Very high	97.6	Very high	16 Å²	16	53.2 Å²	53.2	13%	0.132	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145	171.2	0	0	0	0	0	110.1	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.28Å; Q120-A141 PolarHBondContact O-N 3.1Å; A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.11Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	58.9 Å²	58.9	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.3	177.1	-175.4	-121.5	0	0	0	109.8	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.33Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 3.96Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.96Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.46Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; H117-Y142 HydrophobicContact CB-CE2 3.75Å; H117-Y142 WeakPolarHBondContact CB-OH 3.24Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.81Å; T118-Y142 WeakPolarHBondContact O-CA 2.99Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.49Å; Y142-G144 PolarHBondContact O-N 3.36Å; Y142-K145 PolarHBondContact N-O 2.92Å; Y142-K145 PolarHBondContact O-N 3.03Å
143	D	98.4	Very high	98.1	Very high	63 Å²	63	54.5 Å²	54.5	34%	0.337	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.8	-174.3	-64.9	-21.6	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.42Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.26Å; H117-D143 IonicContact CE1-OD2 3.95Å; H117-D143 IonicContact CG-OD1 3.05Å; H117-D143 IonicContact CG-OD2 3.36Å; H117-D143 IonicContact ND1-OD1 2.66Å; H117-D143 IonicContact ND1-OD2 3.7Å; H117-D143 PolarHBondContact ND1-OD2 3.39Å; T118-D143 PolarHBondContact N-OD1 2.85Å; T118-D143 PolarHBondContact O-N 3.35Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.3Å
144	G	97.6	Very high	98.2	Very high	59 Å²	59	52.5 Å²	52.5	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	6.8	177.7	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 3.36Å
145	K	98.6	Very high	98.3	Very high	161 Å²	161	54.9 Å²	54.9	70%	0.7	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.2	177.3	-62.9	179.6	-177.9	177.6	0	110.9	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.11Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å; Y142-K145 PolarHBondContact N-O 2.92Å; Y142-K145 PolarHBondContact O-N 3.03Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.3Å; K145-Y147 PolarHBondContact O-N 3.32Å
146	D	98.8	Very high	98.3	Very high	123 Å²	123	51.8 Å²	51.8	66%	0.658	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	135.1	173.9	-69	-34.4	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.27Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	52 Å²	52	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-63.1	-179.3	179	-108.1	0	0	0	110.7	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.36Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.26Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; F140-Y147 HydrophobicContact CB-CD1 4.44Å; F140-Y147 WeakPolarHBondContact O-CB 3.35Å; F140-Y147 PolarHBondContact O-N 3.47Å; K145-Y147 PolarHBondContact O-N 3.32Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.64Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 3.41Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 WeakPolarHBondContact OH-CB 3.49Å; Y147-T167 PolarHBondContact OH-OG1 3.3Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.8	178.6	-161.2	173.5	0	0	0	110.7	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.42Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.09Å; F140-I148 HydrophobicContact CG-CG2 4.44Å; F140-I148 PolarHBondContact N-O 2.62Å; F140-I148 PolarHBondContact O-N 2.98Å; I148-W157 HydrophobicContact CD1-CB 4.17Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.14Å; I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.46Å; I148-T167 HydrophobicContact CD1-CG2 4.1Å; I148-Q168 HydrophobicContact CD1-CB 3.89Å; I148-W171 HydrophobicContact CD1-CE3 4.16Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CH2 4.02Å; I148-W171 HydrophobicContact CG2-CZ3 3.7Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	55.3 Å²	55.3	26%	0.256	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.4	179.1	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.14Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.03Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.3	167.4	-175.7	67.4	0	0	0	108.3	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.28Å; N138-L150 PolarHBondContact O-N 3.18Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.83Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4.09Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.25Å; L150-A177 HydrophobicContact CD1-CB 4.05Å; L150-R180 HydrophobicContact CD2-CB 4.01Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	56.6 Å²	56.6	24%	0.241	31%	0.314	C	S	.	.			trans	-72.6	164.1	-179.8	-67	-27.5	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.27Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-L154 WeakPolarHBondContact O-CA 3.28Å; N151-L154 PolarHBondContact O-N 2.93Å; N151-S156 WeakPolarHBondContact CB-O 3.33Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 3.19Å; N151-S156 PolarHBondContact ND2-OG 2.86Å; N151-T158 PolarHBondContact ND2-OG1 2.92Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-OG1 2.94Å
152	E	97.3	Very high	98.4	Very high	138 Å²	138	64.2 Å²	64.2	65%	0.645	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.9	-179	-66.9	-179.6	-177.9	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 2.76Å; R135-E152 IonicContact NE-OE1 3.04Å; R135-E152 PolarHBondContact NE-OE1 3.39Å; R135-E152 IonicContact NH1-OE1 2.89Å; R135-E152 IonicContact NH2-OE1 3.67Å; R135-E152 PolarHBondContact NH2-OE1 2.87Å; E152-L154 PolarHBondContact O-N 2.88Å
153	D	97.4	Very high	98.4	Very high	78 Å²	78	64 Å²	64	42%	0.417	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.6	173.4	70.6	3.3	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.27Å; N151-D153 VanDerWaalsContact O-N 3.12Å; D153-R155 WeakPolarHBondContact O-CG 3.34Å; D153-R155 PolarHBondContact O-N 3.12Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.82Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.13Å; D153-S156 PolarHBondContact OD1-OG 3.12Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 3.22Å
154	L	98.1	Very high	98.4	Very high	8 Å²	8	61 Å²	61	4%	0.042	33%	0.329	C	S	.	.	S	Bend	trans	54	25.3	-175.3	-53.6	-178.5	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.25Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.83Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 WeakPolarHBondContact O-CA 3.28Å; N151-L154 PolarHBondContact O-N 2.93Å; E152-L154 PolarHBondContact O-N 2.88Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.19Å
155	R	97.8	Very high	98.4	Very high	163 Å²	163	62 Å²	62	62%	0.615	32%	0.318	S	S	*	.	S	Bend	trans	-132.2	-33	-173.5	-71.3	169.3	-176.2	-100.7	13.3	112.6	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.34Å; D153-R155 PolarHBondContact O-N 3.12Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.82Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å; R155-R181 VanDerWaalsContact CZ-NH1 3.27Å
156	S	98.1	Very high	98.4	Very high	39 Å²	39	57.1 Å²	57.1	27%	0.273	30%	0.299	S	S	.	.			trans	-113.6	162.9	-177.6	63.7	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.33Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 3.19Å; N151-S156 PolarHBondContact ND2-OG 2.86Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.13Å; D153-S156 PolarHBondContact OD1-OG 3.12Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 3.22Å
157	W	98.8	Very high	98.4	Very high	10 Å²	10	52 Å²	52	4%	0.038	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.1	-178.7	-59.8	90.6	0	0	0	110.9	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.28Å; I148-W157 HydrophobicContact CD1-CB 4.17Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.14Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.14Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4.09Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.25Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 3.08Å; W157-W171 AromaticContact CD2-CE3 3.97Å; W157-W171 HydrophobicContact CD2-CE3 3.97Å; W157-W171 HydrophobicContact CD2-CZ3 4.49Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.83Å; W157-W171 HydrophobicContact CE3-CE3 3.83Å; W157-W171 AromaticContact CE3-CZ3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 3.88Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 VanDerWaalsContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.1Å; W157-W171 AromaticContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CE3 3.57Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; W157-E176 HydrophobicContact CZ2-CB 4.22Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; W157-R180 HydrophobicContact CH2-CG 4.33Å
158	T	98.7	Very high	98.4	Very high	77 Å²	77	53.6 Å²	53.6	47%	0.472	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.5	166.8	-65.8	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.46Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.03Å; N151-T158 PolarHBondContact ND2-OG1 2.92Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-OG1 2.94Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	60.8 Å²	60.8	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.8	175.8	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.6	Very high	98.4	Very high	60 Å²	60	64.6 Å²	64.6	50%	0.496	32%	0.318	S	S	.	.	S	Bend	trans	-74.4	-31.4	-176.4	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.27Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.64Å
161	D	98.4	Very high	98.3	Very high	57 Å²	57	66.6 Å²	66.6	31%	0.305	32%	0.324	S	S	.	.	S	Bend	trans	-150.8	-174.9	-177.9	68.4	28.5	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.28Å; Y109-D161 PolarHBondContact OH-OD2 2.82Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.86Å; D161-A163 WeakPolarHBondContact OD1-CA 3.25Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.02Å; D161-A164 PolarHBondContact O-N 3.41Å; D161-A164 PolarHBondContact OD1-N 2.85Å; D161-Q165 WeakPolarHBondContact O-CG 3.42Å; D161-Q165 PolarHBondContact O-N 2.72Å
162	K	98.4	Very high	98.3	Very high	175 Å²	175	68.9 Å²	68.9	76%	0.761	33%	0.333	S	S	*	.	H	α-helix	trans	-64.1	-30.8	-179.6	-67.2	-177.1	-178.9	177.2	0	113.6
163	A	98.2	Very high	98.4	Very high	8 Å²	8	66.5 Å²	66.5	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-72.4	-43.6	176.4	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.36Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 HydrophobicContact CG-CB 4.5Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 3.41Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.86Å; D161-A163 WeakPolarHBondContact OD1-CA 3.25Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.02Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.86Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.28Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-34.7	174.2	0	0	0	0	0	113.4	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.41Å; D161-A164 PolarHBondContact OD1-N 2.85Å; A164-I166 PolarHBondContact O-N 3.04Å; A164-T167 WeakPolarHBondContact O-CB 3.48Å; A164-T167 PolarHBondContact O-N 2.87Å; A164-Q168 PolarHBondContact O-N 2.87Å
165	Q	98.8	Very high	98.4	Very high	78 Å²	78	72.6 Å²	72.6	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-27.7	173.4	-73.2	175	8.5	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.42Å; D161-Q165 PolarHBondContact O-N 2.72Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.86Å; Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 2.87Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.5	Very high	98.4	Very high	59 Å²	59	66.9 Å²	66.9	30%	0.303	35%	0.346	S	S	.	.	H	α-helix	trans	-66.9	-45.2	174.3	-57.8	168.9	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.26Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.28Å; A164-I166 PolarHBondContact O-N 3.04Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å; I166-K170 PolarHBondContact O-N 3.12Å
167	T	98.5	Very high	98.4	Very high	17 Å²	17	65.4 Å²	65.4	10%	0.104	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-44.9	174.8	-69.9	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 WeakPolarHBondContact OH-CB 3.49Å; Y147-T167 PolarHBondContact OH-OG1 3.3Å; I148-T167 HydrophobicContact CD1-CG2 4.1Å; A164-T167 WeakPolarHBondContact O-CB 3.48Å; A164-T167 PolarHBondContact O-N 2.87Å; T167-R169 PolarHBondContact O-N 2.72Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 3.27Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.19Å; T167-W171 HydrophobicContact CG2-CZ2 3.8Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 WeakPolarHBondContact O-CB 3.47Å; T167-W171 PolarHBondContact O-N 2.85Å
168	Q	98.7	Very high	98.4	Very high	41 Å²	41	70.3 Å²	70.3	19%	0.192	36%	0.36	C	S	.	.	H	α-helix	trans	-51.9	-53.6	178	177.2	173.9	14.3	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.89Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 3.08Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 2.87Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.91Å; Q168-W171 PolarHBondContact O-N 2.94Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.32Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 3.43Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.34Å
169	R	98.7	Very high	98.3	Very high	155 Å²	155	72.4 Å²	72.4	59%	0.585	36%	0.364	S	S	*	.	H	α-helix	trans	-59.6	-39.3	179.8	-68	172	-164.8	147.9	8.4	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 2.87Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 2.72Å; R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 2.66Å
170	K	98.3	Very high	98.3	Very high	112 Å²	112	74.5 Å²	74.5	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-44	177	-72.9	178.6	176.6	-174.7	0	111.4	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.3Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å; I166-K170 PolarHBondContact O-N 3.12Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 3.27Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.91Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.49Å
171	W	98.4	Very high	98.3	Very high	55 Å²	55	74.9 Å²	74.9	21%	0.208	36%	0.356	C	S	.	.	H	α-helix	trans	-72	-35.7	-178.9	-75.7	6.6	0	0	0	112.9	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CZ3 4.24Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.49Å; F140-W171 AromaticContact CE2-CZ3 3.97Å; F140-W171 HydrophobicContact CE2-CZ3 3.97Å; F140-W171 AromaticContact CZ-CH2 3.79Å; F140-W171 HydrophobicContact CZ-CH2 3.79Å; F140-W171 HydrophobicContact CZ-CZ2 4.49Å; I148-W171 HydrophobicContact CD1-CE3 4.16Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CH2 4.02Å; I148-W171 HydrophobicContact CG2-CZ3 3.7Å; W157-W171 AromaticContact CD2-CE3 3.97Å; W157-W171 HydrophobicContact CD2-CE3 3.97Å; W157-W171 HydrophobicContact CD2-CZ3 4.49Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.83Å; W157-W171 HydrophobicContact CE3-CE3 3.83Å; W157-W171 AromaticContact CE3-CZ3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 3.88Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 VanDerWaalsContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.1Å; W157-W171 AromaticContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CE3 3.57Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.19Å; T167-W171 HydrophobicContact CG2-CZ2 3.8Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 WeakPolarHBondContact O-CB 3.47Å; T167-W171 PolarHBondContact O-N 2.85Å; Q168-W171 PolarHBondContact O-N 2.94Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.53Å; W171-A174 PolarHBondContact O-N 3.21Å; W171-R175 PolarHBondContact O-N 2.75Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.96Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.12Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 3.34Å
172	E	98.5	Very high	98.3	Very high	94 Å²	94	75.3 Å²	75.3	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-46.7	171.8	-73.4	169.4	174.8	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.32Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 3.43Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.34Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.71Å; E172-R175 PolarHBondContact O-N 3.12Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	69.5 Å²	69.5	72%	0.719	34%	0.341	S	S	*	.	H	α-helix	trans	-61.2	-35.8	175.9	0	0	0	0	0	112.6	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 2.66Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	98.1	Very high	98.3	Very high	56 Å²	56	69.3 Å²	69.3	46%	0.463	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2	176.7	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.49Å; W171-A174 CarbonylContact O-C 3.53Å; W171-A174 PolarHBondContact O-N 3.21Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.71Å; A174-E176 HydrophobicContact CB-CG 4.15Å; A174-E176 PolarHBondContact O-N 3.36Å
175	R	97.9	Very high	98.3	Very high	159 Å²	159	73.6 Å²	73.6	60%	0.6	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	37.5	-176.4	-56.7	-179.3	175.2	-155.7	4.1	113.9	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.75Å; E172-R175 PolarHBondContact O-N 3.12Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.32Å; R175-A177 VanDerWaalsContact O-N 3.16Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.35Å; R175-E178 IonicContact NH1-OE1 3.36Å; R175-E178 WeakPolarHBondContact O-CB 3.42Å; R175-E178 PolarHBondContact O-N 3.4Å
176	E	97.8	Very high	98.2	Very high	42 Å²	42	71 Å²	71	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-57.1	-33	-178.8	-75.9	-77	164.2	0	0	112.7	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.22Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.96Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.12Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 3.34Å; A174-E176 HydrophobicContact CB-CG 4.15Å; A174-E176 PolarHBondContact O-N 3.36Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 2.83Å; E176-Q179 PolarHBondContact O-N 2.99Å; E176-R180 WeakPolarHBondContact O-CG 3.15Å; E176-R180 PolarHBondContact O-N 3.21Å; E176-R180 IonicContact OE2-NH2 2.79Å
177	A	98.4	Very high	98.2	Very high	9 Å²	9	70.6 Å²	70.6	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-37.2	177.6	0	0	0	0	0	112.5	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.05Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; R175-A177 PolarHBondContact O-N 3.32Å; R175-A177 VanDerWaalsContact O-N 3.16Å; A177-Q179 PolarHBondContact O-N 2.86Å; A177-R180 PolarHBondContact O-N 3.2Å; A177-R181 VanDerWaalsContact O-CB 3.22Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.64Å
178	E	98.2	Very high	98.2	Very high	113 Å²	113	69.8 Å²	69.8	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-41.9	179	-63.4	178.2	-176.8	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.35Å; R175-E178 IonicContact NH1-OE1 3.36Å; R175-E178 WeakPolarHBondContact O-CB 3.42Å; R175-E178 PolarHBondContact O-N 3.4Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 2.83Å; E178-A182 WeakPolarHBondContact O-CB 3.14Å; E178-A182 PolarHBondContact O-N 2.66Å
179	Q	97	Very high	98.2	Very high	120 Å²	120	68.2 Å²	68.2	56%	0.561	34%	0.341	S	S	*	.	H	α-helix	trans	-67.9	-41.8	177	-62.2	-175.2	8.6	0	0	112	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.99Å; A177-Q179 PolarHBondContact O-N 2.86Å; Q179-A182 PolarHBondContact O-N 3.43Å; Q179-Y183 PolarHBondContact O-N 2.7Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å
180	R	98	Very high	98.2	Very high	67 Å²	67	66.9 Å²	66.9	25%	0.253	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-44.2	177.1	-61.6	-59.9	164.7	-158.8	-6	111	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 4.01Å; W157-R180 HydrophobicContact CH2-CG 4.33Å; E176-R180 WeakPolarHBondContact O-CG 3.15Å; E176-R180 PolarHBondContact O-N 3.21Å; E176-R180 IonicContact OE2-NH2 2.79Å; A177-R180 PolarHBondContact O-N 3.2Å; R180-Y183 PolarHBondContact O-N 3.36Å; R180-L184 WeakPolarHBondContact O-CB 3.31Å; R180-L184 WeakPolarHBondContact O-CG 3.41Å; R180-L184 PolarHBondContact O-N 2.88Å
181	R	98.4	Very high	98.2	Very high	69 Å²	69	63.6 Å²	63.6	26%	0.26	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-47.4	175.6	-175.2	172.5	179.4	-131.5	-13.4	112.1	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; R155-R181 VanDerWaalsContact CZ-NH1 3.27Å; A177-R181 VanDerWaalsContact O-CB 3.22Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.64Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.04Å; R181-L184 PolarHBondContact O-N 2.91Å; R181-L184 VanDerWaalsContact O-N 3.15Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.26Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.7Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.83Å; R181-E185 IonicContact NE-OE2 3.7Å; R181-E185 PolarHBondContact NE-OE2 2.96Å; R181-E185 IonicContact NH2-OE1 2.93Å; R181-E185 PolarHBondContact NH2-OE1 2.92Å; R181-E185 IonicContact NH2-OE2 3.59Å; R181-E185 PolarHBondContact NH2-OE2 2.85Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 PolarHBondContact O-N 2.88Å
182	A	98.4	Very high	98.1	Very high	66 Å²	66	61 Å²	61	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-40.5	177.5	0	0	0	0	0	112.6	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.14Å; E178-A182 PolarHBondContact O-N 2.66Å; Q179-A182 PolarHBondContact O-N 3.43Å; A182-G186 PolarHBondContact O-N 2.85Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.3	Very high	98.1	Very high	53 Å²	53	62.4 Å²	62.4	21%	0.208	32%	0.318	C	S	.	.	I	π-helix	trans	-66	-46.6	173.8	171.4	-96	0	0	0	112.3	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.9Å; Q179-Y183 PolarHBondContact O-N 2.7Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å; R180-Y183 PolarHBondContact O-N 3.36Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.04Å; Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.72Å; Y183-T187 PolarHBondContact O-N 3.32Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.21Å; Y183-C188 PolarHBondContact O-N 3.29Å
184	L	98.6	Very high	98	Very high	3 Å²	3	64 Å²	64	2%	0.016	31%	0.305	C	S	.	.	I	π-helix	trans	-69.8	-38.9	-174.8	-70.6	171.5	0	0	0	112.8	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.44Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; R180-L184 WeakPolarHBondContact O-CB 3.31Å; R180-L184 WeakPolarHBondContact O-CG 3.41Å; R180-L184 PolarHBondContact O-N 2.88Å; R181-L184 PolarHBondContact O-N 2.91Å; R181-L184 VanDerWaalsContact O-N 3.15Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å
185	E	98.2	Very high	98	Very high	90 Å²	90	61.4 Å²	61.4	42%	0.421	28%	0.283	S	S	.	.	I	π-helix	trans	-80.4	-25.7	178.1	-68.5	-179.2	165.1	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.72Å; L154-E185 HydrophobicContact CD1-CG 4.19Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.26Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.7Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.83Å; R181-E185 IonicContact NE-OE2 3.7Å; R181-E185 PolarHBondContact NE-OE2 2.96Å; R181-E185 IonicContact NH2-OE1 2.93Å; R181-E185 PolarHBondContact NH2-OE1 2.92Å; R181-E185 IonicContact NH2-OE2 3.59Å; R181-E185 PolarHBondContact NH2-OE2 2.85Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 PolarHBondContact O-N 2.88Å
186	G	98	Very high	97.9	Very high	23 Å²	23	54.5 Å²	54.5	24%	0.237	26%	0.258	C	S	.	.	I	π-helix	trans	-107	-90.1	-179	0	0	0	0	0	112.4	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.85Å; A182-G186 VanDerWaalsContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.03Å; G186-V189 PolarHBondContact O-N 3.14Å; G186-V189 VanDerWaalsContact O-N 3.09Å; G186-E190 WeakPolarHBondContact O-CG 3.37Å; G186-E190 PolarHBondContact O-N 3.34Å
187	T	97.9	Very high	97.8	Very high	52 Å²	52	58.3 Å²	58.3	32%	0.319	28%	0.276	S	S	.	.	I	π-helix	trans	-53.5	-43.2	-170.6	-55.3	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.72Å; Y183-T187 PolarHBondContact O-N 3.32Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 3.19Å; T187-E190 PolarHBondContact O-N 2.81Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.37Å; T187-W191 PolarHBondContact O-N 2.59Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-47.5	179.9	-169.8	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.28Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.8Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.21Å; Y183-C188 PolarHBondContact O-N 3.29Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.03Å; C188-W191 PolarHBondContact O-N 2.78Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.17Å
189	V	98.3	Very high	97.6	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-45.8	178	178.4	0	0	0	0	111.2	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD1-CG1 4.33Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L133-V189 HydrophobicContact CB-CG2 4.09Å; L133-V189 HydrophobicContact CD1-CG2 4.13Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å; G186-V189 PolarHBondContact O-N 3.14Å; G186-V189 VanDerWaalsContact O-N 3.09Å; T187-V189 PolarHBondContact O-N 3.19Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.46Å
190	E	98.1	Very high	97.4	Very high	126 Å²	126	54.6 Å²	54.6	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-61.2	-47	179.9	-71.1	173.4	175	0	0	112.1	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.37Å; G186-E190 PolarHBondContact O-N 3.34Å; T187-E190 PolarHBondContact O-N 2.81Å; E190-R194 PolarHBondContact O-N 3.46Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98.1	Very high	97	Very high	43 Å²	43	60.7 Å²	60.7	16%	0.163	29%	0.286	C	S	.	.	H	α-helix	trans	-68.9	-41.7	179.6	-82	98.7	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.09Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CH2 3.48Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.48Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 AromaticContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CZ2 4.45Å; Y83-W191 AromaticContact CE2-CZ3 3.66Å; Y83-W191 HydrophobicContact CE2-CZ3 3.66Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.37Å; T187-W191 PolarHBondContact O-N 2.59Å; C188-W191 PolarHBondContact O-N 2.78Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.27Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.44Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.23Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.29Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.9Å
192	L	98.2	Very high	96.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-44.6	176.5	175.3	50.2	0	0	0	111.2	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.31Å; M29-L192 HydrophobicContact SD-CB 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CB-CD2 4.44Å; L127-L192 HydrophobicContact CD1-CB 4.18Å; L127-L192 HydrophobicContact CD1-CD2 3.71Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.21Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.17Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.12Å; L192-Y195 PolarHBondContact O-N 2.85Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 2.84Å
193	R	96.9	Very high	96.3	Very high	124 Å²	124	56.7 Å²	56.7	47%	0.468	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-43.4	174.1	-72.3	174.8	-177.5	167.8	-0.3	112.4	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.91Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 3.09Å; G131-R193 PolarHBondContact O-NH2 2.94Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.46Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.27Å; R193-L196 PolarHBondContact O-N 2.86Å; R193-E197 PolarHBondContact O-N 2.86Å
194	R	97.1	Very high	95.8	Very high	122 Å²	122	58.6 Å²	58.6	46%	0.46	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.6	177.4	175.9	173.7	136.5	0.9	111.7	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.51Å; E79-R194 VanDerWaalsContact OE1-CZ 3.26Å; E79-R194 IonicContact OE1-NE 3.32Å; E79-R194 PolarHBondContact OE1-NE 2.89Å; E79-R194 IonicContact OE1-NH2 3.53Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.43Å; E79-R194 IonicContact OE2-NE 3.84Å; E79-R194 IonicContact OE2-NH2 2.66Å; E79-R194 PolarHBondContact OE2-NH2 3.11Å; E190-R194 PolarHBondContact O-N 3.46Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.44Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 2.75Å; R194-N198 WeakPolarHBondContact O-CB 3.35Å; R194-N198 PolarHBondContact O-N 2.97Å; R194-N198 PolarHBondContact O-OD1 2.94Å
195	Y	97.4	Very high	95.4	Very high	1 Å²	1	62 Å²	62	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-39.5	178.3	-62.1	-32.8	0	0	0	112.4	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 AromaticContact CE2-CE2 3.83Å; F57-Y195 HydrophobicContact CE2-CE2 3.83Å; F57-Y195 AromaticContact CE2-CZ 3.94Å; F57-Y195 HydrophobicContact CZ-CD2 4.4Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CH2-CD1 4.46Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; V76-Y195 HydrophobicContact CG2-CE1 4.27Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.35Å; Y83-Y195 PolarHBondContact OH-OH 3.01Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.23Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.29Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.9Å; L192-Y195 PolarHBondContact O-N 2.85Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.41Å; Y195-N198 PolarHBondContact O-N 3.43Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.98Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å
196	L	95.9	Very high	95.1	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-37.6	174.5	-71.9	169.3	0	0	0	112.3	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.11Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 2.86Å; L196-K200 WeakPolarHBondContact O-CA 3.33Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 3.04Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 PolarHBondContact O-NE2 2.82Å
197	E	95.7	Very high	94.9	Very high	122 Å²	122	61.6 Å²	61.6	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-70.7	-48.2	175.2	-171.6	58.1	-147.8	0	0	111.4	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.86Å; R194-E197 PolarHBondContact O-N 2.75Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.41Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.76Å; E197-K200 WeakPolarHBondContact O-CB 3.17Å; E197-K200 PolarHBondContact O-N 2.64Å
198	N	96.5	Very high	94.8	Very high	52 Å²	52	63.8 Å²	63.8	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-43.2	178.1	-71.1	-6	0	0	0	112.3	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.49Å; Q78-N198 PolarHBondContact NE2-ND2 2.82Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.35Å; R194-N198 PolarHBondContact O-N 2.97Å; R194-N198 PolarHBondContact O-OD1 2.94Å; Y195-N198 PolarHBondContact O-N 3.43Å
199	G	95.3	Very high	94.7	Very high	3 Å²	3	64.2 Å²	64.2	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	13.3	-175.6	0	0	0	0	0	113.9	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.98Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.76Å; G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 3.04Å; G199-T202 CarbonylContact O-C 3.53Å; G199-T202 WeakPolarHBondContact O-CA 3.45Å; G199-T202 PolarHBondContact O-N 3.44Å; G199-L203 PolarHBondContact O-N 2.91Å
200	K	93.2	Very high	94.7	Very high	109 Å²	109	71.3 Å²	71.3	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-46.5	-44.4	-169.7	-175.3	171.3	-172.1	168.6	0	114.6	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.33Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 3.04Å; E197-K200 WeakPolarHBondContact O-CB 3.17Å; E197-K200 PolarHBondContact O-N 2.64Å; K200-T202 PolarHBondContact O-N 2.87Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 2.93Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
201	K	90.9	Very high	94.7	Very high	195 Å²	195	67 Å²	67	85%	0.848	31%	0.307	S	S	*	.	H	α-helix	trans	-65.3	-23.8	179.7	-66.6	-177.5	179.6	177.6	0	114.2	G199	G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 3.04Å
202	T	89.8	Confident	94.6	Very high	47 Å²	47	68.8 Å²	68.8	29%	0.288	32%	0.316	S	S	.	.	H	α-helix	trans	-105.6	-42.4	-176.3	-49.7	0	0	0	0	111.7	G199 K200 R205	G199-T202 CarbonylContact O-C 3.53Å; G199-T202 WeakPolarHBondContact O-CA 3.45Å; G199-T202 PolarHBondContact O-N 3.44Å; K200-T202 PolarHBondContact O-N 2.87Å; T202-R205 WeakPolarHBondContact O-CD 3.2Å; T202-R205 VanDerWaalsContact O-CG 3.27Å; T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 3.03Å
203	L	91.3	Very high	94.6	Very high	4 Å²	4	70 Å²	70	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-85.4	-30.1	-173.5	-62.7	172.9	0	0	0	113	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.42Å; W75-L203 HydrophobicContact CZ2-CD1 3.91Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.46Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 2.91Å
204	Q	89	Confident	94.6	Very high	92 Å²	92	65.8 Å²	65.8	43%	0.43	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	25.7	178.3	-57.7	176.1	24.5	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.82Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 2.93Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
205	R	90.2	Very high	94.5	Very high	74 Å²	74	62.6 Å²	62.6	28%	0.279	30%	0.302	S	S	.	.			trans	-94.1	147.3	169.9	80.4	-169.9	169.3	-179.6	4.4	108.5	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.2Å; T202-R205 VanDerWaalsContact O-CG 3.27Å; T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 3.03Å; R205-E207 WeakPolarHBondContact CD-OE1 3.34Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3.17Å; R205-E207 IonicContact NE-OE1 3.7Å; R205-E207 PolarHBondContact NE-OE1 3.48Å; R205-E207 IonicContact NH1-OE1 3.76Å; R205-E207 PolarHBondContact NH1-OE1 3.16Å; R205-E207 IonicContact NH2-OE1 3.72Å; R205-Y233 HydrophobicContact CG-CD1 4.03Å; R205-Y233 HydrophobicContact CG-CE1 4.45Å; R205-Y233 WeakPolarHBondContact O-CD1 3.4Å
206	A	91.7	Very high	94.3	Very high	39 Å²	39	66.5 Å²	66.5	32%	0.322	32%	0.32	S	S	.	.			trans	-119.3	122	163.5	0	0	0	0	0	108.1	Y233	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.24Å
207	E	93.8	Very high	94.2	Very high	66 Å²	66	70.6 Å²	70.6	31%	0.308	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-101.4	118.1	175	-66.7	-172.8	-147.5	0	0	108.3	R205 F232 Y233 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.34Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3.17Å; R205-E207 IonicContact NE-OE1 3.7Å; R205-E207 PolarHBondContact NE-OE1 3.48Å; R205-E207 IonicContact NH1-OE1 3.76Å; R205-E207 PolarHBondContact NH1-OE1 3.16Å; R205-E207 IonicContact NH2-OE1 3.72Å; E207-F232 WeakPolarHBondContact O-CA 3.22Å; E207-F232 WeakPolarHBondContact O-CB 3.33Å; E207-Y233 PolarHBondContact N-O 3.23Å; E207-Y233 PolarHBondContact O-N 2.87Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-H287 PolarHBondContact O-CE1 3.28Å; E207-H287 VanDerWaalsContact O-CE1 3.24Å
208	H	94.9	Very high	94	Very high	99 Å²	99	69.2 Å²	69.2	46%	0.458	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-68	144.6	-177.8	-50.5	-103.2	0	0	0	111.5	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.28Å; H208-G289 PolarHBondContact CE1-O 2.88Å; H208-G289 PolarHBondContact ND1-O 2.77Å; H208-L290 HydrophobicContact CB-CD2 4.09Å; H208-L290 PolarHBondContact ND1-N 3.31Å
209	P	97.3	Very high	93.8	Very high	8 Å²	8	69.2 Å²	69.2	5%	0.052	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.1	131.3	176	28.1	-34.8	0	0	0	111.6	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 2.82Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.13Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.49Å; P209-L290 HydrophobicContact CG-CG 4.24Å
210	K	97.6	Very high	93.5	Very high	158 Å²	158	76.3 Å²	76.3	69%	0.687	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	111	163.6	-65.5	171.9	-172.8	165	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 3.28Å; K210-L230 PolarHBondContact N-O 3.12Å; K210-L230 PolarHBondContact O-N 2.8Å
211	T	97.6	Very high	93.5	Very high	36 Å²	36	78.2 Å²	78.2	22%	0.221	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.5	-172	58.6	0	0	0	0	112.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 2.82Å; T211-W228 WeakPolarHBondContact CA-O 3.26Å; T211-W228 WeakPolarHBondContact CB-O 3.19Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; T211-L294 HydrophobicContact CG2-CD1 4.37Å; T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å
212	H	96.4	Very high	93.7	Very high	80 Å²	80	73.3 Å²	73.3	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.5	172.7	62.6	-74.8	0	0	0	110.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.87Å
213	V	97.8	Very high	94	Very high	25 Å²	25	71.1 Å²	71.1	15%	0.152	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.9	176	-177.9	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; V213-R226 WeakPolarHBondContact CA-O 3.4Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.4	Very high	94.2	Very high	35 Å²	35	71.9 Å²	71.9	22%	0.215	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.7	174.7	53.8	0	0	0	0	110	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.82Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.42Å; T214-R226 PolarHBondContact N-O 3.29Å; T214-R226 PolarHBondContact O-N 2.9Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 2.66Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 2.96Å
215	H	95.4	Very high	94.7	Very high	55 Å²	55	67.5 Å²	67.5	26%	0.255	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.1	-178.8	167.4	-91.3	0	0	0	109.6	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H215-T224 WeakPolarHBondContact CA-O 3.41Å; H215-L225 HydrophobicContact CB-CD2 3.95Å; H215-E278 IonicContact NE2-OE1 3.17Å; H215-W298 HydrophobicContact CB-CD2 4.19Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 3.93Å; H215-W298 AromaticContact CD2-CE2 3.87Å; H215-W298 AromaticContact CD2-CZ2 3.74Å; H215-W298 AromaticContact CG-CE2 3.62Å; H215-W298 AromaticContact CG-CZ2 3.57Å; H215-W298 AromaticContact CG-NE1 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.76Å
216	H	94.4	Very high	95	Very high	84 Å²	84	66.5 Å²	66.5	39%	0.389	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	105.1	-178.7	-57.8	83.6	0	0	0	108.5	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.82Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-V218 PolarHBondContact O-N 3.02Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.36Å; H216-T224 PolarHBondContact N-O 3.31Å; H216-T224 PolarHBondContact O-N 3.3Å; H216-R226 PolarHBondContact CE1-NH1 3.12Å; H216-R226 VanDerWaalsContact CE1-NH1 3.3Å
217	P	93.5	Very high	95.3	Very high	99 Å²	99	64.6 Å²	64.6	64%	0.643	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	130.9	172.4	-19.6	30.1	0	0	0	110.3
218	V	91.4	Very high	95.6	Very high	93 Å²	93	63.9 Å²	63.9	56%	0.564	33%	0.325	S	S	*	.			trans	-104.1	-40.7	175.9	-178.7	0	0	0	0	109.9	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.02Å; V218-E222 PolarHBondContact N-O 2.86Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.45Å
219	S	92.3	Very high	95.7	Very high	52 Å²	52	59.1 Å²	59.1	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-148.2	-178.3	174.9	71.9	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 3.13Å; S219-E222 PolarHBondContact N-O 3.15Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.86Å
220	D	89.3	Confident	95.8	Very high	153 Å²	153	61.3 Å²	61.3	82%	0.818	31%	0.314	S	S	*	.	S	Bend	trans	-66.5	-10.3	172.8	-65.4	-23.8	0	0	0	113.3
221	H	92.8	Very high	95.7	Very high	148 Å²	148	54.8 Å²	54.8	69%	0.685	29%	0.291	S	S	*	.	S	Bend	trans	-115.8	-15.8	-175.9	-56.7	-43.4	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 3.13Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.49Å; H221-S275 PolarHBondContact O-N 3.38Å; H221-S275 PolarHBondContact O-OG 2.77Å
222	E	94.9	Very high	95.7	Very high	92 Å²	92	53 Å²	53	43%	0.43	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.8	-171.7	-66.5	-179	165.8	0	0	112.3	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact N-O 3.15Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.86Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.47Å; E222-S275 PolarHBondContact N-OG 3.38Å
223	A	95.2	Very high	95.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.5	171.3	0	0	0	0	0	110.8	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.36Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.43Å; A223-V273 WeakPolarHBondContact O-CG2 3.14Å; A223-V273 PolarHBondContact O-N 3.24Å
224	T	97.3	Very high	95.5	Very high	21 Å²	21	48.9 Å²	48.9	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.6	170.7	-54	0	0	0	0	109.7	H215 H216 V218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.41Å; H216-T224 PolarHBondContact N-O 3.31Å; H216-T224 PolarHBondContact O-N 3.3Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.45Å; T224-A270 HydrophobicContact CG2-CB 3.92Å; T224-V271 WeakPolarHBondContact CA-O 3.43Å
225	L	97.8	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.5	165.7	-63.5	-175.9	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; T214-L225 WeakPolarHBondContact O-CA 3.42Å; H215-L225 HydrophobicContact CB-CD2 3.95Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.5Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.24Å; L225-V271 PolarHBondContact O-N 3.39Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.07Å; L225-E278 HydrophobicContact CD1-CG 4.48Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.31Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.83Å
226	R	98.1	Very high	95.4	Very high	52 Å²	52	51.3 Å²	51.3	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	117	176.6	-178.8	-177.5	-61.2	114.7	3.3	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.4Å; T214-R226 PolarHBondContact N-O 3.29Å; T214-R226 PolarHBondContact O-N 2.9Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 2.66Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; H216-R226 PolarHBondContact CE1-NH1 3.12Å; H216-R226 VanDerWaalsContact CE1-NH1 3.3Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.27Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.2	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.1	175.7	-173.5	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.47Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; C227-A269 PolarHBondContact N-O 2.87Å; C227-A269 PolarHBondContact O-N 3.5Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.88Å
228	W	98.3	Very high	95.6	Very high	50 Å²	50	45.6 Å²	45.6	19%	0.189	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.1	-179.9	-69.9	89.9	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.26Å; T211-W228 WeakPolarHBondContact CB-O 3.19Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.87Å; T214-W228 PolarHBondContact OG1-NE1 2.96Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.4	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.1	162.3	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.13Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.31Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.1	Very high	96.2	Very high	54 Å²	54	40.9 Å²	40.9	28%	0.283	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.6	-175	-58.5	177.1	0	0	0	111	K210 W228 Q266	K210-L230 PolarHBondContact N-O 3.12Å; K210-L230 PolarHBondContact O-N 2.8Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å
231	G	97.1	Very high	96.6	Very high	20 Å²	20	33.8 Å²	33.8	21%	0.206	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.4	35.9	168.4	0	0	0	0	0	113.6	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.39Å; G231-F265 PolarHBondContact N-O 3.08Å
232	F	96.7	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	155.3	179.2	59.4	-90.5	0	0	0	112.4	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.22Å; E207-F232 WeakPolarHBondContact O-CB 3.33Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.13Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 WeakPolarHBondContact O-CA 3.46Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.39Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.04Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.81Å; F232-F265 PolarHBondContact O-N 3.02Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.87Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	95	Very high	96.9	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.012	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-151.2	135.8	173.5	179	-83.8	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.16Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å; T55-Y233 VanDerWaalsContact OG1-OH 3.04Å; R205-Y233 HydrophobicContact CG-CD1 4.03Å; R205-Y233 HydrophobicContact CG-CE1 4.45Å; R205-Y233 WeakPolarHBondContact O-CD1 3.4Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.24Å; E207-Y233 PolarHBondContact N-O 3.23Å; E207-Y233 PolarHBondContact O-N 2.87Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.48Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.4Å; Y233-H287 PolarHBondContact O-CE1 3.05Å
234	P	94.3	Very high	96.9	Very high	15 Å²	15	32.4 Å²	32.4	10%	0.097	17%	0.166	C	C	.	.	S	Bend	cis	-72.1	179	2.6	31	-36.8	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.23Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.12Å; P234-H287 PolarHBondContact O-NE2 3.31Å; P234-E288 HydrophobicContact CG-CB 4.47Å
235	A	95.6	Very high	96.6	Very high	15 Å²	15	33.8 Å²	33.8	12%	0.124	18%	0.184	C	C	.	.	S	Bend	trans	-70.1	-25	-175.7	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 PolarHBondContact OD2-N 3.3Å; A235-I237 PolarHBondContact O-N 2.9Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95	Very high	96.5	Very high	126 Å²	126	40.6 Å²	40.6	59%	0.589	22%	0.216	S	C	*	.			trans	-64.7	117.1	179.4	-170.1	57.9	-138.8	0	0	110.3	W23 P234 H287	W23-E236 HydrophobicContact CH2-CG 4.49Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.12Å; E236-H287 PolarHBondContact O-CD2 2.9Å
237	I	95.8	Very high	96.4	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.041	23%	0.231	C	C	.	.			trans	-153.3	141.1	-178.2	-164.1	171.4	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 2.9Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; I237-H287 HydrophobicContact CD1-CB 4.3Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	96.9	Very high	96.2	Very high	55 Å²	55	44 Å²	44	34%	0.337	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.5	174.3	-64.5	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; T238-Q286 PolarHBondContact N-O 2.93Å; T238-Q286 PolarHBondContact O-N 3.48Å
239	L	97.7	Very high	95.8	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123	173.2	-87.8	63.3	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.4	Very high	95.3	Very high	39 Å²	39	55.8 Å²	55.8	24%	0.239	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.6	179.8	46.7	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 2.85Å; T240-H284 PolarHBondContact O-N 2.93Å; T240-H284 WeakPolarHBondContact OG1-CB 2.99Å
241	W	98.1	Very high	94.8	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.011	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.2	170	-82.8	105.6	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.75Å; W241-A269 PolarHBondContact NE1-O 2.76Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.01Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; W241-T282 WeakPolarHBondContact CA-O 3.34Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.7	Very high	94.7	Very high	42 Å²	42	58.7 Å²	58.7	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.8	171.8	-70.6	-174.5	-5.6	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.57Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.05Å; Q242-D247 PolarHBondContact NE2-OD1 3.05Å; Q242-Y281 CarbonylContact O-C 3.48Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.33Å; Q242-T282 PolarHBondContact N-O 3.04Å; Q242-T282 PolarHBondContact O-N 3.39Å; Q242-H284 PolarHBondContact OE1-NE2 3.08Å
243	R	97.1	Very high	94.7	Very high	72 Å²	72	64.3 Å²	64.3	27%	0.272	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.3	168.7	-175.9	-172.8	-176.9	178.5	-1.9	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.84Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 3.2Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-E277 IonicContact CZ-OE2 3.51Å; R243-E277 IonicContact NE-OE2 3.73Å; R243-E277 IonicContact NH2-OE1 3.78Å; R243-E277 IonicContact NH2-OE2 2.67Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; R243-R280 WeakPolarHBondContact CA-O 3.34Å; R243-R280 HydrophobicContact CG-CB 4.4Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.84Å; R243-Y281 WeakPolarHBondContact CD-OH 3.25Å; R243-Y281 HydrophobicContact CG-CD1 4.4Å; R243-Y281 HydrophobicContact CG-CE1 3.99Å; R243-Y281 HydrophobicContact CG-CE2 4.18Å
244	D	94.6	Very high	94.8	Very high	99 Å²	99	68.4 Å²	68.4	53%	0.529	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	29.7	-175.6	-53.8	-51.2	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.9Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 3.24Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.79Å; D244-R280 PolarHBondContact OD2-NE 3.15Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.15Å
245	G	91.3	Very high	94.9	Very high	49 Å²	49	69.2 Å²	69.2	51%	0.505	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-1	-177.8	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.84Å
246	E	95.3	Very high	94.9	Very high	144 Å²	144	76.8 Å²	76.8	67%	0.673	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.8	176.2	-63.3	-173.4	170.3	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.57Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 3.2Å; E246-Q248 PolarHBondContact O-NE2 3.18Å
247	D	95.2	Very high	95	Very high	96 Å²	96	72.9 Å²	72.9	51%	0.513	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.2	-179.4	-69.8	-22.8	0	0	0	112.6	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.05Å; Q242-D247 PolarHBondContact NE2-OD1 3.05Å
248	Q	94.9	Very high	95.1	Very high	28 Å²	28	76.9 Å²	76.9	13%	0.131	40%	0.399	C	S	.	.			trans	-104.9	36.8	-177.5	-57.8	-59.5	-65.3	0	0	112.4	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.75Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 3.18Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.36Å; Q248-D251 PolarHBondContact O-N 2.83Å; Q248-T252 WeakPolarHBondContact O-CB 3.49Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 3.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	89.1	Confident	95.1	Very high	106 Å²	106	78.7 Å²	78.7	65%	0.65	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.8	-169.1	-45.8	0	0	0	0	114
250	Q	88.9	Confident	95	Very high	191 Å²	191	80.8 Å²	80.8	89%	0.893	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-32.5	-178.5	-66.5	-173.8	3.6	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.36Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	87.4	Confident	94.7	Very high	112 Å²	112	82.5 Å²	82.5	60%	0.599	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.5	-177.7	-57	-52.9	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.83Å
252	T	94.8	Very high	94.4	Very high	23 Å²	23	87.7 Å²	87.7	14%	0.141	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.3	179.6	-63.7	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.49Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 3.08Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.85Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å
253	E	96.6	Very high	94.1	Very high	117 Å²	117	87.7 Å²	87.7	55%	0.547	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	107.6	163.4	-173.8	-174.2	-171.6	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.93Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.46Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.17Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.42Å; E253-A270 PolarHBondContact O-N 2.88Å
254	L	96.5	Very high	94	Very high	90 Å²	90	84.7 Å²	84.7	47%	0.471	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.9	178.3	-173.7	68.6	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.85Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96.4	Very high	94.1	Very high	32 Å²	32	81.2 Å²	81.2	19%	0.194	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-83.9	153.4	174.7	-64.6	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.25Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 2.74Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.43Å
256	E	96.3	Very high	94.5	Very high	173 Å²	173	80.9 Å²	80.9	81%	0.808	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-57.7	148	167.5	-67.4	-175.9	173.6	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.35Å
257	T	97.5	Very high	94.6	Very high	45 Å²	45	75.1 Å²	75.1	28%	0.276	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-68	130	174	-56.3	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.3Å
258	R	96.9	Very high	94.8	Very high	92 Å²	92	71.7 Å²	71.7	35%	0.347	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.4	-174.8	68.1	-168.8	-178.1	-160.8	0.3	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.35Å; R258-F265 WeakPolarHBondContact O-CA 3.26Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.04Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.04Å
259	P	96.7	Very high	94.9	Very high	93 Å²	93	70.4 Å²	70.4	60%	0.604	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	145.7	177.9	28.4	-34.5	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CE1 4.32Å
260	A	96	Very high	95.3	Very high	50 Å²	50	65.4 Å²	65.4	41%	0.413	37%	0.365	S	S	.	.			trans	-89.6	-16.2	173.3	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.41Å; A260-T264 PolarHBondContact N-O 2.92Å
261	G	92.1	Very high	95.8	Very high	76 Å²	76	56.5 Å²	56.5	78%	0.784	32%	0.324	S	S	*	.	S	Bend	trans	95.5	-7	179.2	0	0	0	0	0	114.9
262	D	91.7	Very high	96.2	Very high	112 Å²	112	54.8 Å²	54.8	60%	0.599	32%	0.318	S	S	*	.	S	Bend	trans	-105.5	12.2	176.2	61.2	-0.1	0	0	0	112.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; D262-T264 WeakPolarHBondContact OD1-CB 3.1Å; D262-T264 PolarHBondContact OD1-N 2.66Å; D262-T264 PolarHBondContact OD1-OG1 3.17Å
263	G	90.2	Very high	96.3	Very high	41 Å²	41	53.8 Å²	53.8	42%	0.423	31%	0.311	S	S	.	.	S	Bend	trans	87	2.6	-173.9	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.48Å
264	T	95.8	Very high	96.3	Very high	9 Å²	9	50.4 Å²	50.4	6%	0.055	30%	0.3	C	S	.	.			trans	-106.1	173	172.3	74.3	0	0	0	0	112.2	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.39Å; F232-T264 WeakPolarHBondContact O-CA 3.46Å; A260-T264 WeakPolarHBondContact CB-O 3.41Å; A260-T264 PolarHBondContact N-O 2.92Å; D262-T264 WeakPolarHBondContact OD1-CB 3.1Å; D262-T264 PolarHBondContact OD1-N 2.66Å; D262-T264 PolarHBondContact OD1-OG1 3.17Å
265	F	97.8	Very high	96	Very high	26 Å²	26	48.8 Å²	48.8	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	162.6	-177.3	-63.4	-85.8	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.66Å; G231-F265 PolarHBondContact N-O 3.08Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.39Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.04Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.81Å; F232-F265 PolarHBondContact O-N 3.02Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.4Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.26Å; P259-F265 HydrophobicContact CB-CE1 4.32Å
266	Q	98.1	Very high	95.7	Very high	43 Å²	43	50.4 Å²	50.4	20%	0.201	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.3	174.2	44.7	167.6	-24.2	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.04Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.04Å
267	K	98.5	Very high	95.7	Very high	22 Å²	22	44.8 Å²	44.8	10%	0.096	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.6	177.2	-163	-175.7	-172.3	69.8	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.31Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.25Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 2.74Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.3Å
268	W	98.3	Very high	95.5	Very high	25 Å²	25	43.5 Å²	43.5	10%	0.095	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.5	169.1	59.2	-97.9	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.47Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.93Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.46Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.43Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.2	Very high	95.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.8	173.6	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.27Å; C227-A269 PolarHBondContact N-O 2.87Å; C227-A269 PolarHBondContact O-N 3.5Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.76Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.17Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	97.9	Very high	95.3	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.8	179.3	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.92Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.5Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.42Å; E253-A270 PolarHBondContact O-N 2.88Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.7	Very high	95.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.9	175.9	63.3	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.43Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.24Å; L225-V271 PolarHBondContact O-N 3.39Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.01Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CE1 4.21Å
272	V	97.1	Very high	95.6	Very high	77 Å²	77	38.7 Å²	38.7	47%	0.467	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.6	172	-178.7	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	96.1	Very high	95.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.7	-175.5	-52.4	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.43Å; A223-V273 WeakPolarHBondContact O-CG2 3.14Å; A223-V273 PolarHBondContact O-N 3.24Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	95.8	Very high	96.3	Very high	47 Å²	47	33 Å²	33	31%	0.305	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.4	170	-20.4	32.4	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.49Å; P274-G276 PolarHBondContact O-N 3.38Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.37Å; P274-E277 PolarHBondContact O-N 2.98Å
275	S	91.8	Very high	96.4	Very high	55 Å²	55	32.6 Å²	32.6	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.7	176.4	-63	0	0	0	0	111.2	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.38Å; H221-S275 PolarHBondContact O-OG 2.77Å; E222-S275 PolarHBondContact N-OG 3.38Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.3Å
276	G	90.4	Very high	96.3	Very high	66 Å²	66	35.2 Å²	35.2	68%	0.68	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	-8.2	-176.5	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.38Å; G276-E278 WeakPolarHBondContact CA-OE2 3.21Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.44Å; G276-E278 PolarHBondContact N-OE2 3.05Å
277	E	94.5	Very high	96.1	Very high	55 Å²	55	33.3 Å²	33.3	26%	0.257	18%	0.184	S	C	.	.			trans	-99.2	3.8	176.3	-66.4	-160.1	-156.8	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.51Å; R243-E277 IonicContact NE-OE2 3.73Å; R243-E277 IonicContact NH2-OE1 3.78Å; R243-E277 IonicContact NH2-OE2 2.67Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.37Å; P274-E277 PolarHBondContact O-N 2.98Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.02Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 3.36Å; E277-R280 IonicContact OE1-NH1 3.71Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 3.82Å; E277-R280 IonicContact OE2-NH1 2.73Å; E277-R280 PolarHBondContact OE2-NH1 3.25Å; E277-Y281 HydrophobicContact CB-CE2 4.33Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å
278	E	94	Very high	95.8	Very high	18 Å²	18	35 Å²	35	8%	0.084	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.8	-170.6	-56.6	83.3	180	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.17Å; L225-E278 HydrophobicContact CD1-CB 4.07Å; L225-E278 HydrophobicContact CD1-CG 4.48Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.3Å; G276-E278 WeakPolarHBondContact CA-OE2 3.21Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.44Å; G276-E278 PolarHBondContact N-OE2 3.05Å; E278-R280 PolarHBondContact O-N 2.94Å; E278-Y281 PolarHBondContact O-N 3.39Å; E278-W298 HydrophobicContact CB-CD2 4.22Å; E278-W298 HydrophobicContact CB-CE3 3.22Å; E278-W298 HydrophobicContact CB-CZ3 3.53Å; E278-W298 HydrophobicContact CG-CD2 4.46Å; E278-W298 HydrophobicContact CG-CE3 3.59Å; E278-W298 HydrophobicContact CG-CH2 4.32Å; E278-W298 HydrophobicContact CG-CZ3 3.48Å; E278-W298 VanDerWaalsContact CG-CZ3 3.48Å
279	Q	94.3	Very high	95.4	Very high	95 Å²	95	34.4 Å²	34.4	44%	0.444	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-71.1	-16.2	179.3	-63.5	-55.3	-46.1	0	0	114.3	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.02Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-R297 PolarHBondContact O-NH1 3.06Å; Q279-W298 PolarHBondContact NE2-O 3.25Å
280	R	95.8	Very high	95.2	Very high	99 Å²	99	35.6 Å²	35.6	37%	0.374	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-78	-16.1	174.2	-62.8	174.2	67.1	178.6	5.7	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.34Å; R243-R280 HydrophobicContact CG-CB 4.4Å; D244-R280 PolarHBondContact N-O 2.9Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 3.24Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.79Å; D244-R280 PolarHBondContact OD2-NE 3.15Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.15Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 3.36Å; E277-R280 IonicContact OE1-NH1 3.71Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 3.82Å; E277-R280 IonicContact OE2-NH1 2.73Å; E277-R280 PolarHBondContact OE2-NH1 3.25Å; E278-R280 PolarHBondContact O-N 2.94Å
281	Y	96.9	Very high	94.8	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.7	-177.6	-67	-98.1	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.48Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.33Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.84Å; R243-Y281 WeakPolarHBondContact CD-OH 3.25Å; R243-Y281 HydrophobicContact CG-CD1 4.4Å; R243-Y281 HydrophobicContact CG-CE1 3.99Å; R243-Y281 HydrophobicContact CG-CE2 4.18Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CE1 4.21Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.33Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E278-Y281 PolarHBondContact O-N 3.39Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å
282	T	97.6	Very high	94.6	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133	174.9	44.3	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.34Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.04Å; Q242-T282 PolarHBondContact O-N 3.39Å; T282-H284 PolarHBondContact OG1-NE2 3.07Å; T282-T295 HydrophobicContact CG2-CG2 3.82Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; T282-R297 HydrophobicContact CG2-CG 3.52Å
283	C	97.9	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.2	168.5	173.4	0	0	0	0	109.4	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.88Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.34Å; C283-L296 PolarHBondContact O-N 3.15Å
284	H	97.4	Very high	94.4	Very high	34 Å²	34	50.9 Å²	50.9	16%	0.157	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.9	176.1	-63.9	-102.5	0	0	0	109.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.42Å; T240-H284 PolarHBondContact N-O 2.85Å; T240-H284 PolarHBondContact O-N 2.93Å; T240-H284 WeakPolarHBondContact OG1-CB 2.99Å; Q242-H284 PolarHBondContact OE1-NE2 3.08Å; T282-H284 PolarHBondContact OG1-NE2 3.07Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.12Å; H284-T295 PolarHBondContact CE1-OG1 2.91Å; H284-T295 PolarHBondContact ND1-OG1 3.28Å
285	V	97.6	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.5	-178.5	-174.5	0	0	0	0	109.2	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.3Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.93Å; V285-L294 PolarHBondContact O-N 3.42Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
286	Q	96.6	Very high	94.7	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.379	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.8	174.9	-56.7	179.4	12.2	0	0	109.3	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; T238-Q286 PolarHBondContact N-O 2.93Å; T238-Q286 PolarHBondContact O-N 3.48Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
287	H	94.8	Very high	94.9	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.014	28%	0.278	C	S	.	.			trans	-157.8	145.9	-176.9	-174.5	-100.1	0	0	0	109.6	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.28Å; E207-H287 VanDerWaalsContact O-CE1 3.24Å; P209-H287 HydrophobicContact CG-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.87Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.05Å; P234-H287 PolarHBondContact O-NE2 3.31Å; E236-H287 PolarHBondContact O-CD2 2.9Å; I237-H287 HydrophobicContact CD1-CB 4.3Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 PolarHBondContact ND1-N 3.31Å; H287-G289 PolarHBondContact O-N 3Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.21Å; H287-L290 PolarHBondContact O-N 3.16Å
288	E	90.9	Very high	94.8	Very high	58 Å²	58	56.4 Å²	56.4	27%	0.271	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-37.7	179.8	-164.8	172	144.9	0	0	113.6	W23 C25 P234 L290	W23-E288 HydrophobicContact CB-CG 4.13Å; W23-E288 HydrophobicContact CD2-CB 3.92Å; W23-E288 HydrophobicContact CD2-CG 4.15Å; W23-E288 HydrophobicContact CE3-CB 3.2Å; W23-E288 HydrophobicContact CE3-CG 3.58Å; W23-E288 HydrophobicContact CG-CG 4.44Å; W23-E288 HydrophobicContact CH2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.44Å; W23-E288 VanDerWaalsContact CZ3-CB 3.44Å; W23-E288 HydrophobicContact CZ3-CG 4.29Å; C25-E288 PolarHBondContact SG-OE1 2.83Å; P234-E288 HydrophobicContact CG-CB 4.47Å; E288-L290 VanDerWaalsContact C-N 3.26Å; E288-L290 PolarHBondContact O-N 3.45Å
289	G	90.5	Very high	94.1	Very high	12 Å²	12	57.4 Å²	57.4	12%	0.124	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-43	178.5	0	0	0	0	0	110.1	H208 H287	H208-G289 PolarHBondContact CE1-O 2.88Å; H208-G289 PolarHBondContact ND1-O 2.77Å; H287-G289 PolarHBondContact ND1-N 3.31Å; H287-G289 PolarHBondContact O-N 3Å
290	L	92.9	Very high	92.3	Very high	24 Å²	24	59 Å²	59	13%	0.126	31%	0.313	C	S	.	.			trans	-70	128.9	-170.6	-64.6	169	0	0	0	112.1	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.09Å; H208-L290 PolarHBondContact ND1-N 3.31Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.49Å; P209-L290 HydrophobicContact CG-CG 4.24Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.21Å; H287-L290 PolarHBondContact O-N 3.16Å; E288-L290 VanDerWaalsContact C-N 3.26Å; E288-L290 PolarHBondContact O-N 3.45Å; L290-E292 WeakPolarHBondContact CB-O 3.4Å; L290-E292 PolarHBondContact O-N 3.21Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CD2 4.41Å; L290-L294 HydrophobicContact CD2-CG 3.85Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.46Å
291	P	91.1	Very high	90.1	Very high	122 Å²	122	59.2 Å²	59.2	79%	0.792	33%	0.33	S	S	*	.	S	Bend	trans	-65.9	-30.6	175.7	27.9	-34.4	0	0	0	111.8
292	E	92.3	Very high	87.4	Confident	152 Å²	152	64.4 Å²	64.4	71%	0.71	37%	0.366	S	S	*	.	S	Bend	trans	-141.4	148.5	174.5	-66.6	-178.1	-179.8	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.4Å; L290-E292 PolarHBondContact O-N 3.21Å; E292-L294 PolarHBondContact O-N 3.05Å
293	P	94.6	Very high	84.8	Confident	71 Å²	71	71.1 Å²	71.1	46%	0.461	40%	0.397	S	S	.	.			trans	-53.6	135.9	173.8	-28	36.4	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.3Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
294	L	95.8	Very high	82	Confident	59 Å²	59	76.8 Å²	76.8	31%	0.309	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.3	175.7	-63.8	177.8	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.37Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.12Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.93Å; V285-L294 PolarHBondContact O-N 3.42Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CD2 4.41Å; L290-L294 HydrophobicContact CD2-CG 3.85Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.46Å; E292-L294 PolarHBondContact O-N 3.05Å
295	T	96.9	Very high	79.4	Confident	83 Å²	83	81.3 Å²	81.3	51%	0.509	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	119	170.4	-56.7	0	0	0	0	109	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.82Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; H284-T295 PolarHBondContact CE1-OG1 2.91Å; H284-T295 PolarHBondContact ND1-OG1 3.28Å
296	L	96.1	Very high	77.3	Confident	34 Å²	34	86.8 Å²	86.8	18%	0.178	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.8	-174.3	-61.3	153.8	0	0	0	109.8	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.34Å; C283-L296 PolarHBondContact O-N 3.15Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
297	R	94.9	Very high	75.1	Confident	149 Å²	149	87.2 Å²	87.2	56%	0.562	50%	0.502	S	S	*	.			trans	-120.1	155.6	167.9	-67.8	-174.1	-177.2	-165.9	-2.1	109.2	Q279 T282 G299	Q279-R297 PolarHBondContact O-NH1 3.06Å; T282-R297 HydrophobicContact CG2-CG 3.52Å; R297-G299 PolarHBondContact O-N 2.84Å
298	W	92.4	Very high	73.4	Confident	74 Å²	74	92.8 Å²	92.8	28%	0.28	53%	0.53	S	S	.	.	S	Bend	trans	-69.7	127.9	167.5	172.6	65.3	0	0	0	109.9	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.19Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 3.93Å; H215-W298 AromaticContact CD2-CE2 3.87Å; H215-W298 AromaticContact CD2-CZ2 3.74Å; H215-W298 AromaticContact CG-CE2 3.62Å; H215-W298 AromaticContact CG-CZ2 3.57Å; H215-W298 AromaticContact CG-NE1 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.76Å; L225-W298 HydrophobicContact CD1-CB 4.31Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.83Å; E278-W298 HydrophobicContact CB-CD2 4.22Å; E278-W298 HydrophobicContact CB-CE3 3.22Å; E278-W298 HydrophobicContact CB-CZ3 3.53Å; E278-W298 HydrophobicContact CG-CD2 4.46Å; E278-W298 HydrophobicContact CG-CE3 3.59Å; E278-W298 HydrophobicContact CG-CH2 4.32Å; E278-W298 HydrophobicContact CG-CZ3 3.48Å; E278-W298 VanDerWaalsContact CG-CZ3 3.48Å; Q279-W298 PolarHBondContact NE2-O 3.25Å
299	G	79.6	Confident	71.9	Confident	38 Å²	38	95.8 Å²	95.8	39%	0.392	55%	0.553	S	S	.	*	S	Bend	trans	177.3	155.9	176.2	0	0	0	0	0	110.1	R297 S301	R297-G299 PolarHBondContact O-N 2.84Å; G299-S301 PolarHBondContact O-N 3.34Å; G299-S301 VanDerWaalsContact O-N 3.12Å
300	P	56.1	Low	70.5	Confident	130 Å²	130	97.3 Å²	97.3	84%	0.844	57%	0.568	S	S	*	*			trans	-58.1	121.7	173.1	22.9	-29.6	0	0	0	108.4	S302	P300-S302 PolarHBondContact O-N 3.15Å
301	S	48.6	Very low	69.5	Low	103 Å²	103	100.9 Å²	100.9	72%	0.72	59%	0.587	S	S	*	*			trans	-47.3	100	179.9	157.5	0	0	0	0	110.8	G299 Q303	G299-S301 PolarHBondContact O-N 3.34Å; G299-S301 VanDerWaalsContact O-N 3.12Å; S301-Q303 PolarHBondContact O-N 2.7Å
302	S	41.9	Very low	68.5	Low	114 Å²	114	99.4 Å²	99.4	80%	0.797	58%	0.575	S	S	*	*			trans	-76.9	77.5	162.7	44.1	0	0	0	0	107.6	P300	P300-S302 PolarHBondContact O-N 3.15Å
303	Q	42.5	Very low	67.6	Low	153 Å²	153	94.8 Å²	94.8	72%	0.715	56%	0.563	S	S	*	*			trans	-52	131.7	154.1	-79.7	-173.7	-26.8	0	0	106.4	S301 T305	S301-Q303 PolarHBondContact O-N 2.7Å; Q303-T305 VanDerWaalsContact C-N 3.33Å; Q303-T305 PolarHBondContact O-N 3.33Å
304	P	38.9	Very low	66.7	Low	119 Å²	119	93 Å²	93	77%	0.773	56%	0.558	S	S	*	*			trans	-61.8	103.8	175.8	24.6	-30.1	0	0	0	106.7	I306	P304-I306 PolarHBondContact O-N 3Å
305	T	43	Very low	66.1	Low	129 Å²	129	95.6 Å²	95.6	79%	0.791	57%	0.571	S	S	*	*			trans	-68.2	93.9	167.7	-54.1	0	0	0	0	104.1	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.33Å; Q303-T305 PolarHBondContact O-N 3.33Å; T305-P307 WeakPolarHBondContact O-CD 3.41Å; T305-P307 VanDerWaalsContact O-N 3.08Å
306	I	52	Low	65.3	Low	114 Å²	114	94.2 Å²	94.2	59%	0.585	57%	0.569	S	S	*	*			trans	-46.3	122.7	165.4	-63.8	171.8	0	0	0	104.7	P304 I308 I311	P304-I306 PolarHBondContact O-N 3Å; I306-I308 PolarHBondContact O-N 3.22Å; I306-I311 HydrophobicContact CG2-CD1 4.01Å
307	P	50.9	Low	64.7	Low	90 Å²	90	96.9 Å²	96.9	58%	0.584	59%	0.586	S	S	*	*			trans	-72.5	82.8	-175.4	28.4	-32.9	0	0	0	107.8	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.41Å; T305-P307 VanDerWaalsContact O-N 3.08Å; P307-V309 PolarHBondContact O-N 3.05Å; P307-V309 VanDerWaalsContact O-N 3.11Å; P307-G310 PolarHBondContact O-N 3.13Å; P307-I311 PolarHBondContact O-N 3.48Å
308	I	59.8	Low	64.1	Low	120 Å²	120	95.2 Å²	95.2	62%	0.615	59%	0.588	S	S	*	*	H	α-helix	trans	-54	-32.9	177.2	-65.8	169.9	0	0	0	109.2	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.22Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.39Å; I308-I311 PolarHBondContact O-N 3.09Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 VanDerWaalsContact O-CG2 3.27Å; I308-V312 WeakPolarHBondContact O-CG2 3.44Å; I308-V312 PolarHBondContact O-N 2.83Å
309	V	58.1	Low	63.6	Low	122 Å²	122	94.4 Å²	94.4	74%	0.739	60%	0.596	S	S	*	*	H	α-helix	trans	-61	-38.9	174.5	-179	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.05Å; P307-V309 VanDerWaalsContact O-N 3.11Å; V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.23Å; V309-A313 PolarHBondContact O-N 3.19Å
310	G	62.7	Low	63.8	Low	44 Å²	44	96.8 Å²	96.8	45%	0.454	60%	0.603	S	S	.	*	H	α-helix	trans	-69.7	-37.5	179.3	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 PolarHBondContact O-N 3.13Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.39Å; G310-G314 PolarHBondContact O-N 3.01Å
311	I	70.3	Confident	65.1	Low	99 Å²	99	95.5 Å²	95.5	51%	0.508	59%	0.589	S	S	.	*	H	α-helix	trans	-70.1	-44.1	177.1	-61.3	174	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.01Å; P307-I311 PolarHBondContact O-N 3.48Å; I308-I311 PolarHBondContact O-N 3.09Å; I311-G314 PolarHBondContact O-N 3.47Å; I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 2.98Å
312	V	71.8	Confident	66.6	Low	90 Å²	90	93.7 Å²	93.7	55%	0.545	58%	0.58	S	S	.	*	H	α-helix	trans	-65.5	-42.1	178.5	174	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 VanDerWaalsContact O-CG2 3.27Å; I308-V312 WeakPolarHBondContact O-CG2 3.44Å; I308-V312 PolarHBondContact O-N 2.83Å; V312-L315 PolarHBondContact O-N 3.04Å; V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 2.96Å
313	A	71.8	Confident	68.5	Low	55 Å²	55	92.7 Å²	92.7	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-63.6	-43	175.1	0	0	0	0	0	111.9	V309 L315 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.23Å; V309-A313 PolarHBondContact O-N 3.19Å; A313-L315 PolarHBondContact O-N 3.22Å; A313-A316 PolarHBondContact O-N 3.47Å; A313-V317 WeakPolarHBondContact O-CG2 3.46Å; A313-V317 PolarHBondContact O-N 2.86Å
314	G	77.3	Confident	70.3	Confident	35 Å²	35	90.1 Å²	90.1	36%	0.361	56%	0.56	S	S	.	*	H	α-helix	trans	-61.4	-43.4	176.6	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.01Å; I311-G314 PolarHBondContact O-N 3.47Å; G314-V317 PolarHBondContact O-N 3.17Å; G314-L318 PolarHBondContact O-N 3.04Å; G314-L318 VanDerWaalsContact O-N 3.08Å
315	L	82.4	Confident	72.3	Confident	112 Å²	112	86.4 Å²	86.4	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-67	-38.3	177.1	-72.6	171.7	0	0	0	112.5	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 2.98Å; V312-L315 PolarHBondContact O-N 3.04Å; A313-L315 PolarHBondContact O-N 3.22Å; L315-L318 PolarHBondContact O-N 3.04Å; L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 2.89Å
316	A	79.8	Confident	73.9	Confident	55 Å²	55	82.9 Å²	82.9	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176.2	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 2.96Å; A313-A316 PolarHBondContact O-N 3.47Å; A316-A319 PolarHBondContact O-N 3.27Å; A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 2.71Å
317	V	83.6	Confident	75.2	Confident	89 Å²	89	81.4 Å²	81.4	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-43.6	176.9	173.6	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.46Å; A313-V317 PolarHBondContact O-N 2.86Å; G314-V317 PolarHBondContact O-N 3.17Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.44Å; V317-V320 PolarHBondContact O-N 3.09Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 3.08Å
318	L	82.2	Confident	76.4	Confident	115 Å²	115	82.8 Å²	82.8	60%	0.602	52%	0.523	S	S	*	.	H	α-helix	trans	-61	-41.4	176.1	-86.1	163.2	0	0	0	112.4	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.04Å; G314-L318 VanDerWaalsContact O-N 3.08Å; L315-L318 PolarHBondContact O-N 3.04Å; L318-L321 PolarHBondContact O-N 2.99Å; L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 3.35Å
319	A	83.2	Confident	77	Confident	56 Å²	56	79.7 Å²	79.7	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.5	0	0	0	0	0	112	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 2.89Å; A316-A319 PolarHBondContact O-N 3.27Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.44Å; A319-A322 PolarHBondContact O-N 2.89Å; A319-V323 WeakPolarHBondContact O-CG2 3.39Å; A319-V323 PolarHBondContact O-N 2.88Å
320	V	83.8	Confident	77.7	Confident	88 Å²	88	77.8 Å²	77.8	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-43.4	177.3	172.4	0	0	0	0	111.3	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 2.71Å; V317-V320 PolarHBondContact O-N 3.09Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.42Å; V320-V323 PolarHBondContact O-N 3.38Å; V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 WeakPolarHBondContact O-CG 3.4Å; V320-L324 PolarHBondContact O-N 2.94Å
321	L	82.8	Confident	78.2	Confident	103 Å²	103	79.3 Å²	79.3	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-64.5	-38.5	177.3	-70.8	173.8	0	0	0	112.2	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 3.08Å; L318-L321 PolarHBondContact O-N 2.99Å; L321-L324 PolarHBondContact O-N 3.33Å; L321-G325 PolarHBondContact O-N 2.95Å
322	A	80.6	Confident	78.3	Confident	66 Å²	66	81 Å²	81	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-41.9	175.8	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 3.35Å; A319-A322 PolarHBondContact O-N 2.89Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.42Å; A322-G325 PolarHBondContact O-N 2.93Å; A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 3.22Å
323	V	81.7	Confident	77.8	Confident	93 Å²	93	81 Å²	81	56%	0.564	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-44.9	176.2	173.6	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.39Å; A319-V323 PolarHBondContact O-N 2.88Å; V320-V323 PolarHBondContact O-N 3.38Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.79Å; V323-A326 PolarHBondContact O-N 3.33Å; V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.48Å; V323-V327 PolarHBondContact O-N 2.79Å
324	L	80.3	Confident	77.3	Confident	99 Å²	99	87.4 Å²	87.4	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-42.3	175.9	-74.5	167.4	0	0	0	111.8	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 WeakPolarHBondContact O-CG 3.4Å; V320-L324 PolarHBondContact O-N 2.94Å; L321-L324 PolarHBondContact O-N 3.33Å; L324-V327 PolarHBondContact O-N 3.05Å; L324-M328 WeakPolarHBondContact O-CB 3.31Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L324-M328 PolarHBondContact O-N 2.73Å
325	G	79.9	Confident	76.4	Confident	41 Å²	41	95.8 Å²	95.8	42%	0.423	55%	0.548	S	S	.	.	H	α-helix	trans	-60.4	-44.1	174.7	0	0	0	0	0	112.6	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 2.95Å; A322-G325 PolarHBondContact O-N 2.93Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.79Å; G325-M328 PolarHBondContact O-N 3.45Å; G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 3.09Å
326	A	78.1	Confident	74.8	Confident	55 Å²	55	99.3 Å²	99.3	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-64.8	-42.4	176.6	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 3.22Å; V323-A326 PolarHBondContact O-N 3.33Å; A326-A329 PolarHBondContact O-N 3.48Å; A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.34Å; A326-V330 PolarHBondContact O-N 3.16Å
327	V	79.2	Confident	73.5	Confident	82 Å²	82	101.2 Å²	101.2	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-44.5	176.3	172.2	0	0	0	0	110.7	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.48Å; V323-V327 PolarHBondContact O-N 2.79Å; L324-V327 PolarHBondContact O-N 3.05Å; V327-A329 PolarHBondContact O-N 3.18Å; V327-V330 PolarHBondContact O-N 2.92Å; V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.18Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 3.33Å
328	M	74.4	Confident	71.8	Confident	119 Å²	119	101.9 Å²	101.9	59%	0.586	58%	0.577	S	S	*	*	H	α-helix	trans	-63	-40.9	176.5	-71.7	-63.7	-71.5	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.31Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L324-M328 PolarHBondContact O-N 2.73Å; G325-M328 PolarHBondContact O-N 3.45Å; M328-V331 PolarHBondContact O-N 2.87Å; M328-M332 WeakPolarHBondContact O-CB 3.49Å; M328-M332 WeakPolarHBondContact O-CG 3.47Å; M328-M332 PolarHBondContact O-N 3.22Å
329	A	73.2	Confident	70	Confident	55 Å²	55	99.5 Å²	99.5	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-63.6	-42.7	175.1	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 3.09Å; A326-A329 PolarHBondContact O-N 3.48Å; V327-A329 PolarHBondContact O-N 3.18Å; A329-M332 PolarHBondContact O-N 2.97Å; A329-C333 WeakPolarHBondContact O-CB 3.48Å; A329-C333 PolarHBondContact O-N 3.12Å; A329-C333 PolarHBondContact O-SG 3.01Å
330	V	73.8	Confident	67.8	Low	82 Å²	82	100.9 Å²	100.9	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-65.2	-41.6	176.1	170.4	0	0	0	0	111.4	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.34Å; A326-V330 PolarHBondContact O-N 3.16Å; V327-V330 PolarHBondContact O-N 2.92Å; V330-C333 PolarHBondContact O-N 3.49Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 WeakPolarHBondContact O-CG 3.36Å; V330-R334 PolarHBondContact O-N 3.31Å
331	V	72.9	Confident	65.5	Low	77 Å²	77	107.2 Å²	107.2	47%	0.467	62%	0.621	S	S	.	*	H	α-helix	trans	-65.4	-41.4	177.1	170.8	0	0	0	0	111	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.18Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 3.33Å; M328-V331 PolarHBondContact O-N 2.87Å; V331-R334 PolarHBondContact O-N 3.3Å; V331-R335 WeakPolarHBondContact O-CB 3.28Å; V331-R335 PolarHBondContact O-N 3.2Å
332	M	71.1	Confident	63.1	Low	133 Å²	133	106.1 Å²	106.1	66%	0.655	63%	0.634	S	S	*	*	H	α-helix	trans	-65.8	-40.5	174.7	-74.3	-172.3	71	0	0	112.4	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.49Å; M328-M332 WeakPolarHBondContact O-CG 3.47Å; M328-M332 PolarHBondContact O-N 3.22Å; A329-M332 PolarHBondContact O-N 2.97Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.32Å; M332-R335 PolarHBondContact O-N 3.12Å; M332-K336 WeakPolarHBondContact O-CB 3.22Å; M332-K336 PolarHBondContact O-N 3.45Å
333	C	62.8	Low	60.6	Low	91 Å²	91	107 Å²	107	62%	0.615	65%	0.649	S	S	*	*	H	α-helix	trans	-63.4	-37.4	173.6	-80.1	0	0	0	0	112.3	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.48Å; A329-C333 PolarHBondContact O-N 3.12Å; A329-C333 PolarHBondContact O-SG 3.01Å; V330-C333 PolarHBondContact O-N 3.49Å; C333-K336 PolarHBondContact O-N 3.03Å; C333-S337 PolarHBondContact O-N 2.7Å; C333-S337 PolarHBondContact O-OG 3.05Å; C333-S337 VanDerWaalsContact O-OG 3.1Å
334	R	61.3	Low	58.3	Low	189 Å²	189	108 Å²	108	71%	0.713	66%	0.661	S	S	*	*	H	α-helix	trans	-73	-31.7	174.9	-77.7	-172.8	163.3	178.7	-3.1	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 WeakPolarHBondContact O-CG 3.36Å; V330-R334 PolarHBondContact O-N 3.31Å; V331-R334 PolarHBondContact O-N 3.3Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.32Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-S337 PolarHBondContact O-OG 3.17Å
335	R	57.2	Low	56	Low	211 Å²	211	108.5 Å²	108.5	80%	0.796	67%	0.671	S	S	*	*	H	α-helix	trans	-69.7	-27.7	172.4	-119.1	-179.7	176.3	177.1	-0.9	112.5	V331 M332	V331-R335 WeakPolarHBondContact O-CB 3.28Å; V331-R335 PolarHBondContact O-N 3.2Å; M332-R335 PolarHBondContact O-N 3.12Å
336	K	50.1	Low	53.8	Low	186 Å²	186	112.2 Å²	112.2	81%	0.809	69%	0.691	S	S	*	*	H	α-helix	trans	-85.4	-17.9	179.9	-162.9	166.6	-179.4	177	0	113.6	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.22Å; M332-K336 PolarHBondContact O-N 3.45Å; C333-K336 PolarHBondContact O-N 3.03Å; R334-K336 VanDerWaalsContact C-N 3.3Å
337	S	51.3	Low	51.9	Low	96 Å²	96	118.7 Å²	118.7	67%	0.671	71%	0.711	S	S	*	*	S	Bend	trans	-96.9	0.2	178.9	53	0	0	0	0	115.1	C333 R334	C333-S337 PolarHBondContact O-N 2.7Å; C333-S337 PolarHBondContact O-OG 3.05Å; C333-S337 VanDerWaalsContact O-OG 3.1Å; R334-S337 PolarHBondContact O-OG 3.17Å
338	S	48.5	Very low	49.5	Very low	103 Å²	103	119.5 Å²	119.5	72%	0.72	73%	0.727	S	S	*	*	S	Bend	trans	-94.9	17.6	176	72.5	0	0	0	0	114.5
339	G	43.9	Very low	47.3	Very low	64 Å²	64	118.7 Å²	118.7	66%	0.66	74%	0.739	S	S	*	*	S	Bend	trans	-144.2	101	179.6	0	0	0	0	0	113.2
340	G	36.1	Very low	45.5	Very low	86 Å²	86	121.4 Å²	121.4	89%	0.887	75%	0.754	S	S	*	*			trans	104.9	107	148.1	0	0	0	0	0	117.1
341	K	35.4	Very low	43.7	Very low	221 Å²	221	122.8 Å²	122.8	96%	0.961	77%	0.768	S	S	*	*			trans	-86.9	139.1	170.1	-176.9	163.5	177	172.9	0	109.5
342	G	32.4	Very low	41.9	Very low	80 Å²	80	126.5 Å²	126.5	83%	0.825	79%	0.785	S	S	*	*			trans	134.4	119.5	151.8	0	0	0	0	0	117.8
343	G	29.8	Very low	40.3	Very low	83 Å²	83	126.3 Å²	126.3	86%	0.856	80%	0.797	S	S	*	*			trans	115.8	94	139.7	0	0	0	0	0	119.2
344	S	32.8	Very low	39.1	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	81%	0.805	S	S	*	*			trans	-62.2	158.9	147.1	-175.3	0	0	0	0	109.6
345	C	32	Very low	37.8	Very low	109 Å²	109	127.2 Å²	127.2	74%	0.736	82%	0.816	S	S	*	*			cis	-155.7	171.2	34.5	-137.7	0	0	0	0	105.8
346	S	33.1	Very low	36.4	Very low	119 Å²	119	120.8 Å²	120.8	83%	0.832	82%	0.816	S	S	*	*			cis	-175.6	162.4	49	4.8	0	0	0	0	111.9
347	Q	38	Very low	35.7	Very low	190 Å²	190	116.9 Å²	116.9	89%	0.888	81%	0.812	S	S	*	*			trans	-85.2	154.3	-174.6	-177.1	179.6	8.3	0	0	114.2
348	A	29	Very low	34.9	Very low	99 Å²	99	119.4 Å²	119.4	82%	0.818	82%	0.818	S	S	*	*			trans	177.9	143.9	148	0	0	0	0	0	108.3
349	A	29.6	Very low	34	Very low	102 Å²	102	122.8 Å²	122.8	84%	0.843	82%	0.823	S	S	*	*			cis	-161.3	157	-4.5	0	0	0	0	0	107.9
350	S	34.9	Very low	33.4	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	82%	0.824	S	S	*	*			trans	-88.2	153.8	179.9	53.2	0	0	0	0	114.1
351	S	34.8	Very low	33.2	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	82%	0.82	S	S	*	*				-177.8	113.9	129.4	35.3	0	0	0	0	108.8
352	N	36.3	Very low	33	Very low	156 Å²	156	124.6 Å²	124.6	83%	0.834	81%	0.813	S	S	*	*				75.4	115.1	85.6	-88.2	0.4	0	0	0	115.2
353	S	36.9	Very low	32.9	Very low	129 Å²	129	124.9 Å²	124.9	90%	0.902	81%	0.807	S	S	*	*			trans	-154.4	126.8	134.1	-57.6	0	0	0	0	108.2
354	A	36.9	Very low	33.1	Very low	96 Å²	96	126.8 Å²	126.8	79%	0.793	81%	0.806	S	S	*	*			trans	-90.2	170.9	-179.5	0	0	0	0	0	111.8
355	Q	34.7	Very low	33.3	Very low	202 Å²	202	131.2 Å²	131.2	94%	0.944	81%	0.811	S	S	*	*			trans	116.4	124	132.7	-149.6	164.3	18.3	0	0	115.8
356	G	28.8	Very low	33.6	Very low	76 Å²	76	134 Å²	134	78%	0.784	84%	0.842	S	S	*	*			trans	144.6	94.7	160	0	0	0	0	0	113.9
357	S	35.6	Very low	33.7	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	84%	0.843	S	S	*	*			trans	-77	166.8	176.2	-41.1	0	0	0	0	113.4
358	D	33.9	Very low	33.4	Very low	148 Å²	148	131.9 Å²	131.9	79%	0.791	84%	0.84	S	S	*	*			trans	91.2	120.6	145.1	-63.9	-22.1	0	0	0	123
359	E	29.9	Very low	33.7	Very low	175 Å²	175	133.7 Å²	133.7	82%	0.818	84%	0.841	S	S	*	*				77.7	136	128.5	-83	-158.7	130.8	0	0	124.9
360	S	30.3	Very low	33.9	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	84%	0.841	S	S	*	*			trans	79.1	108.8	148.8	73.2	0	0	0	0	117.3
361	L	31.8	Very low	33.9	Very low	153 Å²	153	137.1 Å²	137.1	80%	0.801	85%	0.845	S	S	*	*				76.2	129.3	78.1	-89	173	0	0	0	114.5
362	I	31.5	Very low	33.8	Very low	156 Å²	156	138.8 Å²	138.8	80%	0.8	85%	0.85	S	S	*	*			trans	80.4	137.9	152.5	-60.2	161.3	0	0	0	114.1
363	A	29.5	Very low	33.6	Very low	87 Å²	87	137.6 Å²	137.6	72%	0.719	85%	0.851	S	S	*	*			cis	-157.3	159.4	15.2	0	0	0	0	0	111.1
364	C	34.7	Very low	33.4	Very low	122 Å²	122	138.2 Å²	138.2	82%	0.824	85%	0.847	S	S	*	*			trans	-71.7	146.9	152.5	-71.1	0	0	0	0	112.4
365	K	36.6	Very low	33.1	Very low	209 Å²	209	141.8 Å²	141.8	91%	0.909	85%	0.851	S	S	*	*			trans	146.4	147	138.3	-89.6	-178.2	171.7	178.3	0	109.7
366	A	39.7	Very low	32.9	Very low	169 Å²	169	136.3 Å²	136.3	100%	1.397	84%	0.843	S	S	*	*			cis	-133.7	0	25.2	0	0	0	0	0	113

Retrieved 366 of 366 residues in 64.3 ms (Link to these results)

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