A0A090KFS8_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KFS8, 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	35.4	Very low	43.1	Very low	241 Å²	241	147.8 Å²	147.8	100%	1.187	74%	0.743	S	S	*	*				0	101.2	0	-79.1	162.8	159.6	0	0	108.3
2	R	34.2	Very low	43	Very low	256 Å²	256	146.8 Å²	146.8	97%	0.966	74%	0.74	S	S	*	*			trans	-89.9	109.7	171.3	-104.5	178.7	175.2	168.5	-1.5	106.5	M4	R2-M4 PolarHBondContact O-N 3.24Å
3	V	38.4	Very low	42.7	Very low	141 Å²	141	143.5 Å²	143.5	86%	0.855	73%	0.725	S	S	*	*			trans	-76.7	106.5	172.4	179.7	0	0	0	0	106.7	A5	V3-A5 PolarHBondContact O-N 3.37Å
4	M	41.3	Very low	42.6	Very low	184 Å²	184	137.9 Å²	137.9	91%	0.906	71%	0.705	S	S	*	*			trans	-83.8	101	176.2	-147.8	167.3	67.2	0	0	106.8	R2	R2-M4 PolarHBondContact O-N 3.24Å
5	A	44.8	Very low	42.3	Very low	67 Å²	67	131.4 Å²	131.4	55%	0.554	69%	0.686	S	S	*	*			trans	-63.5	141.4	173.9	0	0	0	0	0	109.6	V3 R7	V3-A5 PolarHBondContact O-N 3.37Å; A5-R7 PolarHBondContact O-N 3.31Å
6	P	42.5	Very low	41.9	Very low	72 Å²	72	126.8 Å²	126.8	47%	0.468	67%	0.674	S	S	.	*			trans	-69.3	124.6	-177.3	-0.1	14.1	0	0	0	109.4	T8 L9	P6-T8 PolarHBondContact O-N 3Å; P6-L9 HydrophobicContact CG-CD1 4.41Å; P6-L9 PolarHBondContact O-N 3.01Å
7	R	50.3	Low	41.5	Very low	223 Å²	223	126.8 Å²	126.8	84%	0.842	67%	0.673	S	S	*	*	H	α-helix	trans	-55	-19.4	176.1	-82.2	177.8	163.2	140.8	-5.9	113.8	A5	A5-R7 PolarHBondContact O-N 3.31Å
8	T	48.8	Very low	41.3	Very low	101 Å²	101	124.4 Å²	124.4	62%	0.62	67%	0.674	S	S	*	*	H	α-helix	trans	-72.1	-28.8	175.2	26.9	0	0	0	0	114	P6 L12	P6-T8 PolarHBondContact O-N 3Å; T8-L12 PolarHBondContact O-N 3.46Å
9	L	43.3	Very low	41.2	Very low	108 Å²	108	125.5 Å²	125.5	57%	0.565	68%	0.678	S	S	*	*	H	α-helix	trans	-76	-29.2	178.9	-124.4	113.6	0	0	0	112.2	P6 L13	P6-L9 HydrophobicContact CG-CD1 4.41Å; P6-L9 PolarHBondContact O-N 3.01Å; L9-L13 PolarHBondContact O-N 3.12Å
10	I	47.5	Very low	40.8	Very low	107 Å²	107	124 Å²	124	55%	0.549	67%	0.673	S	S	.	*	H	α-helix	trans	-71.8	-38.7	178.6	-62.6	174.6	0	0	0	110.4	L13 S14	I10-L13 PolarHBondContact O-N 3.39Å; I10-S14 PolarHBondContact O-N 3.37Å; I10-S14 VanDerWaalsContact O-N 3.08Å; I10-S14 PolarHBondContact O-OG 3.32Å
11	L	47.3	Very low	40.5	Very low	126 Å²	126	126.3 Å²	126.3	66%	0.66	68%	0.68	S	S	*	*	H	α-helix	trans	-69.1	-34.2	178.1	-77.9	163.3	0	0	0	113.7	L13 S14 G15	L11-L13 VanDerWaalsContact C-N 3.31Å; L11-S14 PolarHBondContact O-N 2.84Å; L11-G15 PolarHBondContact O-N 3.08Å; L11-G15 VanDerWaalsContact O-N 3.12Å
12	L	42.7	Very low	40.6	Very low	135 Å²	135	120.4 Å²	120.4	71%	0.707	66%	0.657	S	S	*	*	H	α-helix	trans	-69	-31.1	174.6	-75.6	166	0	0	0	112.1	T8 A16	T8-L12 PolarHBondContact O-N 3.46Å; L12-A16 PolarHBondContact O-N 3.03Å
13	L	38.3	Very low	41.2	Very low	105 Å²	105	116 Å²	116	55%	0.55	64%	0.641	S	S	.	*	H	α-helix	trans	-75.7	-32.5	174.1	-76	161.2	0	0	0	112.3	L9 I10 L11 L17	L9-L13 PolarHBondContact O-N 3.12Å; I10-L13 PolarHBondContact O-N 3.39Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.29Å
14	S	41.6	Very low	41.9	Very low	64 Å²	64	111.8 Å²	111.8	45%	0.448	62%	0.621	S	S	.	*	H	α-helix	trans	-70.3	-32.9	173.3	-15.1	0	0	0	0	112.9	I10 L11 A18	I10-S14 PolarHBondContact O-N 3.37Å; I10-S14 VanDerWaalsContact O-N 3.08Å; I10-S14 PolarHBondContact O-OG 3.32Å; L11-S14 PolarHBondContact O-N 2.84Å; S14-A18 PolarHBondContact O-N 3.27Å
15	G	37.5	Very low	43.5	Very low	41 Å²	41	103.8 Å²	103.8	42%	0.423	59%	0.586	S	S	.	*	H	α-helix	trans	-69.3	-35.8	175.2	0	0	0	0	0	113	L11	L11-G15 PolarHBondContact O-N 3.08Å; L11-G15 VanDerWaalsContact O-N 3.12Å
16	A	36.3	Very low	45.7	Very low	58 Å²	58	104.5 Å²	104.5	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-76.9	-32.7	176.4	0	0	0	0	0	113	L12 A18 L19	L12-A16 PolarHBondContact O-N 3.03Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.49Å; A16-L19 PolarHBondContact O-N 3.29Å
17	L	35.2	Very low	48.2	Very low	127 Å²	127	102.6 Å²	102.6	67%	0.665	57%	0.571	S	S	*	*	H	α-helix	trans	-73.9	-19.3	176.8	-78.8	162.5	0	0	0	113.5	L13 L19	L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.29Å; L17-L19 VanDerWaalsContact C-N 3.31Å
18	A	38	Very low	50.5	Low	83 Å²	83	93 Å²	93	69%	0.686	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.7	171.8	0	0	0	0	0	113.3	S14 A16	S14-A18 PolarHBondContact O-N 3.27Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.49Å
19	L	38.6	Very low	52.8	Low	145 Å²	145	88.2 Å²	88.2	76%	0.759	51%	0.509	S	S	*	.	S	Bend	trans	-105.5	5.8	-176.7	-95.3	152	0	0	0	113.5	A16 L17	A16-L19 PolarHBondContact O-N 3.29Å; L17-L19 VanDerWaalsContact C-N 3.31Å
20	T	33.3	Very low	55.5	Low	95 Å²	95	85.4 Å²	85.4	58%	0.583	49%	0.491	S	S	*	.			trans	-129.7	45.1	175.3	63.8	0	0	0	0	110.8	T22	T20-T22 PolarHBondContact O-N 2.9Å; T20-T22 VanDerWaalsContact O-N 3.08Å
21	E	35.6	Very low	57.9	Low	174 Å²	174	80.9 Å²	80.9	81%	0.813	47%	0.467	S	S	*	.			trans	-64.9	103.8	145.7	-96.5	-175.4	164.9	0	0	105.5	W23	E21-W23 PolarHBondContact O-N 3.18Å
22	T	36.9	Very low	60.3	Low	116 Å²	116	78.9 Å²	78.9	71%	0.712	45%	0.453	S	S	*	.			trans	-48.6	116.1	168.1	44.9	0	0	0	0	107.7	T20 A24	T20-T22 PolarHBondContact O-N 2.9Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T22-A24 PolarHBondContact O-N 2.99Å
23	W	46.8	Very low	63	Low	164 Å²	164	72.7 Å²	72.7	62%	0.621	42%	0.421	S	S	*	.			trans	-61.7	49.1	171.7	-71	84.8	0	0	0	112.4	E21 G25 E288	E21-W23 PolarHBondContact O-N 3.18Å; W23-G25 VanDerWaalsContact C-N 3.29Å; W23-G25 PolarHBondContact O-N 2.87Å; W23-E288 HydrophobicContact CD2-CG 4.21Å; W23-E288 HydrophobicContact CE3-CB 3.66Å; W23-E288 HydrophobicContact CE3-CG 3.18Å; W23-E288 HydrophobicContact CH2-CB 3.68Å; W23-E288 HydrophobicContact CH2-CG 4.2Å; W23-E288 HydrophobicContact CZ3-CB 3.08Å; W23-E288 VanDerWaalsContact CZ3-CD 3.45Å; W23-E288 HydrophobicContact CZ3-CG 3.22Å
24	A	53.3	Low	65.9	Low	52 Å²	52	69.8 Å²	69.8	43%	0.43	41%	0.408	S	S	.	.			trans	-80.3	92.4	152.9	0	0	0	0	0	104.2	T22 P129	T22-A24 PolarHBondContact O-N 2.99Å; A24-P129 HydrophobicContact CB-CB 3.89Å; A24-P129 WeakPolarHBondContact O-CB 3.47Å; A24-P129 WeakPolarHBondContact O-CG 3.38Å
25	G	75.3	Confident	68.6	Low	16 Å²	16	66.9 Å²	66.9	17%	0.165	39%	0.388	C	S	.	.			trans	-54.7	144.4	-170.2	0	0	0	0	0	112.8	W23 H27	W23-G25 VanDerWaalsContact C-N 3.29Å; W23-G25 PolarHBondContact O-N 2.87Å; G25-H27 PolarHBondContact O-CD2 2.66Å; G25-H27 VanDerWaalsContact O-CD2 3.24Å
26	S	90.5	Very high	71.5	Confident	82 Å²	82	67.1 Å²	67.1	57%	0.573	38%	0.381	S	S	*	.			trans	-68.5	140.7	160.8	55.2	0	0	0	0	108.9	L127	S26-L127 CarbonylContact C-O 3.54Å; S26-L127 VanDerWaalsContact CA-O 3.24Å; S26-L127 WeakPolarHBondContact CA-O 3.42Å; S26-L127 WeakPolarHBondContact CB-O 3.43Å
27	H	95.4	Very high	74.2	Confident	32 Å²	32	65.2 Å²	65.2	15%	0.148	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.7	-179.9	-67.8	-77.2	0	0	0	110.9	G25 D53 D126 L127 L192 L196	G25-H27 PolarHBondContact O-CD2 2.66Å; G25-H27 VanDerWaalsContact O-CD2 3.24Å; H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 2.95Å; H27-D53 IonicContact CE1-OD2 3.54Å; H27-D53 IonicContact CG-OD2 3.11Å; H27-D53 IonicContact ND1-OD1 2.73Å; H27-D53 IonicContact ND1-OD2 2.68Å; H27-D53 PolarHBondContact ND1-OD2 2.71Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; H27-L127 PolarHBondContact N-O 2.87Å; H27-L127 PolarHBondContact O-N 3.41Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å
28	S	97.4	Very high	76.8	Confident	23 Å²	23	66 Å²	66	16%	0.161	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.7	179.8	68.3	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.31Å; S28-D53 PolarHBondContact N-OD1 3.28Å; S28-D53 PolarHBondContact O-N 3.06Å; S28-D53 PolarHBondContact OG-OD1 2.92Å; S28-C125 WeakPolarHBondContact CA-O 3.4Å; S28-D126 WeakPolarHBondContact CB-OD1 3.41Å
29	M	98.5	Very high	78.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.3	167.5	-174.4	171.9	59.2	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 3.98Å; M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.37Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.49Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.48Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.32Å; M29-C188 WeakPolarHBondContact CE-SG 3.37Å; M29-W191 HydrophobicContact CE-CB 4.1Å; M29-W191 HydrophobicContact SD-CB 4.46Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; 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 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å
30	R	98.6	Very high	80.7	Confident	48 Å²	48	61.6 Å²	61.6	18%	0.181	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.3	-175.6	-56.9	-62.3	-177	74.2	1.7	110.6	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-G50 CarbonylContact O-C 3.5Å; R30-G50 WeakPolarHBondContact O-CA 3.2Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 2.72Å; R30-D126 IonicContact CZ-OD1 3.62Å; R30-D126 VanDerWaalsContact CZ-OD1 3.31Å; R30-D126 IonicContact NE-OD1 3.35Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 IonicContact NH2-OD1 3.88Å; R30-D126 PolarHBondContact NH2-OD1 3.31Å; R30-D126 IonicContact NH2-OD2 3.71Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; R30-Y137 PolarHBondContact NH2-OH 3.08Å
31	Y	98.7	Very high	83.1	Confident	12 Å²	12	66.4 Å²	66.4	5%	0.047	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.2	170	-70.4	-90.1	0	0	0	109.4	M29 V49 F57 V58 M122 F123	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 3.98Å; Y31-V49 WeakPolarHBondContact CA-O 3.47Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.4Å; Y31-V58 HydrophobicContact CE1-CG2 3.94Å; Y31-M122 WeakPolarHBondContact O-CA 3.4Å; Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 VanDerWaalsContact CB-CZ 3.47Å; Y31-F123 HydrophobicContact CD2-CD2 4.47Å; Y31-F123 AromaticContact CD2-CE2 3.78Å; Y31-F123 HydrophobicContact CD2-CE2 3.78Å; Y31-F123 AromaticContact CD2-CZ 3.93Å; Y31-F123 HydrophobicContact CD2-CZ 3.93Å; Y31-F123 HydrophobicContact CG-CE1 4.27Å; Y31-F123 HydrophobicContact CG-CE2 4.11Å; Y31-F123 AromaticContact CG-CZ 3.77Å; Y31-F123 HydrophobicContact CG-CZ 3.77Å; Y31-F123 PolarHBondContact N-O 3.03Å; Y31-F123 PolarHBondContact O-N 3.4Å
32	F	98.8	Very high	85.4	Confident	85 Å²	85	60.9 Å²	60.9	37%	0.373	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.7	175	-56.2	-95.8	0	0	0	108.3	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-A48 CarbonylContact O-C 3.52Å; F32-A48 VanDerWaalsContact O-CA 3.3Å; F32-A48 WeakPolarHBondContact O-CA 3.39Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.89Å; F32-V49 PolarHBondContact O-N 3.01Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 WeakPolarHBondContact CA-O 3.43Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.95Å
33	S	98.6	Very high	88	Confident	5 Å²	5	60.3 Å²	60.3	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.3	170.5	62.4	0	0	0	0	111.2	I47 Q120 R121	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.23Å; S33-I47 WeakPolarHBondContact CA-O 3.37Å; S33-Q120 CarbonylContact O-C 3.58Å; S33-Q120 VanDerWaalsContact O-CA 3.3Å; S33-Q120 WeakPolarHBondContact O-CA 3.35Å; S33-R121 PolarHBondContact N-O 3.36Å; S33-R121 PolarHBondContact O-N 2.95Å
34	T	98.8	Very high	90.3	Very high	44 Å²	44	53.7 Å²	53.7	27%	0.27	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.2	178.9	-56.6	0	0	0	0	109	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.96Å; T34-F46 WeakPolarHBondContact O-CA 3.47Å; T34-I47 PolarHBondContact N-O 2.85Å; T34-I47 PolarHBondContact O-N 2.87Å; T34-T118 HydrophobicContact CG2-CG2 3.85Å; T34-L119 WeakPolarHBondContact CA-O 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å
35	S	98.4	Very high	92.3	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.014	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.6	174	-71.7	0	0	0	0	109.8	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.56Å; S35-R45 VanDerWaalsContact CA-O 3.27Å; S35-R45 WeakPolarHBondContact CA-O 3.23Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.45Å; S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 3.33Å; S35-T118 CarbonylContact O-C 3.59Å; S35-T118 WeakPolarHBondContact O-CA 3.45Å; S35-L119 PolarHBondContact N-O 2.92Å; S35-L119 PolarHBondContact O-N 2.97Å
36	V	97.8	Very high	93.4	Very high	46 Å²	46	55.1 Å²	55.1	28%	0.279	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.2	-179.5	-173.3	0	0	0	0	109.4	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.96Å; V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.12Å; V36-P44 WeakPolarHBondContact O-CB 3.12Å; V36-R45 PolarHBondContact N-O 3.35Å; V36-R45 PolarHBondContact O-N 2.83Å; V36-H117 WeakPolarHBondContact CA-O 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.29Å
37	S	94.8	Very high	93.8	Very high	19 Å²	19	53.7 Å²	53.7	13%	0.133	29%	0.287	C	S	.	.			trans	-75.5	136.1	171.2	62.3	0	0	0	0	110.4	S116 H117	S37-S116 WeakPolarHBondContact O-CA 3.27Å; S37-S116 VanDerWaalsContact O-CB 3.31Å; S37-S116 WeakPolarHBondContact O-CB 3.39Å; S37-S116 PolarHBondContact O-OG 3.39Å; S37-H117 PolarHBondContact N-O 2.94Å; S37-H117 PolarHBondContact OG-N 3.4Å; S37-H117 PolarHBondContact OG-O 3.48Å
38	W	88.2	Confident	94	Very high	144 Å²	144	52.4 Å²	52.4	55%	0.545	28%	0.281	S	S	.	.			trans	-128.4	96	171.3	-160.8	-54.3	0	0	0	109.9	G40 R41	W38-G40 PolarHBondContact O-N 3.43Å; W38-R41 HydrophobicContact CB-CB 4.11Å; W38-R41 HydrophobicContact CG-CB 3.86Å; W38-R41 HydrophobicContact CG-CG 4.02Å; W38-R41 VanDerWaalsContact NE1-CD 3.26Å; W38-R41 PolarHBondContact O-N 2.8Å; W38-R41 VanDerWaalsContact O-N 3.07Å
39	P	81	Confident	94	Very high	46 Å²	46	52.6 Å²	52.6	30%	0.299	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	129.7	178.5	-27.6	37	0	0	0	111.8	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 3.12Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; P39-G115 WeakPolarHBondContact CG-O 3.34Å
40	G	78.7	Confident	94	Very high	89 Å²	89	52.6 Å²	52.6	92%	0.918	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	0.1	-179.7	0	0	0	0	0	116.3	W38	W38-G40 PolarHBondContact O-N 3.43Å
41	R	82.4	Confident	94	Very high	195 Å²	195	53.6 Å²	53.6	74%	0.736	29%	0.286	S	S	*	.	S	Bend	trans	-116.1	14.2	176.3	-65.8	-167.3	-174	-126.4	-1	114.9	W38 P39	W38-R41 HydrophobicContact CB-CB 4.11Å; W38-R41 HydrophobicContact CG-CB 3.86Å; W38-R41 HydrophobicContact CG-CG 4.02Å; W38-R41 VanDerWaalsContact NE1-CD 3.26Å; W38-R41 PolarHBondContact O-N 2.8Å; W38-R41 VanDerWaalsContact O-N 3.07Å; P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 3.12Å
42	G	84.6	Confident	94	Very high	58 Å²	58	53 Å²	53	60%	0.598	28%	0.284	S	S	*	.	S	Bend	trans	108.2	-149.6	176	0	0	0	0	0	112.8
43	E	90.8	Very high	93.9	Very high	104 Å²	104	50.3 Å²	50.3	49%	0.486	27%	0.273	S	S	.	.	S	Bend	trans	-76	155.5	179.7	-64.7	-56.3	162.9	0	0	112.2	R45 R99	E43-R45 PolarHBondContact O-N 2.89Å; E43-R99 VanDerWaalsContact CD-NE 3.26Å; E43-R99 VanDerWaalsContact CD-NH2 3.28Å; E43-R99 IonicContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 3.32Å; E43-R99 PolarHBondContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.49Å; E43-R99 IonicContact OE1-NH2 3.2Å; E43-R99 PolarHBondContact OE1-NH2 2.74Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.04Å; E43-R99 IonicContact OE2-NE 3.41Å; E43-R99 PolarHBondContact OE2-NE 3.45Å; E43-R99 IonicContact OE2-NH1 3.57Å; E43-R99 IonicContact OE2-NH2 3.37Å; E43-R99 PolarHBondContact OE2-NH2 2.74Å
44	P	94.9	Very high	93.7	Very high	25 Å²	25	53.1 Å²	53.1	16%	0.162	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-55.6	130.2	172.9	-24.8	34.8	0	0	0	111.3	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.12Å; V36-P44 WeakPolarHBondContact O-CB 3.12Å; P44-F46 PolarHBondContact O-N 3.11Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.29Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.78Å
45	R	97.1	Very high	93.6	Very high	96 Å²	96	51.6 Å²	51.6	36%	0.362	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130	173.5	-178.9	-179.8	-174.3	-179.6	-3.8	108.8	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.56Å; S35-R45 VanDerWaalsContact CA-O 3.27Å; S35-R45 WeakPolarHBondContact CA-O 3.23Å; V36-R45 PolarHBondContact N-O 3.35Å; V36-R45 PolarHBondContact O-N 2.83Å; E43-R45 PolarHBondContact O-N 2.89Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; R45-D61 IonicContact CZ-OD1 2.59Å; R45-D61 IonicContact CZ-OD2 2.6Å; R45-D61 IonicContact NE-OD1 3.45Å; R45-D61 PolarHBondContact NE-OD1 3.26Å; R45-D61 IonicContact NE-OD2 3.87Å; R45-D61 IonicContact NH2-OD1 3.58Å; R45-D61 PolarHBondContact NH2-OD1 2.66Å; R45-D61 IonicContact NH2-OD2 3.3Å; R45-D61 PolarHBondContact NH2-OD2 3.11Å; R45-S62 WeakPolarHBondContact CA-OG 3.35Å; R45-D63 WeakPolarHBondContact CD-OD2 3.17Å; R45-D63 WeakPolarHBondContact CG-OD2 3.32Å; R45-D63 IonicContact NE-OD2 3.7Å
46	F	98.4	Very high	93.6	Very high	3 Å²	3	54 Å²	54	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.7	177.2	176.1	-89.4	0	0	0	109.9	T34 S35 P44 A48 F60 S62 Y91 Q94 A95 D98	T34-F46 WeakPolarHBondContact O-CA 3.47Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.45Å; P44-F46 PolarHBondContact O-N 3.11Å; F46-A48 HydrophobicContact CE1-CB 3.65Å; F46-A48 HydrophobicContact CZ-CB 3.82Å; F46-F60 AromaticContact CD1-CD1 3.62Å; F46-F60 HydrophobicContact CD1-CD1 3.62Å; F46-F60 AromaticContact CD1-CE1 3.73Å; F46-F60 HydrophobicContact CD1-CE1 3.73Å; F46-F60 AromaticContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; F46-S62 PolarHBondContact N-OG 3.25Å; F46-S62 PolarHBondContact O-N 3.31Å; F46-S62 PolarHBondContact O-OG 2.8Å; F46-Y91 HydrophobicContact CE1-CD1 4.3Å; F46-Q94 HydrophobicContact CE2-CB 4.13Å; F46-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CZ-CB 3.94Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.87Å; F46-A95 HydrophobicContact CD2-CB 3.96Å; F46-A95 HydrophobicContact CG-CB 3.55Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.49Å
47	I	98.6	Very high	93.6	Very high	52 Å²	52	51.8 Å²	51.8	27%	0.267	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.3	172.5	-61.8	166.5	0	0	0	107.8	S33 T34 R45 V49 F60	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.23Å; S33-I47 WeakPolarHBondContact CA-O 3.37Å; T34-I47 PolarHBondContact N-O 2.85Å; T34-I47 PolarHBondContact O-N 2.87Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.2Å
48	A	98.6	Very high	93.7	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.3	169.8	0	0	0	0	0	110.7	F32 F46 R59 F60 Y91	F32-A48 CarbonylContact O-C 3.52Å; F32-A48 VanDerWaalsContact O-CA 3.3Å; F32-A48 WeakPolarHBondContact O-CA 3.39Å; F46-A48 HydrophobicContact CE1-CB 3.65Å; F46-A48 HydrophobicContact CZ-CB 3.82Å; A48-R59 CarbonylContact O-C 3.49Å; A48-R59 WeakPolarHBondContact O-CA 3.38Å; A48-F60 HydrophobicContact CB-CB 4.38Å; A48-F60 PolarHBondContact N-O 2.79Å; A48-F60 PolarHBondContact O-N 2.95Å; A48-Y91 HydrophobicContact CB-CD1 3.69Å; A48-Y91 HydrophobicContact CB-CE1 3.67Å
49	V	98.8	Very high	94.2	Very high	28 Å²	28	48 Å²	48	17%	0.17	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.6	175.9	-63	0	0	0	0	109.5	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.89Å; F32-V49 PolarHBondContact O-N 3.01Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.6	Very high	95	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139	176.9	0	0	0	0	0	110.4	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.5Å; R30-G50 WeakPolarHBondContact O-CA 3.2Å; G50-Q56 CarbonylContact O-C 3.58Å; G50-Q56 WeakPolarHBondContact O-CA 3.38Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.5Å; G50-V58 PolarHBondContact N-O 2.99Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.88Å
51	Y	98.5	Very high	96	Very high	69 Å²	69	42.6 Å²	42.6	27%	0.271	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.7	179	-74.8	-103	0	0	0	110	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.37Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 2.72Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 VanDerWaalsContact CA-O 3.32Å; Y51-T55 WeakPolarHBondContact CA-O 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 3.96Å; Y51-Q56 VanDerWaalsContact CD1-N 3.35Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.44Å; Y51-Q56 PolarHBondContact OH-OE1 3.45Å
52	V	98.1	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120	155.7	177.9	0	0	0	0	105.5	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.31Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 3.02Å; V52-T55 PolarHBondContact N-O 2.96Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.04Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CG2-CH2 4Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.03Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.9	Very high	97.2	Very high	28 Å²	28	37 Å²	37	15%	0.15	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-123.1	-167.8	-54	-40.8	0	0	0	110.8	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 2.95Å; H27-D53 IonicContact CE1-OD2 3.54Å; H27-D53 IonicContact CG-OD2 3.11Å; H27-D53 IonicContact ND1-OD1 2.73Å; H27-D53 IonicContact ND1-OD2 2.68Å; H27-D53 PolarHBondContact ND1-OD2 2.71Å; S28-D53 PolarHBondContact N-OD1 3.28Å; S28-D53 PolarHBondContact O-N 3.06Å; S28-D53 PolarHBondContact OG-OD1 2.92Å
54	D	95.6	Very high	97.4	Very high	64 Å²	64	33.7 Å²	33.7	34%	0.342	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9.5	179.5	-64	-54	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.02Å; D54-Y233 HydrophobicContact CB-CE2 4.08Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 3.06Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.71Å
55	T	96.4	Very high	97.5	Very high	11 Å²	11	38.1 Å²	38.1	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.3	-175.2	-58.7	0	0	0	0	111.5	Y51 V52 F57 E73 L203 Y233	Y51-T55 VanDerWaalsContact CA-O 3.32Å; Y51-T55 WeakPolarHBondContact CA-O 3.32Å; V52-T55 PolarHBondContact N-O 2.96Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.04Å; T55-F57 PolarHBondContact O-N 2.94Å; T55-E73 HydrophobicContact CG2-CG 3.62Å; T55-E73 VanDerWaalsContact CG2-OE1 3.3Å; T55-E73 WeakPolarHBondContact CG2-OE1 3.04Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.47Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å
56	Q	97.3	Very high	97.4	Very high	52 Å²	52	37.3 Å²	37.3	24%	0.243	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.6	175.8	-169.2	-177.4	-11.5	0	0	110.4	V49 G50 Y51 V58 R72 E73	V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; G50-Q56 CarbonylContact O-C 3.58Å; G50-Q56 WeakPolarHBondContact O-CA 3.38Å; Y51-Q56 HydrophobicContact CD1-CB 3.96Å; Y51-Q56 VanDerWaalsContact CD1-N 3.35Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.44Å; Y51-Q56 PolarHBondContact OH-OE1 3.45Å; Q56-V58 PolarHBondContact NE2-O 2.79Å; Q56-V58 VanDerWaalsContact NE2-O 3.15Å; Q56-R72 HydrophobicContact CG-CB 4.47Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 VanDerWaalsContact O-CB 3.23Å; Q56-R72 WeakPolarHBondContact O-CB 3.15Å; Q56-E73 WeakPolarHBondContact O-CG 3.32Å
57	F	97.7	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-20.8	-178.3	75.2	-82.2	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 E73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.4Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.5Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 2.94Å; F57-R72 PolarHBondContact O-N 2.95Å; F57-E73 HydrophobicContact CB-CB 4.41Å; F57-E73 HydrophobicContact CB-CG 4.27Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.13Å; F57-W75 AromaticContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CZ3 4.07Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.17Å; F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.44Å; F57-V76 HydrophobicContact CD2-CG2 4.07Å; F57-V76 WeakPolarHBondContact O-CG1 3.11Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.82Å; F57-Y195 HydrophobicContact CZ-CD2 4.24Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å
58	V	98.1	Very high	97.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.9	178.2	-73.9	0	0	0	0	113	Y31 V49 G50 Q56 E70 W84	Y31-V58 HydrophobicContact CE1-CG2 3.94Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; G50-V58 PolarHBondContact N-O 2.99Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.88Å; Q56-V58 PolarHBondContact NE2-O 2.79Å; Q56-V58 VanDerWaalsContact NE2-O 3.15Å; V58-E70 WeakPolarHBondContact CA-O 3.34Å; V58-W84 HydrophobicContact CG1-CH2 3.88Å; V58-W84 HydrophobicContact CG1-CZ3 3.88Å
59	R	98.3	Very high	97.1	Very high	84 Å²	84	43.8 Å²	43.8	32%	0.317	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.2	170.4	-179.4	170.6	166.1	-177.7	-2.7	111.3	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.49Å; A48-R59 WeakPolarHBondContact O-CA 3.38Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 3.32Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; R59-E70 PolarHBondContact N-O 3.23Å; R59-E70 PolarHBondContact O-N 3.44Å; R59-R72 HydrophobicContact CB-CG 4.2Å
60	F	98.6	Very high	97.1	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.5	165.7	178.2	-83.7	0	0	0	109.3	F46 I47 A48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.62Å; F46-F60 HydrophobicContact CD1-CD1 3.62Å; F46-F60 AromaticContact CD1-CE1 3.73Å; F46-F60 HydrophobicContact CD1-CE1 3.73Å; F46-F60 AromaticContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; I47-F60 WeakPolarHBondContact CA-O 3.2Å; A48-F60 HydrophobicContact CB-CB 4.38Å; A48-F60 PolarHBondContact N-O 2.79Å; A48-F60 PolarHBondContact O-N 2.95Å; F60-P67 HydrophobicContact CE2-CB 3.94Å; F60-P67 HydrophobicContact CZ-CB 3.7Å; F60-Y91 HydrophobicContact CB-CD1 4.2Å; F60-Y91 HydrophobicContact CB-CD2 3.64Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.33Å; F60-Y91 AromaticContact CD2-CD2 3.67Å; F60-Y91 HydrophobicContact CD2-CD2 3.67Å; F60-Y91 AromaticContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CG-CD1 4.49Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.1Å
61	D	98.4	Very high	97	Very high	16 Å²	16	47.5 Å²	47.5	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	121.9	176.5	-161.8	-27.4	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.59Å; R45-D61 IonicContact CZ-OD2 2.6Å; R45-D61 IonicContact NE-OD1 3.45Å; R45-D61 PolarHBondContact NE-OD1 3.26Å; R45-D61 IonicContact NE-OD2 3.87Å; R45-D61 IonicContact NH2-OD1 3.58Å; R45-D61 PolarHBondContact NH2-OD1 2.66Å; R45-D61 IonicContact NH2-OD2 3.3Å; R45-D61 PolarHBondContact NH2-OD2 3.11Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 3.32Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 2.88Å; D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.25Å; D61-A64 PolarHBondContact O-N 2.83Å
62	S	97.2	Very high	96.9	Very high	33 Å²	33	49.2 Å²	49.2	23%	0.231	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.4	-179.7	62.9	0	0	0	0	113.4	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.35Å; F46-S62 PolarHBondContact N-OG 3.25Å; F46-S62 PolarHBondContact O-N 3.31Å; F46-S62 PolarHBondContact O-OG 2.8Å; S62-A64 VanDerWaalsContact C-N 3.33Å; S62-P67 WeakPolarHBondContact O-CG 3.45Å
63	D	95.6	Very high	96.8	Very high	104 Å²	104	51.4 Å²	51.4	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.3	-176.3	-70.7	10.7	0	0	0	112.3	R45 D61	R45-D63 WeakPolarHBondContact CD-OD2 3.17Å; R45-D63 WeakPolarHBondContact CG-OD2 3.32Å; R45-D63 IonicContact NE-OD2 3.7Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 2.88Å
64	A	95.6	Very high	96.8	Very high	33 Å²	33	54.4 Å²	54.4	27%	0.273	30%	0.301	S	S	.	.	S	Bend	trans	-61.8	148.3	172.3	0	0	0	0	0	110.6	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.25Å; D61-A64 PolarHBondContact O-N 2.83Å; S62-A64 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 2.92Å; A64-S66 VanDerWaalsContact O-N 3.12Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.17Å
65	A	95.3	Very high	96.8	Very high	118 Å²	118	52 Å²	52	98%	0.975	29%	0.287	S	S	*	.	S	Bend	trans	-58	-30.5	179.2	0	0	0	0	0	113.1
66	S	95.1	Very high	96.8	Very high	80 Å²	80	51.5 Å²	51.5	56%	0.559	28%	0.284	S	S	*	.	S	Bend	trans	-134.3	89.4	171.7	-168.6	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 2.92Å; A64-S66 VanDerWaalsContact O-N 3.12Å; S66-R68 PolarHBondContact O-N 3.28Å
67	P	96.4	Very high	96.6	Very high	37 Å²	37	54.8 Å²	54.8	24%	0.24	30%	0.3	C	S	.	.			trans	-64.8	111	-175	-24.3	35.6	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.94Å; F60-P67 HydrophobicContact CZ-CB 3.7Å; S62-P67 WeakPolarHBondContact O-CG 3.45Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.17Å; P67-K92 WeakPolarHBondContact O-CE 3.24Å; P67-K92 PolarHBondContact O-NZ 3.01Å
68	R	97.4	Very high	96.4	Very high	151 Å²	151	60.5 Å²	60.5	57%	0.57	33%	0.326	S	S	*	.			trans	-146	159.4	177.3	63.9	-175.2	173.9	176	-0.3	110.9	S66 E70 T88	S66-R68 PolarHBondContact O-N 3.28Å; R68-E70 HydrophobicContact CG-CG 4.42Å; R68-E70 PolarHBondContact O-N 3.19Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	G	97	Very high	96.3	Very high	6 Å²	6	61 Å²	61	6%	0.062	33%	0.329	C	S	.	.			trans	-65.2	128.9	169	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 3.47Å
70	E	97.2	Very high	96.1	Very high	62 Å²	62	58.7 Å²	58.7	29%	0.29	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.1	-179.4	-65.1	177.5	164.2	0	0	109.6	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.34Å; R59-E70 PolarHBondContact N-O 3.23Å; R59-E70 PolarHBondContact O-N 3.44Å; R68-E70 HydrophobicContact CG-CG 4.42Å; R68-E70 PolarHBondContact O-N 3.19Å; E70-R72 IonicContact OE2-CZ 2.86Å; E70-R72 IonicContact OE2-NH2 2.76Å; E70-R72 PolarHBondContact OE2-NH2 3.16Å
71	P	97.6	Very high	96	Very high	45 Å²	45	63.3 Å²	63.3	29%	0.292	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	148.9	171.1	28.1	-32.9	0	0	0	110.5	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.81Å; P71-E77 HydrophobicContact CB-CG 3.56Å; P71-E77 HydrophobicContact CG-CG 3.72Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.74Å; P71-W84 HydrophobicContact CG-CH2 4.18Å; P71-W84 HydrophobicContact CG-CZ2 4.15Å
72	R	96.9	Very high	95.9	Very high	104 Å²	104	70.2 Å²	70.2	39%	0.392	39%	0.393	S	S	.	.			trans	-122.9	-6.8	173.1	-61.3	-65.6	166.6	175.5	-6	112.9	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.47Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 VanDerWaalsContact O-CB 3.23Å; Q56-R72 WeakPolarHBondContact O-CB 3.15Å; F57-R72 PolarHBondContact O-N 2.95Å; R59-R72 HydrophobicContact CB-CG 4.2Å; E70-R72 IonicContact OE2-CZ 2.86Å; E70-R72 IonicContact OE2-NH2 2.76Å; E70-R72 PolarHBondContact OE2-NH2 3.16Å
73	E	95.7	Very high	95.9	Very high	46 Å²	46	69.1 Å²	69.1	22%	0.215	38%	0.384	C	S	.	.	S	Bend	trans	-136.6	143.7	178.5	-72.2	-64	152.3	0	0	111.4	T55 Q56 F57 W75 V76 E77	T55-E73 HydrophobicContact CG2-CG 3.62Å; T55-E73 VanDerWaalsContact CG2-OE1 3.3Å; T55-E73 WeakPolarHBondContact CG2-OE1 3.04Å; Q56-E73 WeakPolarHBondContact O-CG 3.32Å; F57-E73 HydrophobicContact CB-CB 4.41Å; F57-E73 HydrophobicContact CB-CG 4.27Å; E73-W75 VanDerWaalsContact C-N 3.28Å; E73-W75 HydrophobicContact CB-CD2 4.09Å; E73-W75 HydrophobicContact CB-CG 4.26Å; E73-W75 HydrophobicContact CB-CZ2 3.96Å; E73-W75 VanDerWaalsContact CB-NE1 3.33Å; E73-W75 HydrophobicContact CG-CZ2 4Å; E73-W75 PolarHBondContact O-N 3.34Å; E73-V76 HydrophobicContact CB-CG1 4.44Å; E73-V76 WeakPolarHBondContact O-CG1 3.39Å; E73-V76 PolarHBondContact O-N 3.38Å; E73-E77 PolarHBondContact O-N 2.83Å
74	P	95.3	Very high	96	Very high	91 Å²	91	66 Å²	66	59%	0.591	36%	0.364	S	S	*	.	H	α-helix	trans	-58.4	-35.7	-179	-25.8	34.7	0	0	0	114.1	V76 E77	P74-V76 PolarHBondContact O-N 2.99Å; P74-E77 WeakPolarHBondContact O-CB 3.24Å; P74-E77 PolarHBondContact O-N 3.13Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	95.3	Very high	96.1	Very high	14 Å²	14	69.5 Å²	69.5	5%	0.053	38%	0.379	C	S	.	.	H	α-helix	trans	-71.1	-13.5	-176.3	54.5	-104.5	0	0	0	114.1	V52 F57 E73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CG2-CH2 4Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.13Å; F57-W75 AromaticContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CZ3 4.07Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.17Å; E73-W75 VanDerWaalsContact C-N 3.28Å; E73-W75 HydrophobicContact CB-CD2 4.09Å; E73-W75 HydrophobicContact CB-CG 4.26Å; E73-W75 HydrophobicContact CB-CZ2 3.96Å; E73-W75 VanDerWaalsContact CB-NE1 3.33Å; E73-W75 HydrophobicContact CG-CZ2 4Å; E73-W75 PolarHBondContact O-N 3.34Å; W75-Q78 VanDerWaalsContact O-CG 3.3Å; W75-Q78 WeakPolarHBondContact O-CG 3.37Å; W75-Q78 PolarHBondContact O-NE2 3.33Å; W75-Y195 HydrophobicContact CE3-CD1 4.3Å; W75-Y195 HydrophobicContact CH2-CG 4.29Å; W75-Y195 AromaticContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 HydrophobicContact CZ3-CE1 4.44Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; W75-N198 HydrophobicContact CB-CB 4.37Å; W75-N198 WeakPolarHBondContact CB-O 3.49Å; W75-L203 HydrophobicContact CH2-CD1 4.27Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.12Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å
76	V	96.4	Very high	96.2	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-97.2	-20	170.3	69.9	0	0	0	0	112.1	F57 P71 E73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.44Å; F57-V76 HydrophobicContact CD2-CG2 4.07Å; F57-V76 WeakPolarHBondContact O-CG1 3.11Å; P71-V76 HydrophobicContact CB-CG1 3.81Å; E73-V76 HydrophobicContact CB-CG1 4.44Å; E73-V76 WeakPolarHBondContact O-CG1 3.39Å; E73-V76 PolarHBondContact O-N 3.38Å; P74-V76 PolarHBondContact O-N 2.99Å; V76-Q78 PolarHBondContact O-N 3.24Å; V76-E79 HydrophobicContact CG2-CG 4.06Å; V76-E79 WeakPolarHBondContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CG 3.17Å; V76-E79 PolarHBondContact O-N 3.16Å; V76-Y83 HydrophobicContact CG2-CE1 4.15Å; V76-W84 HydrophobicContact CG1-CH2 4.2Å; V76-W84 HydrophobicContact CG1-CZ2 4.38Å; V76-W84 HydrophobicContact CG2-CH2 3.94Å; V76-W84 HydrophobicContact CG2-CZ2 3.97Å; V76-W84 WeakPolarHBondContact O-CZ2 3.19Å; V76-Y195 HydrophobicContact CG2-CE1 4.42Å
77	E	94.2	Very high	96.3	Very high	121 Å²	121	65.9 Å²	65.9	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-60.7	-29.1	177.7	-67.8	-176.8	173.9	0	0	112.8	P71 E73 P74 E79	P71-E77 HydrophobicContact CB-CG 3.56Å; P71-E77 HydrophobicContact CG-CG 3.72Å; E73-E77 PolarHBondContact O-N 2.83Å; P74-E77 WeakPolarHBondContact O-CB 3.24Å; P74-E77 PolarHBondContact O-N 3.13Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.81Å
78	Q	93.1	Very high	96.4	Very high	121 Å²	121	64.6 Å²	64.6	57%	0.565	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.3	176.1	65.4	179.9	12.5	0	0	114.2	W75 V76 N198	W75-Q78 VanDerWaalsContact O-CG 3.3Å; W75-Q78 WeakPolarHBondContact O-CG 3.37Å; W75-Q78 PolarHBondContact O-NE2 3.33Å; V76-Q78 PolarHBondContact O-N 3.24Å; Q78-N198 VanDerWaalsContact NE2-CB 3.32Å; Q78-N198 PolarHBondContact NE2-ND2 3.34Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å
79	E	95.4	Very high	96.4	Very high	12 Å²	12	62.2 Å²	62.2	6%	0.056	32%	0.315	C	S	.	.	S	Bend	trans	-65.4	136.4	173.6	-66.3	-62.1	155	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 4.06Å; V76-E79 WeakPolarHBondContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CG 3.17Å; V76-E79 PolarHBondContact O-N 3.16Å; E77-E79 PolarHBondContact O-N 2.81Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CE1 4.3Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; E79-W84 PolarHBondContact O-NE1 2.91Å; E79-W84 VanDerWaalsContact O-NE1 3.1Å; E79-R194 VanDerWaalsContact CD-NH2 3.29Å; E79-R194 IonicContact OE1-CZ 3.97Å; E79-R194 VanDerWaalsContact OE1-CZ 3.32Å; E79-R194 IonicContact OE1-NE 3.57Å; E79-R194 PolarHBondContact OE1-NE 3.02Å; E79-R194 IonicContact OE1-NH2 3.33Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 2.68Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.34Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E79-N198 PolarHBondContact OE1-ND2 2.85Å
80	G	94.6	Very high	96.4	Very high	35 Å²	35	65.5 Å²	65.5	36%	0.361	33%	0.328	S	S	.	.			trans	-68.1	167.8	-174.1	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.94Å; G80-E82 VanDerWaalsContact O-N 3.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.2Å; G80-Y83 PolarHBondContact O-N 3.36Å; G80-W84 PolarHBondContact O-N 3.04Å
81	P	96	Very high	96.4	Very high	100 Å²	100	63.3 Å²	63.3	65%	0.649	32%	0.317	S	S	*	.	H	α-helix	trans	-57.4	-34.6	-178.1	22.6	-33.5	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.97Å; P81-W84 PolarHBondContact O-N 3.46Å; P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 3.35Å
82	E	96.8	Very high	96.5	Very high	162 Å²	162	65.2 Å²	65.2	76%	0.757	32%	0.32	S	S	*	.	H	α-helix	trans	-60.7	-34.8	177.3	-62.9	-177.4	178.6	0	0	113	G80 R86	G80-E82 PolarHBondContact O-N 2.94Å; G80-E82 VanDerWaalsContact O-N 3.17Å; E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 PolarHBondContact O-N 3.34Å
83	Y	96.9	Very high	96.5	Very high	9 Å²	9	67.7 Å²	67.7	4%	0.035	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-52.1	174.6	168.4	-93	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.15Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CE1 4.3Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; G80-Y83 WeakPolarHBondContact O-CB 3.2Å; G80-Y83 PolarHBondContact O-N 3.36Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.97Å; Y83-D85 PolarHBondContact O-N 2.62Å; Y83-R86 PolarHBondContact O-N 3.11Å; Y83-E87 HydrophobicContact CD1-CG 4.41Å; Y83-E87 HydrophobicContact CD2-CG 4.12Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.35Å; Y83-E87 PolarHBondContact O-N 2.75Å; Y83-W191 AromaticContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CH2 3.46Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 AromaticContact CE2-CH2 3.8Å; Y83-W191 HydrophobicContact CE2-CH2 3.8Å; Y83-W191 HydrophobicContact CE2-CZ2 4.44Å; 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 3.4Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å
84	W	97.6	Very high	96.6	Very high	38 Å²	38	67.4 Å²	67.4	14%	0.144	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-39.2	-177.8	-68.2	111.8	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.88Å; V58-W84 HydrophobicContact CG1-CZ3 3.88Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.74Å; P71-W84 HydrophobicContact CG-CH2 4.18Å; P71-W84 HydrophobicContact CG-CZ2 4.15Å; V76-W84 HydrophobicContact CG1-CH2 4.2Å; V76-W84 HydrophobicContact CG1-CZ2 4.38Å; V76-W84 HydrophobicContact CG2-CH2 3.94Å; V76-W84 HydrophobicContact CG2-CZ2 3.97Å; V76-W84 WeakPolarHBondContact O-CZ2 3.19Å; E79-W84 PolarHBondContact O-NE1 2.91Å; E79-W84 VanDerWaalsContact O-NE1 3.1Å; G80-W84 PolarHBondContact O-N 3.04Å; P81-W84 PolarHBondContact O-N 3.46Å; W84-T88 WeakPolarHBondContact O-CB 3.44Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 3.16Å
85	D	97.6	Very high	96.8	Very high	108 Å²	108	64.2 Å²	64.2	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-63.9	-47	174.3	-75.9	-22	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.62Å; D85-T88 PolarHBondContact O-N 3.27Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.34Å; D85-Q89 PolarHBondContact O-N 2.65Å
86	R	97.1	Very high	96.8	Very high	107 Å²	107	70 Å²	70	40%	0.404	34%	0.337	S	S	.	.	H	α-helix	trans	-62.5	-46.8	179	-176	179.7	66.6	-149.2	-5.8	112.1	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 PolarHBondContact O-N 3.34Å; Y83-R86 PolarHBondContact O-N 3.11Å; R86-Q89 PolarHBondContact O-N 3.25Å; R86-K90 WeakPolarHBondContact O-CG 3.38Å; R86-K90 PolarHBondContact O-N 2.97Å
87	E	97.2	Very high	96.9	Very high	14 Å²	14	71.8 Å²	71.8	7%	0.065	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-42.1	178.8	-65.4	-43.6	117	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.41Å; Y83-E87 HydrophobicContact CD2-CG 4.12Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.35Å; Y83-E87 PolarHBondContact O-N 2.75Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.68Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 2.71Å; E87-K90 IonicContact OE1-NZ 3.51Å; E87-K90 PolarHBondContact OE1-NZ 3.19Å; E87-K90 WeakPolarHBondContact OE2-CD 3.25Å; E87-K90 IonicContact OE2-NZ 3.24Å; E87-K90 PolarHBondContact OE2-NZ 3.11Å; E87-Y91 HydrophobicContact CB-CE2 4.1Å; E87-Y91 WeakPolarHBondContact O-CD2 3.41Å; E87-Y91 PolarHBondContact O-N 2.98Å
88	T	98.2	Very high	97	Very high	11 Å²	11	66 Å²	66	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-56.3	-44.3	173.5	-64.5	0	0	0	0	111.9	R68 G69 W84 D85 K90 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; G69-T88 PolarHBondContact N-OG1 3.47Å; W84-T88 WeakPolarHBondContact O-CB 3.44Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 3.16Å; D85-T88 PolarHBondContact O-N 3.27Å; T88-K90 VanDerWaalsContact C-N 3.34Å; T88-K90 PolarHBondContact O-N 2.96Å; T88-Y91 PolarHBondContact O-N 3.21Å; T88-K92 HydrophobicContact CG2-CD 4.21Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.85Å
89	Q	98.1	Very high	97.2	Very high	101 Å²	101	64.2 Å²	64.2	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-31	177.2	-67.9	-58.4	-26.5	0	0	113	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.34Å; D85-Q89 PolarHBondContact O-N 2.65Å; R86-Q89 PolarHBondContact O-N 3.25Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.68Å; Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 WeakPolarHBondContact O-CG 3.35Å; Q89-R93 PolarHBondContact O-N 3.04Å; Q89-R93 PolarHBondContact O-NE 2.93Å
90	K	97.3	Very high	97.2	Very high	75 Å²	75	66.6 Å²	66.6	33%	0.326	33%	0.328	S	S	.	.	H	α-helix	trans	-66.1	-46.2	172	-73.1	172.2	-179.7	171.7	0	110.9	R86 E87 T88 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.38Å; R86-K90 PolarHBondContact O-N 2.97Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 2.71Å; E87-K90 IonicContact OE1-NZ 3.51Å; E87-K90 PolarHBondContact OE1-NZ 3.19Å; E87-K90 WeakPolarHBondContact OE2-CD 3.25Å; E87-K90 IonicContact OE2-NZ 3.24Å; E87-K90 PolarHBondContact OE2-NZ 3.11Å; T88-K90 VanDerWaalsContact C-N 3.34Å; T88-K90 PolarHBondContact O-N 2.96Å; K90-K92 PolarHBondContact O-N 2.82Å; K90-R93 PolarHBondContact O-N 2.84Å; K90-Q94 PolarHBondContact O-N 2.88Å
91	Y	98.3	Very high	97.3	Very high	16 Å²	16	67.1 Å²	67.1	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-45.4	176.6	-64.1	-51.7	0	0	0	112	F46 A48 F60 E87 T88 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.3Å; A48-Y91 HydrophobicContact CB-CD1 3.69Å; A48-Y91 HydrophobicContact CB-CE1 3.67Å; F60-Y91 HydrophobicContact CB-CD1 4.2Å; F60-Y91 HydrophobicContact CB-CD2 3.64Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.33Å; F60-Y91 AromaticContact CD2-CD2 3.67Å; F60-Y91 HydrophobicContact CD2-CD2 3.67Å; F60-Y91 AromaticContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CG-CD1 4.49Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; E87-Y91 HydrophobicContact CB-CE2 4.1Å; E87-Y91 WeakPolarHBondContact O-CD2 3.41Å; E87-Y91 PolarHBondContact O-N 2.98Å; T88-Y91 PolarHBondContact O-N 3.21Å; Y91-R93 PolarHBondContact O-N 3.27Å; Y91-Q94 PolarHBondContact O-N 2.94Å; Y91-A95 WeakPolarHBondContact O-CB 3.31Å; Y91-A95 PolarHBondContact O-N 2.82Å
92	K	98.1	Very high	97.4	Very high	84 Å²	84	62.7 Å²	62.7	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-41.3	176.7	-72.7	178.3	178.8	176.7	0	112.7	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; P67-K92 WeakPolarHBondContact O-CE 3.24Å; P67-K92 PolarHBondContact O-NZ 3.01Å; T88-K92 HydrophobicContact CG2-CD 4.21Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.85Å; K90-K92 PolarHBondContact O-N 2.82Å; K92-Q96 PolarHBondContact O-N 2.94Å
93	R	98	Very high	97.3	Very high	157 Å²	157	60.8 Å²	60.8	59%	0.592	28%	0.28	S	S	*	.	H	α-helix	trans	-65.5	-41.3	174.8	-77.7	-176.1	-74.9	172.1	-5.9	112.1	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 WeakPolarHBondContact O-CG 3.35Å; Q89-R93 PolarHBondContact O-N 3.04Å; Q89-R93 PolarHBondContact O-NE 2.93Å; K90-R93 PolarHBondContact O-N 2.84Å; Y91-R93 PolarHBondContact O-N 3.27Å; R93-Q96 PolarHBondContact O-N 2.79Å; R93-A97 PolarHBondContact O-N 3.05Å
94	Q	97.9	Very high	97.2	Very high	40 Å²	40	65 Å²	65	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-43.6	176.8	-171.1	64.6	58.9	0	0	111.5	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.13Å; F46-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CZ-CB 3.94Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; K90-Q94 PolarHBondContact O-N 2.88Å; Y91-Q94 PolarHBondContact O-N 2.94Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.92Å; Q94-A97 WeakPolarHBondContact O-CB 3.33Å; Q94-A97 PolarHBondContact O-N 2.7Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact O-N 2.79Å
95	A	97.8	Very high	97.2	Very high	24 Å²	24	63.5 Å²	63.5	20%	0.198	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-41.6	175.6	0	0	0	0	0	112.2	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.87Å; F46-A95 HydrophobicContact CD2-CB 3.96Å; F46-A95 HydrophobicContact CG-CB 3.55Å; Y91-A95 WeakPolarHBondContact O-CB 3.31Å; Y91-A95 PolarHBondContact O-N 2.82Å; A95-R99 WeakPolarHBondContact O-CB 3.37Å; A95-R99 PolarHBondContact O-N 3.02Å
96	Q	97.1	Very high	97.1	Very high	134 Å²	134	61.3 Å²	61.3	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-67.1	-39.9	174.5	-71.5	-164.8	-11.4	0	0	112.9	K92 R93 Q94 V100	K92-Q96 PolarHBondContact O-N 2.94Å; R93-Q96 PolarHBondContact O-N 2.79Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.92Å; Q96-V100 PolarHBondContact O-N 3.38Å
97	A	97	Very high	97	Very high	39 Å²	39	58.3 Å²	58.3	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-45.2	175.9	0	0	0	0	0	111.4	R93 Q94 R99 V100 N101	R93-A97 PolarHBondContact O-N 3.05Å; Q94-A97 WeakPolarHBondContact O-CB 3.33Å; Q94-A97 PolarHBondContact O-N 2.7Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 2.86Å; A97-V100 WeakPolarHBondContact O-CB 3.18Å; A97-V100 PolarHBondContact O-N 3.06Å; A97-V100 VanDerWaalsContact O-N 3.1Å; A97-N101 PolarHBondContact O-N 3.47Å; A97-N101 PolarHBondContact O-ND2 2.86Å
98	D	97.4	Very high	97	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-39.5	179.5	-76.3	10.8	0	0	0	111.9	S35 F46 Q94 V100 N101 L102 L119	S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 3.33Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.49Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact O-N 2.79Å; D98-V100 VanDerWaalsContact C-N 3.27Å; D98-V100 PolarHBondContact O-N 2.98Å; D98-N101 PolarHBondContact O-N 3.23Å; D98-N101 VanDerWaalsContact O-N 3.12Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 3.34Å; D98-L119 HydrophobicContact CB-CD2 4.16Å
99	R	96.1	Very high	96.9	Very high	82 Å²	82	63.2 Å²	63.2	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-44.1	171.2	175.5	-169.4	179.1	-169.7	0.4	112	E43 P44 A95 A97 R103	E43-R99 VanDerWaalsContact CD-NE 3.26Å; E43-R99 VanDerWaalsContact CD-NH2 3.28Å; E43-R99 IonicContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 3.32Å; E43-R99 PolarHBondContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.49Å; E43-R99 IonicContact OE1-NH2 3.2Å; E43-R99 PolarHBondContact OE1-NH2 2.74Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.04Å; E43-R99 IonicContact OE2-NE 3.41Å; E43-R99 PolarHBondContact OE2-NE 3.45Å; E43-R99 IonicContact OE2-NH1 3.57Å; E43-R99 IonicContact OE2-NH2 3.37Å; E43-R99 PolarHBondContact OE2-NH2 2.74Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.29Å; A95-R99 WeakPolarHBondContact O-CB 3.37Å; A95-R99 PolarHBondContact O-N 3.02Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 2.86Å; R99-R103 VanDerWaalsContact CZ-NH2 3.27Å
100	V	96.3	Very high	96.8	Very high	62 Å²	62	65.5 Å²	65.5	38%	0.376	31%	0.312	S	S	.	.	H	α-helix	trans	-70.1	-39.9	177.1	174.2	0	0	0	0	110.8	Q96 A97 D98 R103 K104	Q96-V100 PolarHBondContact O-N 3.38Å; A97-V100 WeakPolarHBondContact O-CB 3.18Å; A97-V100 PolarHBondContact O-N 3.06Å; A97-V100 VanDerWaalsContact O-N 3.1Å; D98-V100 VanDerWaalsContact C-N 3.27Å; D98-V100 PolarHBondContact O-N 2.98Å; V100-R103 PolarHBondContact O-N 2.73Å; V100-K104 HydrophobicContact CG1-CD 4.32Å; V100-K104 WeakPolarHBondContact O-CG 3.33Å; V100-K104 PolarHBondContact O-N 3.42Å; V100-K104 VanDerWaalsContact O-N 3.12Å
101	N	96.8	Very high	96.7	Very high	46 Å²	46	64.7 Å²	64.7	25%	0.246	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-41.6	-180	-68.3	-23	0	0	0	112	A97 D98 R103 K104 L105 L119	A97-N101 PolarHBondContact O-N 3.47Å; A97-N101 PolarHBondContact O-ND2 2.86Å; D98-N101 PolarHBondContact O-N 3.23Å; D98-N101 VanDerWaalsContact O-N 3.12Å; N101-R103 VanDerWaalsContact C-N 3.3Å; N101-R103 PolarHBondContact O-N 3.22Å; N101-K104 WeakPolarHBondContact O-CB 3.33Å; N101-K104 PolarHBondContact O-N 2.91Å; N101-L105 WeakPolarHBondContact O-CB 3.29Å; N101-L105 WeakPolarHBondContact O-CG 3.2Å; N101-L105 PolarHBondContact O-N 3.33Å; N101-L119 HydrophobicContact CB-CD2 3.79Å
102	L	96.9	Very high	96.5	Very high	7 Å²	7	67.4 Å²	67.4	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-55.7	-43.2	174.1	-78	167.4	0	0	0	111.9	P44 D98 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.78Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 3.34Å; L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.21Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	94.8	Very high	96	Very high	122 Å²	122	69.7 Å²	69.7	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-39.4	175.6	-66	179	-169.4	147.5	-2.9	112.8	R99 V100 N101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.27Å; V100-R103 PolarHBondContact O-N 2.73Å; N101-R103 VanDerWaalsContact C-N 3.3Å; N101-R103 PolarHBondContact O-N 3.22Å; R103-G107 PolarHBondContact O-N 3.25Å
104	K	95.8	Very high	95.5	Very high	97 Å²	97	69 Å²	69	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-48.1	177.8	-73.4	174.5	-179.9	169.4	0	111.1	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.32Å; V100-K104 WeakPolarHBondContact O-CG 3.33Å; V100-K104 PolarHBondContact O-N 3.42Å; V100-K104 VanDerWaalsContact O-N 3.12Å; N101-K104 WeakPolarHBondContact O-CB 3.33Å; N101-K104 PolarHBondContact O-N 2.91Å; K104-G107 CarbonylContact O-C 3.57Å; K104-G107 WeakPolarHBondContact O-CA 3.31Å; K104-G107 PolarHBondContact O-N 2.89Å; K104-G107 VanDerWaalsContact O-N 3.09Å; K104-Y108 HydrophobicContact CB-CE2 4.42Å; K104-Y108 WeakPolarHBondContact O-CD1 3.36Å; K104-Y108 PolarHBondContact O-N 3.46Å
105	L	96.9	Very high	95.1	Very high	8 Å²	8	68 Å²	68	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-47.8	179.3	-71.7	165.8	0	0	0	110.6	N101 G107 Y108 Y109 L119 Y142	N101-L105 WeakPolarHBondContact O-CB 3.29Å; N101-L105 WeakPolarHBondContact O-CG 3.2Å; N101-L105 PolarHBondContact O-N 3.33Å; L105-G107 PolarHBondContact O-N 3.49Å; L105-Y108 PolarHBondContact O-N 3.38Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.3Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 4.4Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.08Å; L105-Y142 HydrophobicContact CB-CE1 4.11Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.39Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.96Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.36Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å
106	R	95.6	Very high	95	Very high	62 Å²	62	69.9 Å²	69.9	23%	0.234	36%	0.363	C	S	.	.	H	α-helix	trans	-51.2	-43	172.2	-170.8	-172.4	67.4	176	9.4	112.5	L102 N110 Q111 S112 E113	L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 3.37Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 PolarHBondContact O-N 2.84Å; R106-S112 WeakPolarHBondContact CD-O 3.3Å; R106-E113 IonicContact CZ-OE1 3.84Å; R106-E113 IonicContact NH1-OE1 2.75Å; R106-E113 IonicContact NH2-OE1 2.86Å; R106-E113 PolarHBondContact NH2-OE1 2.94Å
107	G	95.7	Very high	95	Very high	43 Å²	43	64.2 Å²	64.2	44%	0.443	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-41.8	175.3	0	0	0	0	0	113.7	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.25Å; K104-G107 CarbonylContact O-C 3.57Å; K104-G107 WeakPolarHBondContact O-CA 3.31Å; K104-G107 PolarHBondContact O-N 2.89Å; K104-G107 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 3.49Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.2Å; G107-N110 PolarHBondContact O-N 3.35Å; G107-N110 PolarHBondContact O-OD1 3.16Å
108	Y	96.8	Very high	95.1	Very high	59 Å²	59	64.1 Å²	64.1	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-35	178.5	-62.7	-13.1	0	0	0	112.3	K104 L105 I166 K170	K104-Y108 HydrophobicContact CB-CE2 4.42Å; K104-Y108 WeakPolarHBondContact O-CD1 3.36Å; K104-Y108 PolarHBondContact O-N 3.46Å; L105-Y108 PolarHBondContact O-N 3.38Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.31Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; Y108-K170 PolarHBondContact OH-NZ 3.2Å
109	Y	96.8	Very high	95.2	Very high	69 Å²	69	64.2 Å²	64.2	27%	0.271	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.1	178.1	-69	-71.3	0	0	0	114.2	L105 G107 Q111 Y142 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.3Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.2Å; Y109-Q111 PolarHBondContact O-N 3Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.58Å; Y109-Y142 HydrophobicContact CE2-CD1 3.58Å; Y109-Y142 AromaticContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.47Å; Y109-D161 PolarHBondContact OH-OD2 2.98Å; Y109-A163 HydrophobicContact CD1-CB 4.11Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	95.8	Very high	95.3	Very high	149 Å²	149	64 Å²	64	80%	0.797	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.5	-177.1	-57.1	-57.3	0	0	0	113.6	R106 G107	R106-N110 PolarHBondContact O-N 3.37Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 3.35Å; G107-N110 PolarHBondContact O-OD1 3.16Å
111	Q	95.7	Very high	95.4	Very high	59 Å²	59	61.7 Å²	61.7	28%	0.276	32%	0.32	S	S	.	.			trans	-84.4	154.2	-177.8	-69.5	168.2	-36.1	0	0	111.7	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 PolarHBondContact O-N 2.84Å; Y109-Q111 PolarHBondContact O-N 3Å; Q111-H117 PolarHBondContact NE2-CE1 3.35Å; Q111-H117 PolarHBondContact OE1-CE1 3.09Å; Q111-H117 PolarHBondContact OE1-ND1 2.86Å; Q111-Y142 PolarHBondContact OE1-OH 2.75Å; Q111-D143 PolarHBondContact NE2-OD2 3.42Å
112	S	92.8	Very high	95.5	Very high	73 Å²	73	60.6 Å²	60.6	51%	0.51	31%	0.313	S	S	.	.			trans	-70.8	157.9	-179.3	91.3	0	0	0	0	112.3	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.3Å; S112-D114 VanDerWaalsContact C-N 3.26Å; S112-D114 PolarHBondContact O-N 3.04Å; S112-D114 PolarHBondContact OG-N 3.41Å; S112-G115 PolarHBondContact OG-N 2.79Å
113	E	87.7	Confident	95.6	Very high	131 Å²	131	61.8 Å²	61.8	61%	0.612	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.6	178	-57.7	-151.4	125.5	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; R106-E113 IonicContact CZ-OE1 3.84Å; R106-E113 IonicContact NH1-OE1 2.75Å; R106-E113 IonicContact NH2-OE1 2.86Å; R106-E113 PolarHBondContact NH2-OE1 2.94Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	D	87.8	Confident	95.7	Very high	142 Å²	142	56 Å²	56	76%	0.759	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.3	-177.6	-57.7	-40.8	0	0	0	112.7	S112	S112-D114 VanDerWaalsContact C-N 3.26Å; S112-D114 PolarHBondContact O-N 3.04Å; S112-D114 PolarHBondContact OG-N 3.41Å
115	G	90.8	Very high	95.9	Very high	21 Å²	21	51.3 Å²	51.3	22%	0.216	28%	0.276	C	S	.	.			trans	-75.3	133.8	176.6	0	0	0	0	0	113.5	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.34Å; S112-G115 PolarHBondContact OG-N 2.79Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 2.82Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å
116	S	95.4	Very high	95.9	Very high	63 Å²	63	52.2 Å²	52.2	44%	0.441	28%	0.281	S	S	.	.			trans	-80.9	134	164.1	-178.9	0	0	0	0	109.2	S37	S37-S116 WeakPolarHBondContact O-CA 3.27Å; S37-S116 VanDerWaalsContact O-CB 3.31Å; S37-S116 WeakPolarHBondContact O-CB 3.39Å; S37-S116 PolarHBondContact O-OG 3.39Å
117	H	97.3	Very high	96	Very high	15 Å²	15	49.4 Å²	49.4	7%	0.069	27%	0.271	C	S	.	.			trans	-131.7	150.4	-177.5	-63.7	-70.7	0	0	0	110.8	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.46Å; S37-H117 PolarHBondContact N-O 2.94Å; S37-H117 PolarHBondContact OG-N 3.4Å; S37-H117 PolarHBondContact OG-O 3.48Å; L102-H117 HydrophobicContact CD2-CB 4.21Å; Q111-H117 PolarHBondContact NE2-CE1 3.35Å; Q111-H117 PolarHBondContact OE1-CE1 3.09Å; Q111-H117 PolarHBondContact OE1-ND1 2.86Å; G115-H117 PolarHBondContact O-CD2 2.82Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.48Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 2.83Å; H117-D143 WeakPolarHBondContact CA-OD1 3.29Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 3.44Å; H117-D143 IonicContact CG-OD1 2.98Å; H117-D143 IonicContact CG-OD2 3.57Å; H117-D143 IonicContact ND1-OD1 3.03Å; H117-D143 PolarHBondContact ND1-OD1 2.88Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.63Å
118	T	98.3	Very high	95.9	Very high	37 Å²	37	47.6 Å²	47.6	23%	0.227	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128	-177.9	-55.5	0	0	0	0	110.2	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.85Å; S35-T118 CarbonylContact O-C 3.59Å; S35-T118 WeakPolarHBondContact O-CA 3.45Å; V36-T118 HydrophobicContact CG2-CG2 4.29Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; T118-Y142 CarbonylContact O-C 3.56Å; T118-Y142 WeakPolarHBondContact O-CA 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.34Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 3.13Å
119	L	98.6	Very high	95.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124	169.2	176.4	63.1	0	0	0	108.6	T34 S35 D98 N101 L102 L105 F140	T34-L119 WeakPolarHBondContact CA-O 3.32Å; S35-L119 PolarHBondContact N-O 2.92Å; S35-L119 PolarHBondContact O-N 2.97Å; D98-L119 HydrophobicContact CB-CD2 4.16Å; N101-L119 HydrophobicContact CB-CD2 3.79Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 4.4Å; L119-F140 HydrophobicContact CD1-CD1 4.25Å
120	Q	98.8	Very high	95.1	Very high	76 Å²	76	50.2 Å²	50.2	36%	0.355	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.6	177.5	-64.5	173.7	-86.8	0	0	109.9	S33 T34 T118 F140 A141	S33-Q120 CarbonylContact O-C 3.58Å; S33-Q120 VanDerWaalsContact O-CA 3.3Å; S33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; Q120-F140 CarbonylContact O-C 3.55Å; Q120-F140 VanDerWaalsContact O-CA 3.26Å; Q120-F140 WeakPolarHBondContact O-CA 3.47Å; Q120-A141 HydrophobicContact CB-CB 4.33Å; Q120-A141 PolarHBondContact N-O 3.45Å; Q120-A141 PolarHBondContact O-N 3.35Å
121	R	98.5	Very high	94.8	Very high	15 Å²	15	44 Å²	44	6%	0.057	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.1	173.4	-174.3	-171.2	-179.2	-143.2	-15.6	109.7	F32 S33 F123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.43Å; S33-R121 PolarHBondContact N-O 3.36Å; S33-R121 PolarHBondContact O-N 2.95Å; R121-F123 HydrophobicContact CG-CD1 4.29Å; R121-F123 VanDerWaalsContact CZ-CD1 3.43Å; R121-N138 VanDerWaalsContact CZ-OD1 3.32Å; R121-N138 PolarHBondContact NE-OD1 3.16Å; R121-N138 PolarHBondContact NH2-OD1 2.95Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.4Å; R121-F140 HydrophobicContact CB-CD1 3.85Å; R121-F140 HydrophobicContact CB-CE1 3.82Å; R121-F140 HydrophobicContact CB-CZ 4.42Å; R121-F140 VanDerWaalsContact CD-CE1 3.41Å; R121-F140 HydrophobicContact CG-CD1 3.86Å; R121-F140 HydrophobicContact CG-CD2 4.35Å; R121-F140 HydrophobicContact CG-CE1 3.53Å; R121-F140 HydrophobicContact CG-CE2 4.02Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.62Å; R121-F140 VanDerWaalsContact NE-CZ 3.27Å
122	M	98.6	Very high	94.7	Very high	22 Å²	22	49.3 Å²	49.3	11%	0.108	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.3	166.8	-173.1	-78.2	-71.5	0	0	108.9	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.4Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.95Å; M122-Y137 HydrophobicContact CE-CD1 3.94Å; M122-Y137 HydrophobicContact CE-CG 4.01Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; M122-N138 WeakPolarHBondContact O-CA 3.34Å; M122-Q139 HydrophobicContact CB-CG 4.06Å; M122-Q139 HydrophobicContact CE-CG 3.99Å; M122-Q139 PolarHBondContact N-O 3.45Å; M122-Q139 PolarHBondContact O-N 3.45Å
123	F	98.5	Very high	94.9	Very high	32 Å²	32	48.3 Å²	48.3	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.2	172.3	69.9	-82.3	0	0	0	111	Y31 R121 Y137 N138 Y183	Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 VanDerWaalsContact CB-CZ 3.47Å; Y31-F123 HydrophobicContact CD2-CD2 4.47Å; Y31-F123 AromaticContact CD2-CE2 3.78Å; Y31-F123 HydrophobicContact CD2-CE2 3.78Å; Y31-F123 AromaticContact CD2-CZ 3.93Å; Y31-F123 HydrophobicContact CD2-CZ 3.93Å; Y31-F123 HydrophobicContact CG-CE1 4.27Å; Y31-F123 HydrophobicContact CG-CE2 4.11Å; Y31-F123 AromaticContact CG-CZ 3.77Å; Y31-F123 HydrophobicContact CG-CZ 3.77Å; Y31-F123 PolarHBondContact N-O 3.03Å; Y31-F123 PolarHBondContact O-N 3.4Å; R121-F123 HydrophobicContact CG-CD1 4.29Å; R121-F123 VanDerWaalsContact CZ-CD1 3.43Å; F123-Y137 WeakPolarHBondContact CA-O 3.46Å; F123-Y137 VanDerWaalsContact CB-O 3.32Å; F123-Y137 WeakPolarHBondContact CB-O 3.24Å; F123-N138 HydrophobicContact CB-CB 4.21Å; F123-Y183 AromaticContact CD2-CE1 3.89Å; F123-Y183 HydrophobicContact CD2-CE1 3.89Å; F123-Y183 AromaticContact CE2-CE1 3.88Å; F123-Y183 HydrophobicContact CE2-CE1 3.88Å
124	G	98.4	Very high	95.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-179	-174.6	0	0	0	0	0	113.8	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.49Å; G124-Y137 PolarHBondContact N-O 2.93Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.48Å; G124-L184 WeakPolarHBondContact O-CD2 3.34Å
125	C	98.4	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.4	-178.3	53.4	0	0	0	0	111	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.4Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.48Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 3.04Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.09Å
126	D	97.9	Very high	96.1	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.2	174.3	-60.6	-3.4	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.41Å; R30-D126 IonicContact CZ-OD1 3.62Å; R30-D126 VanDerWaalsContact CZ-OD1 3.31Å; R30-D126 IonicContact NE-OD1 3.35Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 IonicContact NH2-OD1 3.88Å; R30-D126 PolarHBondContact NH2-OD1 3.31Å; R30-D126 IonicContact NH2-OD2 3.71Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 2.89Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.42Å; D126-R135 PolarHBondContact O-N 3.4Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.29Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.43Å; D126-Y137 VanDerWaalsContact OD2-OH 3.09Å
127	L	96.9	Very high	96.2	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140	175.7	-56.8	-175.7	0	0	0	110.3	S26 H27 R132 V189 L192 R193	S26-L127 CarbonylContact C-O 3.54Å; S26-L127 VanDerWaalsContact CA-O 3.24Å; S26-L127 WeakPolarHBondContact CA-O 3.42Å; S26-L127 WeakPolarHBondContact CB-O 3.43Å; H27-L127 PolarHBondContact N-O 2.87Å; H27-L127 PolarHBondContact O-N 3.41Å; L127-R132 CarbonylContact C-O 3.57Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.37Å; L127-V189 HydrophobicContact CD1-CG1 4.36Å; L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L127-L192 HydrophobicContact CB-CD2 4.45Å; L127-L192 HydrophobicContact CD1-CB 4.19Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.94Å
128	G	93.5	Very high	96.3	Very high	4 Å²	4	42.8 Å²	42.8	4%	0.041	21%	0.212	C	C	.	.			trans	-77	176.5	170.7	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.82Å; G128-D130 VanDerWaalsContact O-N 3.13Å; G128-G131 WeakPolarHBondContact O-CA 3.28Å; G128-G131 PolarHBondContact O-N 2.91Å; G128-R132 PolarHBondContact N-O 2.95Å
129	P	89.1	Confident	96.3	Very high	85 Å²	85	44.4 Å²	44.4	55%	0.552	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.3	175.9	-25.8	34.1	0	0	0	113.7	A24 G131	A24-P129 HydrophobicContact CB-CB 3.89Å; A24-P129 WeakPolarHBondContact O-CB 3.47Å; A24-P129 WeakPolarHBondContact O-CG 3.38Å; P129-G131 PolarHBondContact O-N 3.11Å
130	D	89	Confident	96.3	Very high	98 Å²	98	45 Å²	45	52%	0.524	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.6	177	71	-13.7	0	0	0	113.4	G128 R132	G128-D130 PolarHBondContact O-N 2.82Å; G128-D130 VanDerWaalsContact O-N 3.13Å; D130-R132 PolarHBondContact O-N 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.39Å; D130-R132 PolarHBondContact OD1-N 3.18Å; D130-R132 WeakPolarHBondContact OD2-CD 3.45Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-CZ 2.72Å; D130-R132 IonicContact OD2-NE 3.97Å
131	G	89	Confident	96.3	Very high	19 Å²	19	42.1 Å²	42.1	20%	0.196	21%	0.209	C	C	.	.	S	Bend	trans	71.3	10	-178.2	0	0	0	0	0	114.1	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.28Å; G128-G131 PolarHBondContact O-N 2.91Å; P129-G131 PolarHBondContact O-N 3.11Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.89Å; G131-R193 PolarHBondContact O-NH2 2.87Å
132	R	93.8	Very high	96.3	Very high	170 Å²	170	42 Å²	42	64%	0.642	21%	0.209	S	C	*	.			trans	-88.7	153.7	178.3	-62.2	-173.7	-175.9	166.7	-2.5	111.3	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.57Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.37Å; G128-R132 PolarHBondContact N-O 2.95Å; D130-R132 PolarHBondContact O-N 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.39Å; D130-R132 PolarHBondContact OD1-N 3.18Å; D130-R132 WeakPolarHBondContact OD2-CD 3.45Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-CZ 2.72Å; D130-R132 IonicContact OD2-NE 3.97Å; R132-L134 PolarHBondContact O-N 2.71Å; R132-L134 VanDerWaalsContact O-N 3.16Å
133	L	96.8	Very high	96.2	Very high	52 Å²	52	43.9 Å²	43.9	27%	0.272	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	118.6	175.2	-176.6	73	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.48Å; L133-L154 HydrophobicContact CD2-CD1 4.25Å; L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å
134	L	96.3	Very high	96.2	Very high	116 Å²	116	45.2 Å²	45.2	61%	0.607	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88	-46.5	167.8	-73.3	177.1	0	0	0	110.7	D126 R132	D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 2.89Å; R132-L134 PolarHBondContact O-N 2.71Å; R132-L134 VanDerWaalsContact O-N 3.16Å
135	R	96.6	Very high	96.2	Very high	95 Å²	95	52.9 Å²	52.9	36%	0.358	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	144.4	-173.9	-170.6	161.7	168.8	144.7	10.4	112.2	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.42Å; D126-R135 PolarHBondContact O-N 3.4Å; L133-R135 WeakPolarHBondContact CD1-O 3.48Å; R135-Y137 HydrophobicContact CB-CE2 4.01Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.49Å; R135-Y137 HydrophobicContact CG-CD2 4.37Å; R135-Y137 HydrophobicContact CG-CE1 4.2Å; R135-Y137 HydrophobicContact CG-CE2 3.66Å; R135-Y137 VanDerWaalsContact NE-CE1 3.27Å; R135-Y137 VanDerWaalsContact NE-CZ 3.34Å; R135-Y137 PolarHBondContact NE-OH 3.11Å; R135-E152 VanDerWaalsContact CZ-CD 3.43Å; R135-E152 IonicContact CZ-OE1 3.05Å; R135-E152 IonicContact NH1-OE1 3.44Å; R135-E152 PolarHBondContact NH1-OE1 3.37Å; R135-E152 IonicContact NH1-OE2 2.74Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 3.44Å
136	G	98	Very high	96.2	Very high	4 Å²	4	58.7 Å²	58.7	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.1	172.3	0	0	0	0	0	111.4
137	Y	98.3	Very high	96.2	Very high	40 Å²	40	57.8 Å²	57.8	16%	0.157	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.1	-176.9	-58.3	-95.3	0	0	0	110.8	R30 M122 F123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.08Å; M122-Y137 HydrophobicContact CE-CD1 3.94Å; M122-Y137 HydrophobicContact CE-CG 4.01Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; F123-Y137 WeakPolarHBondContact CA-O 3.46Å; F123-Y137 VanDerWaalsContact CB-O 3.32Å; F123-Y137 WeakPolarHBondContact CB-O 3.24Å; G124-Y137 PolarHBondContact N-O 2.93Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.48Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.29Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.43Å; D126-Y137 VanDerWaalsContact OD2-OH 3.09Å; R135-Y137 HydrophobicContact CB-CE2 4.01Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.49Å; R135-Y137 HydrophobicContact CG-CD2 4.37Å; R135-Y137 HydrophobicContact CG-CE1 4.2Å; R135-Y137 HydrophobicContact CG-CE2 3.66Å; R135-Y137 VanDerWaalsContact NE-CE1 3.27Å; R135-Y137 VanDerWaalsContact NE-CZ 3.34Å; R135-Y137 PolarHBondContact NE-OH 3.11Å
138	N	98.4	Very high	96.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.011	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	101.2	164.2	-178.1	47	0	0	0	108.9	R121 M122 F123 L150 W157	R121-N138 VanDerWaalsContact CZ-OD1 3.32Å; R121-N138 PolarHBondContact NE-OD1 3.16Å; R121-N138 PolarHBondContact NH2-OD1 2.95Å; M122-N138 WeakPolarHBondContact O-CA 3.34Å; F123-N138 HydrophobicContact CB-CB 4.21Å; N138-L150 HydrophobicContact CB-CB 4.05Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 WeakPolarHBondContact O-CB 3.28Å; N138-L150 PolarHBondContact O-N 2.84Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.35Å
139	Q	98.5	Very high	96.5	Very high	71 Å²	71	59 Å²	59	33%	0.332	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.9	-174.9	65.3	-166.5	62.3	0	0	111.4	R121 M122 I148 A149	R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.4Å; M122-Q139 HydrophobicContact CB-CG 4.06Å; M122-Q139 HydrophobicContact CE-CG 3.99Å; M122-Q139 PolarHBondContact N-O 3.45Å; M122-Q139 PolarHBondContact O-N 3.45Å; Q139-I148 WeakPolarHBondContact CA-O 3.41Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	F	98.6	Very high	97	Very high	14 Å²	14	55.7 Å²	55.7	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145	-178.4	-66.5	-102	0	0	0	110.1	L119 Q120 R121 D147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.25Å; Q120-F140 CarbonylContact O-C 3.55Å; Q120-F140 VanDerWaalsContact O-CA 3.26Å; Q120-F140 WeakPolarHBondContact O-CA 3.47Å; R121-F140 HydrophobicContact CB-CD1 3.85Å; R121-F140 HydrophobicContact CB-CE1 3.82Å; R121-F140 HydrophobicContact CB-CZ 4.42Å; R121-F140 VanDerWaalsContact CD-CE1 3.41Å; R121-F140 HydrophobicContact CG-CD1 3.86Å; R121-F140 HydrophobicContact CG-CD2 4.35Å; R121-F140 HydrophobicContact CG-CE1 3.53Å; R121-F140 HydrophobicContact CG-CE2 4.02Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.62Å; R121-F140 VanDerWaalsContact NE-CZ 3.27Å; F140-D147 PolarHBondContact O-N 3.13Å; F140-I148 HydrophobicContact CB-CG2 4.1Å; F140-I148 HydrophobicContact CD2-CG2 4.08Å; F140-I148 HydrophobicContact CG-CG2 4.37Å; F140-I148 PolarHBondContact N-O 3.38Å; F140-I148 PolarHBondContact O-N 3.1Å; F140-W171 AromaticContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CZ3 4.26Å; 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 4.46Å; F140-W171 HydrophobicContact CE2-CZ3 4.01Å; F140-W171 AromaticContact CZ-CH2 3.86Å; F140-W171 HydrophobicContact CZ-CH2 3.86Å
141	A	98.8	Very high	97.4	Very high	16 Å²	16	53 Å²	53	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.2	171.7	0	0	0	0	0	110	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.33Å; Q120-A141 PolarHBondContact N-O 3.45Å; Q120-A141 PolarHBondContact O-N 3.35Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.32Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å
142	Y	98.6	Very high	97.8	Very high	11 Å²	11	58.6 Å²	58.6	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.2	177.7	-175.1	-116.2	0	0	0	110	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.08Å; L105-Y142 HydrophobicContact CB-CE1 4.11Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.39Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.96Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.36Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.58Å; Y109-Y142 HydrophobicContact CE2-CD1 3.58Å; Y109-Y142 AromaticContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Q111-Y142 PolarHBondContact OE1-OH 2.75Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.48Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 2.83Å; T118-Y142 CarbonylContact O-C 3.56Å; T118-Y142 WeakPolarHBondContact O-CA 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.34Å; Y142-G144 PolarHBondContact O-N 2.86Å; Y142-G144 VanDerWaalsContact O-N 3.16Å; Y142-K145 PolarHBondContact N-O 3.24Å; Y142-K145 PolarHBondContact O-N 3.24Å
143	D	97.8	Very high	98	Very high	63 Å²	63	54.2 Å²	54.2	34%	0.337	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	39.3	-175.2	-65.8	-22.1	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.42Å; H117-D143 WeakPolarHBondContact CA-OD1 3.29Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 3.44Å; H117-D143 IonicContact CG-OD1 2.98Å; H117-D143 IonicContact CG-OD2 3.57Å; H117-D143 IonicContact ND1-OD1 3.03Å; H117-D143 PolarHBondContact ND1-OD1 2.88Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.63Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 3.13Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.76Å
144	G	97	Very high	98	Very high	59 Å²	59	52.1 Å²	52.1	61%	0.608	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	7.4	177.7	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 2.86Å; Y142-G144 VanDerWaalsContact O-N 3.16Å
145	K	98.3	Very high	98.1	Very high	161 Å²	161	54.4 Å²	54.4	70%	0.7	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	146	176.4	-61.8	-179.9	-177	177.7	0	110.6	A141 Y142 D143 D147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.32Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å; Y142-K145 PolarHBondContact N-O 3.24Å; Y142-K145 PolarHBondContact O-N 3.24Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.76Å; K145-D147 PolarHBondContact O-N 3.34Å
146	D	98.4	Very high	98.2	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	-54.7	135.3	173.6	-66.5	-35.8	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.3Å
147	D	98.1	Very high	98.2	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-65.8	179.4	175.9	50.7	0	0	0	109.9	F140 K145 A160 A164	F140-D147 PolarHBondContact O-N 3.13Å; K145-D147 PolarHBondContact O-N 3.34Å; D147-A160 WeakPolarHBondContact O-CB 3.43Å; D147-A160 PolarHBondContact O-N 3.33Å; D147-A164 WeakPolarHBondContact O-CB 3.48Å; D147-A164 WeakPolarHBondContact OD1-CB 3.21Å
148	I	98.6	Very high	98.2	Very high	3 Å²	3	54 Å²	54	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	138	179.5	-166.8	169.9	0	0	0	111.8	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.41Å; F140-I148 HydrophobicContact CB-CG2 4.1Å; F140-I148 HydrophobicContact CD2-CG2 4.08Å; F140-I148 HydrophobicContact CG-CG2 4.37Å; F140-I148 PolarHBondContact N-O 3.38Å; F140-I148 PolarHBondContact O-N 3.1Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.3Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; I148-T158 WeakPolarHBondContact CA-O 3.47Å; I148-T167 HydrophobicContact CD1-CG2 4.16Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.16Å; I148-W171 HydrophobicContact CG2-CH2 3.96Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å
149	A	98.7	Very high	98.2	Very high	31 Å²	31	54.9 Å²	54.9	26%	0.256	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.5	-179.7	0	0	0	0	0	112.2	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.04Å; A149-T158 PolarHBondContact N-O 3.19Å; A149-T158 PolarHBondContact O-N 3.15Å
150	L	98.8	Very high	98.2	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.4	168.3	-175.2	68.2	0	0	0	108.8	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.05Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 WeakPolarHBondContact O-CB 3.28Å; N138-L150 PolarHBondContact O-N 2.84Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-R180 HydrophobicContact CD2-CB 4.06Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151	N	98.5	Very high	98.2	Very high	42 Å²	42	56.4 Å²	56.4	23%	0.225	31%	0.314	C	S	.	.			trans	-72.1	163.9	-179.9	-67.3	-25.9	0	0	0	111.6	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.4Å; N151-D153 VanDerWaalsContact O-N 3.11Å; N151-L154 WeakPolarHBondContact O-CA 3.48Å; N151-L154 PolarHBondContact O-N 3.36Å; N151-S156 WeakPolarHBondContact CB-O 3.03Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 3.35Å; N151-S156 PolarHBondContact ND2-OG 2.79Å; N151-T158 PolarHBondContact ND2-OG1 3.44Å; N151-T158 WeakPolarHBondContact OD1-CB 3.3Å; N151-T158 PolarHBondContact OD1-OG1 3.05Å
152	E	97.4	Very high	98.1	Very high	136 Å²	136	61 Å²	61	64%	0.636	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.7	-179.7	-66.4	179.2	-164.7	0	0	113.5	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.43Å; R135-E152 IonicContact CZ-OE1 3.05Å; R135-E152 IonicContact NH1-OE1 3.44Å; R135-E152 PolarHBondContact NH1-OE1 3.37Å; R135-E152 IonicContact NH1-OE2 2.74Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 3.44Å; E152-L154 PolarHBondContact O-N 2.92Å
153	D	97.4	Very high	98	Very high	78 Å²	78	60.7 Å²	60.7	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.3	174.5	70.7	2.4	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.4Å; N151-D153 VanDerWaalsContact O-N 3.11Å; D153-R155 WeakPolarHBondContact O-CG 3.44Å; D153-R155 PolarHBondContact O-N 3.37Å; D153-R155 VanDerWaalsContact O-N 3.16Å; D153-R155 PolarHBondContact OD1-N 3.13Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.14Å; D153-S156 PolarHBondContact OD1-OG 3.42Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.44Å; D153-S156 PolarHBondContact OD2-OG 3.16Å
154	L	97.9	Very high	98	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	32%	0.324	C	S	.	.	S	Bend	trans	53.8	26.1	-175	-53.6	-179	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.25Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 WeakPolarHBondContact O-CA 3.48Å; N151-L154 PolarHBondContact O-N 3.36Å; E152-L154 PolarHBondContact O-N 2.92Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L154-E185 HydrophobicContact CD1-CG 4.23Å
155	R	97.5	Very high	98.1	Very high	164 Å²	164	58.3 Å²	58.3	62%	0.619	31%	0.311	S	S	*	.	S	Bend	trans	-132.7	-33.4	-173.5	-71.5	169.5	-175.9	-100.9	12.4	112.7	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.44Å; D153-R155 PolarHBondContact O-N 3.37Å; D153-R155 VanDerWaalsContact O-N 3.16Å; D153-R155 PolarHBondContact OD1-N 3.13Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å; R155-R181 VanDerWaalsContact CZ-NH1 3.29Å
156	S	97.9	Very high	98.1	Very high	40 Å²	40	53.5 Å²	53.5	28%	0.28	29%	0.292	S	S	.	.			trans	-113.5	163.5	-178	62.3	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.03Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 3.35Å; N151-S156 PolarHBondContact ND2-OG 2.79Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.14Å; D153-S156 PolarHBondContact OD1-OG 3.42Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.44Å; D153-S156 PolarHBondContact OD2-OG 3.16Å
157	W	98.6	Very high	98	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147	-178.8	-59.5	91	0	0	0	110.6	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.35Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.3Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.04Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.18Å; W157-W171 AromaticContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CZ3 4.42Å; W157-W171 AromaticContact CE2-CE3 3.78Å; W157-W171 AromaticContact CE3-CE3 3.75Å; W157-W171 HydrophobicContact CE3-CE3 3.75Å; W157-W171 AromaticContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; W157-W171 AromaticContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CH2-CZ3 3.46Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.4Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.11Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-E176 HydrophobicContact CZ2-CB 4.2Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; W157-R180 HydrophobicContact CH2-CG 4.3Å
158	T	98.6	Very high	98	Very high	79 Å²	79	50 Å²	50	49%	0.485	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.1	166.7	-65.7	0	0	0	0	108.7	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.47Å; A149-T158 PolarHBondContact N-O 3.19Å; A149-T158 PolarHBondContact O-N 3.15Å; N151-T158 PolarHBondContact ND2-OG1 3.44Å; N151-T158 WeakPolarHBondContact OD1-CB 3.3Å; N151-T158 PolarHBondContact OD1-OG1 3.05Å
159	A	98.6	Very high	98	Very high	22 Å²	22	57.4 Å²	57.4	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.3	175.4	0	0	0	0	0	110	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 4.02Å; A159-Q168 HydrophobicContact CB-CB 4.36Å
160	A	98.3	Very high	98	Very high	62 Å²	62	61.1 Å²	61.1	51%	0.512	31%	0.311	S	S	.	.	S	Bend	trans	-74.5	-32.2	-176.5	0	0	0	0	0	113.2	D146 D147	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.3Å; D147-A160 WeakPolarHBondContact O-CB 3.43Å; D147-A160 PolarHBondContact O-N 3.33Å
161	D	97.8	Very high	98	Very high	55 Å²	55	62.8 Å²	62.8	29%	0.294	32%	0.317	S	S	.	.	S	Bend	trans	-149.3	-173.2	-178.2	68.3	28.5	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.47Å; Y109-D161 PolarHBondContact OH-OD2 2.98Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 3.01Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 3.39Å; D161-A164 PolarHBondContact O-N 3.06Å; D161-A164 PolarHBondContact OD1-N 3.04Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 3.15Å
162	T	97.5	Very high	98	Very high	111 Å²	111	65.2 Å²	65.2	68%	0.681	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-27.4	-178.8	52.5	0	0	0	0	113.8
163	A	96.9	Very high	98	Very high	5 Å²	5	62.9 Å²	62.9	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-44.6	174.7	0	0	0	0	0	110.1	Y109 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.11Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 3.01Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 3.39Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.47Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.28Å; A163-I166 PolarHBondContact O-N 2.95Å
164	A	97.9	Very high	98	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-34.4	174.1	0	0	0	0	0	112.6	D147 A159 D161 I166 T167 Q168	D147-A164 WeakPolarHBondContact O-CB 3.48Å; D147-A164 WeakPolarHBondContact OD1-CB 3.21Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 PolarHBondContact O-N 3.06Å; D161-A164 PolarHBondContact OD1-N 3.04Å; A164-I166 PolarHBondContact O-N 3.49Å; A164-T167 WeakPolarHBondContact O-CA 3.43Å; A164-T167 WeakPolarHBondContact O-CB 3.5Å; A164-T167 PolarHBondContact O-N 3.22Å; A164-Q168 PolarHBondContact O-N 3.47Å
165	Q	98.4	Very high	98	Very high	73 Å²	73	69 Å²	69	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-27.7	173.8	-75.5	174.7	16.8	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.02Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 3.15Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.47Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 2.9Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	97.9	Very high	98	Very high	59 Å²	59	63.2 Å²	63.2	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-66.3	-43.9	174.3	-58	170.7	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.31Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.28Å; A163-I166 PolarHBondContact O-N 2.95Å; A164-I166 PolarHBondContact O-N 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 2.81Å
167	T	97.6	Very high	98	Very high	19 Å²	19	61.8 Å²	61.8	12%	0.117	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-45.8	176.1	-60.2	0	0	0	0	110.8	I148 A164 R169 K170 W171	I148-T167 HydrophobicContact CD1-CG2 4.16Å; A164-T167 WeakPolarHBondContact O-CA 3.43Å; A164-T167 WeakPolarHBondContact O-CB 3.5Å; A164-T167 PolarHBondContact O-N 3.22Å; T167-R169 PolarHBondContact O-N 2.88Å; T167-K170 WeakPolarHBondContact O-CB 3.2Å; T167-K170 PolarHBondContact O-N 2.9Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.82Å; T167-W171 HydrophobicContact CG2-CE3 4.26Å; T167-W171 HydrophobicContact CG2-CG 4.24Å; T167-W171 HydrophobicContact CG2-CH2 4.22Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.44Å; T167-W171 PolarHBondContact O-N 3.24Å
168	Q	98.4	Very high	98	Very high	39 Å²	39	66.8 Å²	66.8	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-51.5	-54.6	176.7	176.6	175.2	15.4	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.18Å; A159-Q168 HydrophobicContact CB-CB 4.36Å; A164-Q168 PolarHBondContact O-N 3.47Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.45Å; Q168-W171 PolarHBondContact O-N 3.19Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.15Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.23Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 3.45Å
169	R	98.5	Very high	97.9	Very high	158 Å²	158	68.9 Å²	68.9	60%	0.596	36%	0.358	S	S	*	.	H	α-helix	trans	-58.9	-37.2	-179.4	-68.6	171	-165.8	153.3	9.1	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 2.9Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 2.88Å; R169-A173 WeakPolarHBondContact O-CB 2.98Å; R169-A173 PolarHBondContact O-N 3.14Å
170	K	97.7	Very high	97.8	Very high	108 Å²	108	71.1 Å²	71.1	47%	0.47	36%	0.362	S	S	.	.	H	α-helix	trans	-68.1	-43.8	177.3	-71.8	174.9	-177.6	-179.6	0	111.7	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.2Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 2.81Å; T167-K170 WeakPolarHBondContact O-CB 3.2Å; T167-K170 PolarHBondContact O-N 2.9Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.45Å; K170-A173 PolarHBondContact O-N 2.92Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 2.84Å
171	W	98.1	Very high	97.8	Very high	50 Å²	50	71.5 Å²	71.5	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-70.4	-36	-179.8	-75.8	6.4	0	0	0	112.6	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CH2 3.8Å; F140-W171 HydrophobicContact CD2-CZ3 4.26Å; 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 4.46Å; F140-W171 HydrophobicContact CE2-CZ3 4.01Å; F140-W171 AromaticContact CZ-CH2 3.86Å; F140-W171 HydrophobicContact CZ-CH2 3.86Å; I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.16Å; I148-W171 HydrophobicContact CG2-CH2 3.96Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å; W157-W171 AromaticContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CZ3 4.42Å; W157-W171 AromaticContact CE2-CE3 3.78Å; W157-W171 AromaticContact CE3-CE3 3.75Å; W157-W171 HydrophobicContact CE3-CE3 3.75Å; W157-W171 AromaticContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; W157-W171 AromaticContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CH2-CZ3 3.46Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.4Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.11Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.82Å; T167-W171 HydrophobicContact CG2-CE3 4.26Å; T167-W171 HydrophobicContact CG2-CG 4.24Å; T167-W171 HydrophobicContact CG2-CH2 4.22Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.44Å; T167-W171 PolarHBondContact O-N 3.24Å; Q168-W171 PolarHBondContact O-N 3.19Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; W171-A174 CarbonylContact O-C 3.4Å; W171-A174 PolarHBondContact O-N 3.33Å; W171-R175 WeakPolarHBondContact O-CA 3.48Å; W171-R175 PolarHBondContact O-N 3.28Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.95Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.1Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 2.04Å
172	E	98.4	Very high	97.9	Very high	93 Å²	93	72 Å²	72	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-47.2	171.6	-72.9	170.9	174.6	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.15Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.23Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 3.45Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.45Å; E172-R175 PolarHBondContact O-N 2.97Å; E172-R175 VanDerWaalsContact O-N 3.08Å
173	A	98.2	Very high	97.9	Very high	87 Å²	87	69.4 Å²	69.4	72%	0.719	34%	0.339	S	S	*	.	H	α-helix	trans	-61.5	-35.8	176.2	0	0	0	0	0	112.7	R169 K170 R175	R169-A173 WeakPolarHBondContact O-CB 2.98Å; R169-A173 PolarHBondContact O-N 3.14Å; K170-A173 PolarHBondContact O-N 2.92Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	97.8	Very high	98	Very high	55 Å²	55	69.2 Å²	69.2	46%	0.455	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.2	176.9	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 2.84Å; W171-A174 CarbonylContact O-C 3.4Å; W171-A174 PolarHBondContact O-N 3.33Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.45Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.36Å
175	R	97.6	Very high	98	Very high	159 Å²	159	73.4 Å²	73.4	60%	0.6	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	37.8	-176.5	-56.4	-178.9	175.2	-156.6	3.9	113.9	W171 E172 A173 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.48Å; W171-R175 PolarHBondContact O-N 3.28Å; E172-R175 PolarHBondContact O-N 2.97Å; E172-R175 VanDerWaalsContact O-N 3.08Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.12Å; R175-A177 VanDerWaalsContact O-N 3.16Å; R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact NH1-OE1 3.05Å; R175-E178 PolarHBondContact NH1-OE1 3.25Å; R175-E178 WeakPolarHBondContact O-CB 3.5Å; R175-E178 PolarHBondContact O-N 2.88Å
176	E	97.3	Very high	97.9	Very high	43 Å²	43	71 Å²	71	20%	0.201	35%	0.352	C	S	.	.	H	α-helix	trans	-57.5	-32.6	-178.5	-73.8	-75.1	166.7	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.2Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.95Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.1Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 2.04Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.36Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.92Å; E176-Q179 PolarHBondContact O-N 2.84Å; E176-R180 WeakPolarHBondContact O-CG 3.39Å; E176-R180 PolarHBondContact O-N 3.03Å
177	A	98.2	Very high	97.9	Very high	10 Å²	10	70.6 Å²	70.6	8%	0.083	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-36.4	177.3	0	0	0	0	0	112.5	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; R175-A177 PolarHBondContact O-N 3.12Å; R175-A177 VanDerWaalsContact O-N 3.16Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 3.33Å; A177-R180 PolarHBondContact O-N 2.9Å; A177-R181 WeakPolarHBondContact O-CB 3.22Å; A177-R181 PolarHBondContact O-N 2.93Å
178	E	97.9	Very high	98	Very high	115 Å²	115	69.7 Å²	69.7	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-41.9	178.7	-63.8	178.9	-179.4	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact NH1-OE1 3.05Å; R175-E178 PolarHBondContact NH1-OE1 3.25Å; R175-E178 WeakPolarHBondContact O-CB 3.5Å; R175-E178 PolarHBondContact O-N 2.88Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.92Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 3.38Å
179	Q	96.6	Very high	97.9	Very high	123 Å²	123	68.2 Å²	68.2	58%	0.575	34%	0.34	S	S	*	.	H	α-helix	trans	-68.4	-41.7	177.5	-61.7	-175.6	15.2	0	0	111.9	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.84Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 3.33Å; Q179-A182 PolarHBondContact O-N 2.9Å; Q179-Y183 PolarHBondContact O-N 3.46Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å
180	R	97.8	Very high	97.9	Very high	70 Å²	70	66.7 Å²	66.7	26%	0.264	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-44	177.4	-61.6	-59.2	168.3	-167.6	-3	111.1	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 4.06Å; W157-R180 HydrophobicContact CH2-CG 4.3Å; E176-R180 WeakPolarHBondContact O-CG 3.39Å; E176-R180 PolarHBondContact O-N 3.03Å; A177-R180 PolarHBondContact O-N 2.9Å; R180-Y183 PolarHBondContact O-N 2.94Å; R180-L184 WeakPolarHBondContact O-CB 3.33Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.39Å; R180-L184 PolarHBondContact O-N 2.9Å
181	R	98.3	Very high	97.9	Very high	70 Å²	70	63.7 Å²	63.7	26%	0.264	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-47.3	175.3	-175.4	172.9	179.8	-134.6	-13.1	112.1	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; R155-R181 VanDerWaalsContact CZ-NH1 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.22Å; A177-R181 PolarHBondContact O-N 2.93Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 3.35Å; R181-L184 VanDerWaalsContact O-N 3.14Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.5Å; R181-E185 VanDerWaalsContact CZ-OE1 3.24Å; R181-E185 IonicContact CZ-OE2 3.68Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.75Å; R181-E185 PolarHBondContact NE-OE1 2.87Å; R181-E185 IonicContact NE-OE2 3.88Å; R181-E185 PolarHBondContact NE-OE2 3.49Å; R181-E185 IonicContact NH2-OE1 3.91Å; R181-E185 PolarHBondContact NH2-OE1 3.34Å; R181-E185 IonicContact NH2-OE2 2.83Å; R181-E185 PolarHBondContact NH2-OE2 3.05Å; R181-E185 WeakPolarHBondContact O-CB 3.48Å; R181-E185 PolarHBondContact O-N 3.3Å
182	A	98.3	Very high	97.9	Very high	64 Å²	64	61.3 Å²	61.3	53%	0.529	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-39.4	177.8	0	0	0	0	0	112.6	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 3.38Å; Q179-A182 PolarHBondContact O-N 2.9Å; A182-G186 PolarHBondContact O-N 3.3Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183	Y	98	Very high	97.8	Very high	57 Å²	57	62.7 Å²	62.7	22%	0.224	32%	0.318	C	S	.	.	I	π-helix	trans	-66.4	-45.8	173.4	171.8	-94.4	0	0	0	112.4	F123 Q179 R180 R181 T187 C188	F123-Y183 AromaticContact CD2-CE1 3.89Å; F123-Y183 HydrophobicContact CD2-CE1 3.89Å; F123-Y183 AromaticContact CE2-CE1 3.88Å; F123-Y183 HydrophobicContact CE2-CE1 3.88Å; Q179-Y183 PolarHBondContact O-N 3.46Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å; R180-Y183 PolarHBondContact O-N 2.94Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.29Å; Y183-T187 HydrophobicContact CD2-CG2 3.87Å; Y183-T187 HydrophobicContact CE2-CG2 3.65Å; Y183-T187 PolarHBondContact O-N 3.33Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.96Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.86Å
184	L	98.4	Very high	97.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	31%	0.306	C	S	.	.	I	π-helix	trans	-70.7	-38.6	-175.1	-70.3	170.8	0	0	0	112.7	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.34Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; R180-L184 WeakPolarHBondContact O-CB 3.33Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.39Å; R180-L184 PolarHBondContact O-N 2.9Å; R181-L184 PolarHBondContact O-N 3.35Å; R181-L184 VanDerWaalsContact O-N 3.14Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å
185	E	98	Very high	97.7	Very high	87 Å²	87	61.8 Å²	61.8	41%	0.407	28%	0.284	S	S	.	.	I	π-helix	trans	-80.6	-24.5	178.1	-69.1	-178.9	165.9	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.23Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.5Å; R181-E185 VanDerWaalsContact CZ-OE1 3.24Å; R181-E185 IonicContact CZ-OE2 3.68Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.75Å; R181-E185 PolarHBondContact NE-OE1 2.87Å; R181-E185 IonicContact NE-OE2 3.88Å; R181-E185 PolarHBondContact NE-OE2 3.49Å; R181-E185 IonicContact NH2-OE1 3.91Å; R181-E185 PolarHBondContact NH2-OE1 3.34Å; R181-E185 IonicContact NH2-OE2 2.83Å; R181-E185 PolarHBondContact NH2-OE2 3.05Å; R181-E185 WeakPolarHBondContact O-CB 3.48Å; R181-E185 PolarHBondContact O-N 3.3Å
186	G	97.8	Very high	97.6	Very high	23 Å²	23	54.9 Å²	54.9	24%	0.237	26%	0.259	C	S	.	.	I	π-helix	trans	-108.2	-91.9	-179.3	0	0	0	0	0	112.2	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.3Å; A182-G186 VanDerWaalsContact O-N 3.15Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact O-N 3.15Å; G186-V189 PolarHBondContact O-N 3.44Å; G186-E190 PolarHBondContact O-N 3.19Å
187	T	97.8	Very high	97.5	Very high	51 Å²	51	58.8 Å²	58.8	31%	0.313	28%	0.277	S	S	.	.	I	π-helix	trans	-48.8	-46.2	-172.4	-53.5	0	0	0	0	113.3	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.87Å; Y183-T187 HydrophobicContact CE2-CG2 3.65Å; Y183-T187 PolarHBondContact O-N 3.33Å; T187-V189 PolarHBondContact O-N 2.9Å; T187-E190 PolarHBondContact O-N 3.01Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.44Å; T187-W191 PolarHBondContact O-N 3.37Å
188	C	98.3	Very high	97.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-47.4	-178.5	-169.9	0	0	0	0	111.7	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.32Å; M29-C188 WeakPolarHBondContact CE-SG 3.37Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 3.04Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.09Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.96Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.86Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact O-N 3.15Å; C188-W191 PolarHBondContact O-N 3.02Å; C188-L192 WeakPolarHBondContact O-CB 3.2Å; C188-L192 PolarHBondContact O-N 2.81Å
189	V	98.1	Very high	97.2	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-45.4	178.2	177.3	0	0	0	0	111.2	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.36Å; L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å; G186-V189 PolarHBondContact O-N 3.44Å; T187-V189 PolarHBondContact O-N 2.9Å; V189-L192 PolarHBondContact O-N 2.62Å; V189-R193 VanDerWaalsContact CG1-CZ 3.49Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 2.85Å
190	E	97.8	Very high	97	Very high	127 Å²	127	55 Å²	55	59%	0.593	26%	0.259	S	S	*	.	H	α-helix	trans	-61.5	-46.1	179.9	-70.7	175.9	177	0	0	112.1	G186 T187 R194	G186-E190 PolarHBondContact O-N 3.19Å; T187-E190 PolarHBondContact O-N 3.01Å; E190-R194 PolarHBondContact O-N 2.96Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	97.8	Very high	96.7	Very high	45 Å²	45	60.2 Å²	60.2	17%	0.17	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-41	179.3	-82	97.5	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.1Å; M29-W191 HydrophobicContact SD-CB 4.46Å; Y83-W191 AromaticContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CH2 3.46Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 AromaticContact CE2-CH2 3.8Å; Y83-W191 HydrophobicContact CE2-CH2 3.8Å; Y83-W191 HydrophobicContact CE2-CZ2 4.44Å; Y83-W191 AromaticContact CE2-CZ3 3.66Å; Y83-W191 HydrophobicContact CE2-CZ3 3.66Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.44Å; T187-W191 PolarHBondContact O-N 3.37Å; C188-W191 PolarHBondContact O-N 3.02Å; W191-R193 PolarHBondContact O-N 2.95Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 3.01Å; W191-Y195 HydrophobicContact CB-CE2 4.13Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.25Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.25Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 2.85Å
192	L	98	Very high	96.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-45	176.4	175.4	49.9	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; 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 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; L127-L192 HydrophobicContact CB-CD2 4.45Å; L127-L192 HydrophobicContact CD1-CB 4.19Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.2Å; C188-L192 PolarHBondContact O-N 2.81Å; V189-L192 PolarHBondContact O-N 2.62Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.95Å; L192-Y195 PolarHBondContact O-N 3.41Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.96Å
193	R	96.4	Very high	95.9	Very high	122 Å²	122	55.6 Å²	55.6	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-42.7	174.2	-71.7	175.7	-175	160.4	-0.6	112.4	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.94Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.89Å; G131-R193 PolarHBondContact O-NH2 2.87Å; V189-R193 VanDerWaalsContact CG1-CZ 3.49Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 2.85Å; W191-R193 PolarHBondContact O-N 2.95Å; R193-L196 PolarHBondContact O-N 3.35Å; R193-E197 PolarHBondContact O-N 3.08Å
194	R	96.4	Very high	95.5	Very high	121 Å²	121	57.2 Å²	57.2	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-43.8	176.7	178.6	177.7	174.3	126.5	-1.6	111.8	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.29Å; E79-R194 IonicContact OE1-CZ 3.97Å; E79-R194 VanDerWaalsContact OE1-CZ 3.32Å; E79-R194 IonicContact OE1-NE 3.57Å; E79-R194 PolarHBondContact OE1-NE 3.02Å; E79-R194 IonicContact OE1-NH2 3.33Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 2.68Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.34Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E190-R194 PolarHBondContact O-N 2.96Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 3.01Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.95Å; R194-E197 PolarHBondContact O-N 3.4Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 3.11Å; R194-N198 PolarHBondContact O-OD1 2.93Å
195	Y	96.9	Very high	95	Very high	1 Å²	1	61 Å²	61	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-39.3	178.4	-62.6	-30.6	0	0	0	112.4	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.82Å; F57-Y195 HydrophobicContact CZ-CD2 4.24Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å; W75-Y195 HydrophobicContact CE3-CD1 4.3Å; W75-Y195 HydrophobicContact CH2-CG 4.29Å; W75-Y195 AromaticContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 HydrophobicContact CZ3-CE1 4.44Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; V76-Y195 HydrophobicContact CG2-CE1 4.42Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.4Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å; W191-Y195 HydrophobicContact CB-CE2 4.13Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.25Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.25Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 2.85Å; L192-Y195 PolarHBondContact O-N 3.41Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.45Å; Y195-N198 PolarHBondContact O-N 3.25Å; Y195-G199 WeakPolarHBondContact O-CA 3.48Å; Y195-G199 PolarHBondContact O-N 3.35Å; Y195-L203 WeakPolarHBondContact O-CD1 3.16Å
196	L	95.6	Very high	94.7	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-35.2	174.7	-70.9	169	0	0	0	112.6	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.96Å; R193-L196 PolarHBondContact O-N 3.35Å; L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.06Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.05Å; L196-K200 VanDerWaalsContact O-N 3.16Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å; L196-Q204 PolarHBondContact O-NE2 2.8Å
197	E	95	Very high	94.6	Very high	125 Å²	125	61 Å²	61	58%	0.584	28%	0.284	S	S	*	.	H	α-helix	trans	-72.6	-48.4	174.5	-171.3	60.8	-151.6	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.4Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.45Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.76Å; E197-K200 WeakPolarHBondContact O-CB 3.02Å; E197-K200 PolarHBondContact O-N 3.35Å
198	N	95.9	Very high	94.5	Very high	52 Å²	52	63.3 Å²	63.3	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-40.5	179.5	-72.8	-3.4	0	0	0	112.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.37Å; W75-N198 WeakPolarHBondContact CB-O 3.49Å; Q78-N198 VanDerWaalsContact NE2-CB 3.32Å; Q78-N198 PolarHBondContact NE2-ND2 3.34Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å; E79-N198 PolarHBondContact OE1-ND2 2.85Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 3.11Å; R194-N198 PolarHBondContact O-OD1 2.93Å; Y195-N198 PolarHBondContact O-N 3.25Å
199	G	94.9	Very high	94.4	Very high	4 Å²	4	63.8 Å²	63.8	4%	0.041	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	20	-175.5	0	0	0	0	0	113.5	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.48Å; Y195-G199 PolarHBondContact O-N 3.35Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.76Å; G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.06Å; G199-E201 VanDerWaalsContact O-N 3.13Å; G199-T202 PolarHBondContact O-N 3.01Å; G199-L203 WeakPolarHBondContact O-CB 3.4Å; G199-L203 PolarHBondContact O-N 2.83Å
200	K	92.6	Very high	94.4	Very high	112 Å²	112	70.9 Å²	70.9	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-50.1	-42	-171.9	-177.8	172.6	-176.5	175.1	0	114	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.06Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.05Å; L196-K200 VanDerWaalsContact O-N 3.16Å; E197-K200 WeakPolarHBondContact O-CB 3.02Å; E197-K200 PolarHBondContact O-N 3.35Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 2.92Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.28Å; K200-Q204 PolarHBondContact O-N 3.16Å; K200-Q204 VanDerWaalsContact O-N 3.14Å
201	E	90.1	Very high	94.4	Very high	181 Å²	181	66.5 Å²	66.5	85%	0.846	31%	0.306	S	S	*	.	H	α-helix	trans	-66.3	-26.5	-180	-62.5	-175.5	168.3	0	0	113.4	G199	G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.06Å; G199-E201 VanDerWaalsContact O-N 3.13Å
202	T	89.4	Confident	94.4	Very high	32 Å²	32	68 Å²	68	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-99.7	-42.1	-178.3	-56.3	0	0	0	0	112.3	G199 K200 R205	G199-T202 PolarHBondContact O-N 3.01Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 2.92Å; T202-R205 WeakPolarHBondContact O-CD 3.39Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.3Å; T202-R205 PolarHBondContact O-NE 3.43Å
203	L	91.1	Very high	94.4	Very high	4 Å²	4	69.2 Å²	69.2	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-88.9	-28.4	-170.9	-63.2	171.5	0	0	0	113.1	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.03Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CH2-CD1 4.27Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.12Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å; Y195-L203 WeakPolarHBondContact O-CD1 3.16Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å; G199-L203 WeakPolarHBondContact O-CB 3.4Å; G199-L203 PolarHBondContact O-N 2.83Å
204	Q	88.4	Confident	94.4	Very high	91 Å²	91	65.1 Å²	65.1	43%	0.425	31%	0.311	S	S	.	.	S	Bend	trans	-102.9	22.9	178.3	-57.5	179.3	31.1	0	0	111.6	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.8Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.28Å; K200-Q204 PolarHBondContact O-N 3.16Å; K200-Q204 VanDerWaalsContact O-N 3.14Å
205	R	89.6	Confident	94.4	Very high	82 Å²	82	61.9 Å²	61.9	31%	0.309	30%	0.301	S	S	.	.			trans	-93.6	147.9	171.9	81.7	-169.8	177.5	-165	4.7	109.4	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.39Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.3Å; T202-R205 PolarHBondContact O-NE 3.43Å; R205-E207 IonicContact CZ-OE1 3.79Å; R205-E207 IonicContact NE-OE1 3.01Å; R205-E207 PolarHBondContact NE-OE1 2.97Å; R205-E207 IonicContact NH2-OE1 2.75Å; R205-Y233 HydrophobicContact CG-CD1 4.08Å; R205-Y233 HydrophobicContact CG-CE1 4.44Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.09Å
206	A	92.1	Very high	94.3	Very high	41 Å²	41	65.7 Å²	65.7	34%	0.339	32%	0.318	S	S	.	.			trans	-121.6	119.2	166.4	0	0	0	0	0	108.4	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.23Å; A206-E288 HydrophobicContact CB-CG 3.98Å
207	E	94.2	Very high	94.2	Very high	69 Å²	69	69.7 Å²	69.7	32%	0.322	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-98.9	118.7	174.9	-68.6	-172.8	-143	0	0	108.9	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.79Å; R205-E207 IonicContact NE-OE1 3.01Å; R205-E207 PolarHBondContact NE-OE1 2.97Å; R205-E207 IonicContact NH2-OE1 2.75Å; E207-F232 WeakPolarHBondContact O-CA 3.32Å; E207-F232 WeakPolarHBondContact O-CB 3.39Å; E207-Y233 PolarHBondContact N-O 3.01Å; E207-Y233 PolarHBondContact O-N 3.42Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-H287 PolarHBondContact O-CE1 3.29Å
208	H	95.3	Very high	94	Very high	100 Å²	100	68.2 Å²	68.2	46%	0.463	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-69.3	144.6	-178.2	-52.2	-107.4	0	0	0	111.8	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.93Å; H208-G289 PolarHBondContact CE1-O 2.98Å; H208-G289 PolarHBondContact ND1-O 3.27Å; H208-L290 HydrophobicContact CB-CD2 4.1Å; H208-L290 WeakPolarHBondContact ND1-CA 3.47Å; H208-L290 PolarHBondContact ND1-N 2.8Å
209	P	97.6	Very high	93.8	Very high	9 Å²	9	68.3 Å²	68.3	6%	0.058	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.2	131	176.8	28	-34.9	0	0	0	112	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.82Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.48Å; P209-L290 HydrophobicContact CG-CG 4.23Å
210	K	97.9	Very high	93.5	Very high	157 Å²	157	75.2 Å²	75.2	68%	0.683	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	104	164.9	-65.4	171.3	-172.3	163.4	0	108.3	H208 L230	H208-K210 PolarHBondContact O-N 2.93Å; K210-L230 WeakPolarHBondContact CB-O 3.38Å; K210-L230 PolarHBondContact N-O 3.41Å; K210-L230 PolarHBondContact O-N 2.92Å; K210-L230 VanDerWaalsContact O-N 3.13Å
211	T	97.8	Very high	93.5	Very high	34 Å²	34	76.8 Å²	76.8	21%	0.209	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.1	-172	56.6	0	0	0	0	113.4	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.82Å; T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; T211-L294 HydrophobicContact CG2-CD1 4.32Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.41Å
212	H	97.1	Very high	93.8	Very high	78 Å²	78	72.6 Å²	72.6	36%	0.361	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.5	170.7	63.8	-75.1	0	0	0	111.3	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.26Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.02Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 2.94Å
213	V	98	Very high	94.1	Very high	24 Å²	24	71.1 Å²	71.1	15%	0.145	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	177	-178.5	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.38Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.85Å; V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.6	Very high	94.4	Very high	36 Å²	36	72 Å²	72	22%	0.221	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	149.1	175.2	49.5	0	0	0	0	110.1	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.04Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; T214-R226 PolarHBondContact N-O 3.4Å; T214-R226 PolarHBondContact O-N 3.36Å; T214-R226 WeakPolarHBondContact OG1-CB 3.46Å; T214-R226 PolarHBondContact OG1-O 2.92Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 3.21Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å
215	H	95.9	Very high	94.8	Very high	53 Å²	53	67.6 Å²	67.6	25%	0.245	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.9	-178	168.9	-88.6	0	0	0	109.5	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.98Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact CG-NE1 4Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	94.4	Very high	95.2	Very high	81 Å²	81	66.1 Å²	66.1	38%	0.375	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	105.8	-178.5	-57	82.7	0	0	0	108.8	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.04Å; H216-V218 PolarHBondContact O-N 2.92Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; H216-T224 PolarHBondContact N-O 3.24Å; H216-T224 PolarHBondContact O-N 2.92Å; H216-R226 PolarHBondContact CE1-NH1 3.12Å; H216-R226 VanDerWaalsContact CE1-NH1 3.33Å
217	P	93.6	Very high	95.5	Very high	99 Å²	99	64.2 Å²	64.2	64%	0.643	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	131	172.9	-19	29.5	0	0	0	110.4
218	V	91.1	Very high	95.7	Very high	94 Å²	94	63.2 Å²	63.2	57%	0.57	32%	0.322	S	S	*	.			trans	-103.7	-42	175.9	-178.9	0	0	0	0	109.9	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.92Å; V218-E222 PolarHBondContact N-O 2.86Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.31Å
219	S	92.1	Very high	95.8	Very high	53 Å²	53	58.4 Å²	58.4	37%	0.371	30%	0.3	S	S	.	.	S	Bend	trans	-146.6	-178	174.9	73.3	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 2.91Å; S219-H221 PolarHBondContact OG-N 3.46Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.12Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.06Å
220	D	89.4	Confident	95.9	Very high	149 Å²	149	60.5 Å²	60.5	80%	0.797	31%	0.31	S	S	*	.	S	Bend	trans	-63.9	-20.3	172.7	-66.2	-24.5	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.3Å
221	H	92.4	Very high	95.8	Very high	146 Å²	146	53.9 Å²	53.9	68%	0.676	29%	0.287	S	S	*	.	S	Bend	trans	-106.8	-15.5	-174.3	-55.6	-49.5	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.91Å; S219-H221 PolarHBondContact OG-N 3.46Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 WeakPolarHBondContact O-CA 3.19Å; H221-S275 PolarHBondContact O-N 2.83Å; H221-S275 PolarHBondContact O-OG 3.5Å
222	E	95.1	Very high	95.8	Very high	92 Å²	92	52.2 Å²	52.2	43%	0.43	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.9	-171.8	-66.5	178.2	175.5	0	0	112.4	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact N-O 3.12Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.06Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; E222-V273 WeakPolarHBondContact CA-O 3.24Å; E222-S275 PolarHBondContact N-OG 3.26Å
223	A	95.6	Very high	95.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.7	171.3	0	0	0	0	0	110.8	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.18Å; A223-V273 WeakPolarHBondContact O-CG2 3.48Å; A223-V273 PolarHBondContact O-N 2.99Å
224	T	97.2	Very high	95.6	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.2	170.8	-54.2	0	0	0	0	109.7	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.24Å; H216-T224 PolarHBondContact O-N 2.92Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.31Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.37Å
225	L	97.8	Very high	95.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.8	165.5	-64.1	-175.9	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.12Å; L225-V271 PolarHBondContact O-N 2.97Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.98Å
226	R	98.1	Very high	95.6	Very high	51 Å²	51	51.7 Å²	51.7	19%	0.192	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.7	176.5	-175.7	-179.4	-63.6	116	3.1	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.38Å; T214-R226 PolarHBondContact N-O 3.4Å; T214-R226 PolarHBondContact O-N 3.36Å; T214-R226 WeakPolarHBondContact OG1-CB 3.46Å; T214-R226 PolarHBondContact OG1-O 2.92Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; H216-R226 PolarHBondContact CE1-NH1 3.12Å; H216-R226 VanDerWaalsContact CE1-NH1 3.33Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4.04Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.47Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.3	Very high	95.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.2	174.7	-171.1	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 WeakPolarHBondContact O-CB 3.47Å; C227-A269 PolarHBondContact N-O 2.89Å; C227-A269 PolarHBondContact O-N 2.79Å; C227-C283 HydrophobicContact CB-CB 3.54Å; C227-C283 WeakPolarHBondContact CB-SG 3.09Å; C227-C283 WeakPolarHBondContact SG-CB 3.42Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.06Å
228	W	98.4	Very high	95.8	Very high	48 Å²	48	46.5 Å²	46.5	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.4	179.8	-69.5	89.9	0	0	0	110.3	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.37Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.26Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.02Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 2.94Å; T214-W228 PolarHBondContact OG1-NE1 3.21Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.92Å; W228-L230 HydrophobicContact CZ3-CD2 4.47Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.8	162.7	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.44Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; A229-K267 PolarHBondContact N-O 3.4Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.2	Very high	96.4	Very high	52 Å²	52	41.5 Å²	41.5	27%	0.272	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.8	-174.5	-58.6	176.9	0	0	0	111	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.38Å; K210-L230 PolarHBondContact N-O 3.41Å; K210-L230 PolarHBondContact O-N 2.92Å; K210-L230 VanDerWaalsContact O-N 3.13Å; W228-L230 HydrophobicContact CE3-CD2 3.92Å; W228-L230 HydrophobicContact CZ3-CD2 4.47Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	97.2	Very high	96.8	Very high	18 Å²	18	34.5 Å²	34.5	19%	0.186	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.4	38.5	168.6	0	0	0	0	0	113.4	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.38Å; G231-F265 PolarHBondContact N-O 2.85Å
232	F	97.1	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	155.6	178.6	59.2	-90.6	0	0	0	112.2	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.32Å; E207-F232 WeakPolarHBondContact O-CB 3.39Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.44Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; F232-T264 WeakPolarHBondContact O-CA 3.41Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; 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 2.93Å; F232-F265 PolarHBondContact O-N 2.82Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	95.4	Very high	97.1	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.012	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-151.7	136.2	174.1	178.3	-84.4	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.08Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.47Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; R205-Y233 HydrophobicContact CG-CD1 4.08Å; R205-Y233 HydrophobicContact CG-CE1 4.44Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.09Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.23Å; E207-Y233 PolarHBondContact N-O 3.01Å; E207-Y233 PolarHBondContact O-N 3.42Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.25Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; Y233-H287 PolarHBondContact O-CE1 3.32Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å
234	P	95.1	Very high	96.9	Very high	18 Å²	18	33.7 Å²	33.7	12%	0.117	17%	0.172	C	C	.	.	S	Bend	cis	-71.5	178.9	1.9	30.3	-36.8	0	0	0	113.4	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 2.86Å; P234-H287 PolarHBondContact O-NE2 3.21Å; P234-E288 HydrophobicContact CG-CB 4.29Å
235	A	96.2	Very high	96.6	Very high	14 Å²	14	35 Å²	35	12%	0.116	19%	0.189	C	C	.	.	S	Bend	trans	-70.5	-25.8	-175.2	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 3.06Å; A235-I237 PolarHBondContact O-N 2.63Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95.7	Very high	96.4	Very high	145 Å²	145	41.1 Å²	41.1	68%	0.678	22%	0.218	S	C	*	.			trans	-64.2	116.8	179.4	-171.8	59.1	-146.8	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 2.86Å; E236-H287 PolarHBondContact O-CD2 2.82Å
237	I	96.4	Very high	96.2	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	142.3	-178.3	-164.1	171	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 2.63Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	97.1	Very high	96	Very high	59 Å²	59	44.6 Å²	44.6	36%	0.362	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124	174.5	-60.3	0	0	0	0	110.3	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T238-V285 WeakPolarHBondContact O-CA 3.34Å; T238-Q286 PolarHBondContact N-O 3.47Å; T238-Q286 PolarHBondContact O-N 2.99Å
239	L	97.7	Very high	95.5	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.7	173.4	-86.4	64	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.43Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.3Å
240	T	97.3	Very high	95	Very high	36 Å²	36	56.5 Å²	56.5	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.5	175.6	58.5	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.2Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 3.16Å
241	W	98	Very high	94.4	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.1	167.9	-82.1	106.1	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.47Å; W241-A269 PolarHBondContact NE1-O 2.85Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG1 3.62Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å
242	Q	97.4	Very high	94.3	Very high	39 Å²	39	59.5 Å²	59.5	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.6	172.9	-70.3	-174.5	-7.5	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.32Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.3Å; Q242-D247 PolarHBondContact NE2-OD1 3.21Å; Q242-Y281 CarbonylContact O-C 3.56Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; Q242-T282 PolarHBondContact N-O 3.26Å; Q242-T282 PolarHBondContact O-N 2.91Å; Q242-H284 PolarHBondContact OE1-CE1 3.32Å; Q242-H284 PolarHBondContact OE1-NE2 3.16Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.12Å
243	W	95.7	Very high	94.2	Very high	77 Å²	77	64.9 Å²	64.9	29%	0.292	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.6	170.3	178	66.1	0	0	0	108.4	G245 E246 Q248 R280 Y281	W243-G245 PolarHBondContact O-N 2.74Å; W243-E246 PolarHBondContact N-O 3.02Å; W243-E246 PolarHBondContact O-N 3.05Å; W243-Q248 HydrophobicContact CB-CG 3.95Å; W243-R280 VanDerWaalsContact CE2-NH2 3.27Å; W243-Y281 HydrophobicContact CB-CD1 4.23Å; W243-Y281 HydrophobicContact CB-CE1 3.98Å; W243-Y281 AromaticContact CD1-CD2 3.99Å; W243-Y281 AromaticContact CD1-CE2 3.58Å; W243-Y281 AromaticContact CD1-CZ 3.63Å; W243-Y281 HydrophobicContact CG-CE1 4.25Å; W243-Y281 HydrophobicContact CG-CE2 4.49Å
244	D	93.1	Very high	94.3	Very high	106 Å²	106	69 Å²	69	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	30.3	-173	-68.2	-21.8	0	0	0	114.7	R280	D244-R280 PolarHBondContact N-O 3.05Å; D244-R280 IonicContact OD1-NE 3.68Å; D244-R280 IonicContact OD2-CZ 3.54Å; D244-R280 IonicContact OD2-NE 2.87Å; D244-R280 PolarHBondContact OD2-NE 3.21Å; D244-R280 IonicContact OD2-NH2 2.76Å; D244-R280 PolarHBondContact OD2-NH2 3.46Å
245	G	89.9	Confident	94.3	Very high	48 Å²	48	69.7 Å²	69.7	50%	0.495	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-2.2	-179.9	0	0	0	0	0	115.4	W243	W243-G245 PolarHBondContact O-N 2.74Å
246	E	94	Very high	94.3	Very high	130 Å²	130	76.7 Å²	76.7	61%	0.607	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.4	176.5	-63.5	-172.2	171.3	0	0	111.8	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.32Å; W243-E246 PolarHBondContact N-O 3.02Å; W243-E246 PolarHBondContact O-N 3.05Å; E246-Q248 PolarHBondContact O-NE2 3.26Å
247	D	94.1	Very high	94.4	Very high	96 Å²	96	71.8 Å²	71.8	51%	0.513	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.1	-178.9	-70.6	-25.6	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.3Å; Q242-D247 PolarHBondContact NE2-OD1 3.21Å
248	Q	93.8	Very high	94.5	Very high	28 Å²	28	76 Å²	76	13%	0.131	39%	0.394	C	S	.	.			trans	-103.8	40.5	-177	-58.6	-59.2	-62.1	0	0	112.2	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.47Å; W243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-NE2 3.26Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.11Å; Q248-D251 PolarHBondContact O-N 3.24Å; Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 3.23Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 2.71Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	87.8	Confident	94.5	Very high	108 Å²	108	77.6 Å²	77.6	66%	0.663	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.5	-169.7	-47	0	0	0	0	113.9
250	Q	87.6	Confident	94.4	Very high	189 Å²	189	79.6 Å²	79.6	88%	0.883	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-33.1	-177.7	-66.5	-174.8	9.2	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.11Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	86	Confident	94.2	Very high	111 Å²	111	81.5 Å²	81.5	59%	0.594	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	1.3	-177.8	-56.7	-53.9	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.24Å
252	T	94	Very high	93.9	Very high	22 Å²	22	86.9 Å²	86.9	14%	0.135	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.4	178.5	-64.4	0	0	0	0	110.9	Q248 Q250 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 3.23Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 2.71Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.44Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.39Å
253	E	96.2	Very high	93.6	Very high	114 Å²	114	86.9 Å²	86.9	53%	0.533	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	105.5	163.1	-174	-173.5	-172.3	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 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.37Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.41Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.83Å; E253-A270 PolarHBondContact O-N 3.22Å
254	L	96.4	Very high	93.6	Very high	89 Å²	89	83.6 Å²	83.6	47%	0.466	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.3	177.1	-173.6	68.1	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.44Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
255	V	96.4	Very high	93.8	Very high	33 Å²	33	79.8 Å²	79.8	20%	0.2	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-86.3	153.3	174.1	-64.6	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.48Å; V255-K267 WeakPolarHBondContact O-CG 3.23Å; V255-K267 PolarHBondContact O-NZ 2.83Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.71Å; V255-W268 HydrophobicContact CG2-CE3 4.42Å; V255-W268 HydrophobicContact CG2-CG 3.7Å; V255-W268 HydrophobicContact CG2-CZ2 4.35Å; V255-W268 WeakPolarHBondContact CG2-O 3.3Å; V255-W268 PolarHBondContact N-O 2.8Å
256	E	96.4	Very high	94.2	Very high	160 Å²	160	79.6 Å²	79.6	75%	0.748	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-58.3	147.6	169.1	-67.8	-58	159.7	0	0	111.9	R258	E256-R258 PolarHBondContact O-N 2.81Å
257	T	97.7	Very high	94.4	Very high	42 Å²	42	74.2 Å²	74.2	26%	0.258	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-67	129.9	174.8	-56.5	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å
258	R	97.1	Very high	94.6	Very high	99 Å²	99	70.9 Å²	70.9	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.3	-174.8	68.5	-168.5	-179.8	178	5.7	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.81Å; R258-F265 WeakPolarHBondContact O-CA 3.23Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.33Å; R258-Q266 WeakPolarHBondContact O-CG 3.3Å; R258-Q266 PolarHBondContact O-N 2.73Å
259	P	97	Very high	94.8	Very high	94 Å²	94	69.5 Å²	69.5	61%	0.61	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	144.7	177.4	28.5	-34.5	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CE1 4.33Å
260	A	96.4	Very high	95.3	Very high	49 Å²	49	64.5 Å²	64.5	41%	0.405	36%	0.36	S	S	.	.			trans	-88.4	-18.6	173.2	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.33Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.1Å
261	G	92.7	Very high	95.8	Very high	76 Å²	76	55.6 Å²	55.6	78%	0.784	32%	0.319	S	S	*	.	S	Bend	trans	97.4	-5.9	178.4	0	0	0	0	0	115
262	D	92.1	Very high	96.3	Very high	114 Å²	114	54 Å²	54	61%	0.61	31%	0.313	S	S	*	.	S	Bend	trans	-106.2	13	176	60	1.2	0	0	0	112.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.33Å; D262-T264 WeakPolarHBondContact OD1-CB 3.18Å; D262-T264 PolarHBondContact OD1-N 2.87Å; D262-T264 PolarHBondContact OD1-OG1 3.15Å
263	G	90.9	Very high	96.4	Very high	40 Å²	40	52.9 Å²	52.9	41%	0.412	31%	0.306	S	S	.	.	S	Bend	trans	88.8	-1.8	-173.8	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.25Å
264	T	96.2	Very high	96.4	Very high	7 Å²	7	50 Å²	50	4%	0.043	30%	0.297	C	S	.	.			trans	-104.8	173	174.6	74	0	0	0	0	112.5	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.38Å; F232-T264 WeakPolarHBondContact O-CA 3.41Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.1Å; D262-T264 WeakPolarHBondContact OD1-CB 3.18Å; D262-T264 PolarHBondContact OD1-N 2.87Å; D262-T264 PolarHBondContact OD1-OG1 3.15Å
265	F	97.9	Very high	96.2	Very high	27 Å²	27	48.5 Å²	48.5	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	163.4	-177.2	-63.8	-86	0	0	0	112.5	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.71Å; G231-F265 PolarHBondContact N-O 2.85Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; 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 2.93Å; F232-F265 PolarHBondContact O-N 2.82Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.23Å; P259-F265 HydrophobicContact CB-CE1 4.33Å
266	Q	98.2	Very high	95.9	Very high	44 Å²	44	50 Å²	50	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.2	174.5	43.9	168.3	-20.3	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.33Å; R258-Q266 WeakPolarHBondContact O-CG 3.3Å; R258-Q266 PolarHBondContact O-N 2.73Å
267	K	98.4	Very high	95.8	Very high	16 Å²	16	45.4 Å²	45.4	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.3	177.1	-161.5	-176.5	-172.1	69.9	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.4Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.48Å; V255-K267 WeakPolarHBondContact O-CG 3.23Å; V255-K267 PolarHBondContact O-NZ 2.83Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å
268	W	98.2	Very high	95.6	Very high	26 Å²	26	44.4 Å²	44.4	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.5	169.3	59.6	-99.9	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.04Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 WeakPolarHBondContact O-CB 3.47Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.93Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.37Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.71Å; V255-W268 HydrophobicContact CG2-CE3 4.42Å; V255-W268 HydrophobicContact CG2-CG 3.7Å; V255-W268 HydrophobicContact CG2-CZ2 4.35Å; V255-W268 WeakPolarHBondContact CG2-O 3.3Å; V255-W268 PolarHBondContact N-O 2.8Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.2	Very high	95.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.9	174.1	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.47Å; C227-A269 PolarHBondContact N-O 2.89Å; C227-A269 PolarHBondContact O-N 2.79Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 2.85Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.41Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
270	A	97.8	Very high	95.5	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.4	179.4	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.39Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.83Å; E253-A270 PolarHBondContact O-N 3.22Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.4	Very high	95.5	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.7	176	62.5	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.37Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.12Å; L225-V271 PolarHBondContact O-N 2.97Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG1 3.62Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG1-CE1 4.47Å; V271-Y281 HydrophobicContact CG2-CD1 4.48Å; V271-Y281 HydrophobicContact CG2-CE1 4.11Å
272	V	96.9	Very high	95.7	Very high	76 Å²	76	39 Å²	39	46%	0.461	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.6	171.5	-178.4	0	0	0	0	107.9	E222	E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.33Å
273	V	96	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.8	-175	-52.8	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.24Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.18Å; A223-V273 WeakPolarHBondContact O-CG2 3.48Å; A223-V273 PolarHBondContact O-N 2.99Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.64Å; V273-Y281 HydrophobicContact CG1-CD1 3.78Å; V273-Y281 HydrophobicContact CG1-CD2 3.55Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.6	Very high	96.3	Very high	52 Å²	52	33.3 Å²	33.3	34%	0.338	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	139.5	170.3	-20.2	32.3	0	0	0	111.5	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.19Å; P274-G276 PolarHBondContact O-N 3.41Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.17Å; P274-E277 PolarHBondContact O-N 3.01Å
275	S	91.8	Very high	96.4	Very high	58 Å²	58	33 Å²	33	41%	0.406	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	125.8	174.5	-65.4	0	0	0	0	110.7	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.3Å; H221-S275 PolarHBondContact O-N 2.83Å; H221-S275 PolarHBondContact O-OG 3.5Å; E222-S275 PolarHBondContact N-OG 3.26Å; S275-E278 WeakPolarHBondContact CA-OE1 3.19Å
276	G	91	Very high	96.4	Very high	65 Å²	65	36.6 Å²	36.6	67%	0.67	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	-9.1	-178.8	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.36Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 3.31Å; G276-E278 PolarHBondContact N-OE2 3.04Å
277	E	94.3	Very high	96.3	Very high	64 Å²	64	35 Å²	35	30%	0.299	19%	0.193	S	C	.	.			trans	-98.2	3.2	175.9	-65	-158.2	-155.3	0	0	113.5	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.17Å; P274-E277 PolarHBondContact O-N 3.01Å; E277-Q279 PolarHBondContact O-N 3.17Å; E277-R280 WeakPolarHBondContact O-CB 3.16Å; E277-R280 PolarHBondContact O-N 3.1Å; E277-R280 IonicContact OE1-NH1 3.66Å; E277-R280 IonicContact OE2-CZ 3.18Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 3.42Å; E277-Y281 HydrophobicContact CB-CE2 4.37Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å
278	E	94.4	Very high	96	Very high	21 Å²	21	37.3 Å²	37.3	10%	0.098	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-58.8	-29.1	-170.3	-55.2	83.3	177.2	0	0	113.1	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.98Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; S275-E278 WeakPolarHBondContact CA-OE1 3.19Å; G276-E278 WeakPolarHBondContact CA-OE2 3.36Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 3.31Å; G276-E278 PolarHBondContact N-OE2 3.04Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.86Å; E278-Y281 PolarHBondContact O-N 2.72Å; E278-W298 HydrophobicContact CB-CD2 4.46Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	94.5	Very high	95.6	Very high	88 Å²	88	36.7 Å²	36.7	41%	0.411	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-75.1	-16.2	-179.5	-63.6	-56.9	-52	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.17Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å; Q279-W298 PolarHBondContact NE2-O 3.46Å
280	R	95.8	Very high	95.4	Very high	88 Å²	88	37.4 Å²	37.4	33%	0.332	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-78.5	-19.2	174	-61.4	176	69.4	-169.5	1	112.1	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.27Å; D244-R280 PolarHBondContact N-O 3.05Å; D244-R280 IonicContact OD1-NE 3.68Å; D244-R280 IonicContact OD2-CZ 3.54Å; D244-R280 IonicContact OD2-NE 2.87Å; D244-R280 PolarHBondContact OD2-NE 3.21Å; D244-R280 IonicContact OD2-NH2 2.76Å; D244-R280 PolarHBondContact OD2-NH2 3.46Å; E277-R280 WeakPolarHBondContact O-CB 3.16Å; E277-R280 PolarHBondContact O-N 3.1Å; E277-R280 IonicContact OE1-NH1 3.66Å; E277-R280 IonicContact OE2-CZ 3.18Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 3.42Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.86Å
281	Y	96.9	Very high	95.1	Very high	18 Å²	18	43 Å²	43	7%	0.071	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.8	179.6	-69.7	-95.2	0	0	0	111.3	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.56Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; W243-Y281 HydrophobicContact CB-CD1 4.23Å; W243-Y281 HydrophobicContact CB-CE1 3.98Å; W243-Y281 AromaticContact CD1-CD2 3.99Å; W243-Y281 AromaticContact CD1-CE2 3.58Å; W243-Y281 AromaticContact CD1-CZ 3.63Å; W243-Y281 HydrophobicContact CG-CE1 4.25Å; W243-Y281 HydrophobicContact CG-CE2 4.49Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG1-CE1 4.47Å; V271-Y281 HydrophobicContact CG2-CD1 4.48Å; V271-Y281 HydrophobicContact CG2-CE1 4.11Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.64Å; V273-Y281 HydrophobicContact CG1-CD1 3.78Å; V273-Y281 HydrophobicContact CG1-CD2 3.55Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.37Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å; E278-Y281 PolarHBondContact O-N 2.72Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å
282	T	97.7	Very high	94.9	Very high	11 Å²	11	50 Å²	50	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.5	174.8	46.3	0	0	0	0	110.8	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 3.26Å; Q242-T282 PolarHBondContact O-N 2.91Å; T282-H284 PolarHBondContact OG1-NE2 2.93Å; T282-H284 VanDerWaalsContact OG1-NE2 3.11Å; T282-T295 HydrophobicContact CG2-CG2 3.86Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; T282-R297 HydrophobicContact CG2-CG 3.59Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	98	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129	169.7	173.2	0	0	0	0	109.4	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.54Å; C227-C283 WeakPolarHBondContact CB-SG 3.09Å; C227-C283 WeakPolarHBondContact SG-CB 3.42Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.06Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.2Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.37Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.07Å; C283-L296 PolarHBondContact O-N 3.37Å
284	H	97.8	Very high	94.9	Very high	34 Å²	34	53 Å²	53	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.1	176.7	-66.1	-111.1	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.39Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 3.16Å; Q242-H284 PolarHBondContact OE1-CE1 3.32Å; Q242-H284 PolarHBondContact OE1-NE2 3.16Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.12Å; T282-H284 PolarHBondContact OG1-NE2 2.93Å; T282-H284 VanDerWaalsContact OG1-NE2 3.11Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; H284-T295 PolarHBondContact CE1-OG1 2.82Å; H284-T295 PolarHBondContact ND1-OG1 3.49Å
285	V	97.9	Very high	95	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121	-178.3	-174.9	0	0	0	0	109.1	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.34Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.3Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.45Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.34Å; V285-L294 PolarHBondContact O-N 2.99Å; V285-L296 HydrophobicContact CG2-CD1 3.69Å
286	Q	97.4	Very high	95.2	Very high	103 Å²	103	53.2 Å²	53.2	48%	0.481	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.6	174.5	-55.8	179.3	19.9	0	0	108.9	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; T238-Q286 PolarHBondContact N-O 3.47Å; T238-Q286 PolarHBondContact O-N 2.99Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	95.7	Very high	95.5	Very high	11 Å²	11	57.1 Å²	57.1	5%	0.051	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	150.5	-176.8	-174	-100.2	0	0	0	110.2	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.32Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 3.21Å; E236-H287 PolarHBondContact O-CD2 2.82Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 VanDerWaalsContact C-N 3.31Å; H287-G289 PolarHBondContact CE1-N 3.47Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 2.87Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.28Å; H287-L290 PolarHBondContact O-N 2.68Å
288	E	91.8	Very high	95.5	Very high	64 Å²	64	56.2 Å²	56.2	30%	0.299	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-37	178.6	175.8	147.1	-169.2	0	0	116.1	W23 A206 P234 L290	W23-E288 HydrophobicContact CD2-CG 4.21Å; W23-E288 HydrophobicContact CE3-CB 3.66Å; W23-E288 HydrophobicContact CE3-CG 3.18Å; W23-E288 HydrophobicContact CH2-CB 3.68Å; W23-E288 HydrophobicContact CH2-CG 4.2Å; W23-E288 HydrophobicContact CZ3-CB 3.08Å; W23-E288 VanDerWaalsContact CZ3-CD 3.45Å; W23-E288 HydrophobicContact CZ3-CG 3.22Å; A206-E288 HydrophobicContact CB-CG 3.98Å; P234-E288 HydrophobicContact CG-CB 4.29Å; E288-L290 PolarHBondContact O-N 2.89Å
289	G	90.9	Very high	95.3	Very high	12 Å²	12	63.6 Å²	63.6	12%	0.124	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-44.8	173.3	0	0	0	0	0	109.9	H208 H287	H208-G289 PolarHBondContact CE1-O 2.98Å; H208-G289 PolarHBondContact ND1-O 3.27Å; H287-G289 VanDerWaalsContact C-N 3.31Å; H287-G289 PolarHBondContact CE1-N 3.47Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 2.87Å
290	L	93.8	Very high	94.6	Very high	15 Å²	15	63.2 Å²	63.2	8%	0.079	32%	0.317	C	S	.	.			trans	-71.1	127.1	-165.5	-63.8	169.5	0	0	0	112.9	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.1Å; H208-L290 WeakPolarHBondContact ND1-CA 3.47Å; H208-L290 PolarHBondContact ND1-N 2.8Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.48Å; P209-L290 HydrophobicContact CG-CG 4.23Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.28Å; H287-L290 PolarHBondContact O-N 2.68Å; E288-L290 PolarHBondContact O-N 2.89Å; L290-E292 WeakPolarHBondContact CB-O 3.49Å; L290-E292 PolarHBondContact O-N 3.07Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD2 4.43Å; L290-L294 HydrophobicContact CD2-CG 3.86Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	92.1	Very high	93.2	Very high	119 Å²	119	63.8 Å²	63.8	77%	0.773	33%	0.334	S	S	*	.	S	Bend	trans	-66.1	-30.7	175.8	28.2	-34.7	0	0	0	111.8
292	E	93.4	Very high	91	Very high	152 Å²	152	68.2 Å²	68.2	71%	0.71	37%	0.368	S	S	*	.	S	Bend	trans	-140.9	148.1	174.2	-66.3	-178	179.4	0	0	109.2	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.49Å; L290-E292 PolarHBondContact O-N 3.07Å; E292-L294 PolarHBondContact O-N 3.32Å
293	P	95.5	Very high	88.4	Confident	76 Å²	76	75.3 Å²	75.3	49%	0.494	40%	0.4	S	S	.	.			trans	-53.8	139.9	174.1	-27.3	36	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.45Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	96.7	Very high	85.9	Confident	62 Å²	62	79.8 Å²	79.8	33%	0.325	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	138.8	176.2	-64.1	177.5	0	0	0	110.7	T211 H284 V285 L290 E292 L296	T211-L294 HydrophobicContact CG2-CD1 4.32Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.34Å; V285-L294 PolarHBondContact O-N 2.99Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD2 4.43Å; L290-L294 HydrophobicContact CD2-CG 3.86Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.47Å; E292-L294 PolarHBondContact O-N 3.32Å; L294-L296 HydrophobicContact CB-CD1 4.48Å
295	T	97.4	Very high	83.6	Confident	84 Å²	84	84.6 Å²	84.6	52%	0.515	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	169.5	-57.4	0	0	0	0	109.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.86Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.37Å; H284-T295 PolarHBondContact CE1-OG1 2.82Å; H284-T295 PolarHBondContact ND1-OG1 3.49Å
296	L	96.8	Very high	81.6	Confident	31 Å²	31	89 Å²	89	16%	0.162	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.7	-176.4	-62.2	127.1	0	0	0	110.4	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.41Å; V213-L296 HydrophobicContact CG2-CB 3.85Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.07Å; C283-L296 PolarHBondContact O-N 3.37Å; V285-L296 HydrophobicContact CG2-CD1 3.69Å; L294-L296 HydrophobicContact CB-CD1 4.48Å
297	R	95.8	Very high	79.7	Confident	147 Å²	147	88.1 Å²	88.1	56%	0.555	49%	0.487	S	S	*	.			trans	-118.3	154.7	165.9	-69.3	-175	-179.5	160.1	0.1	109.3	T282 K299	T282-R297 HydrophobicContact CG2-CG 3.59Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-K299 PolarHBondContact O-N 2.84Å
298	W	95.5	Very high	78.1	Confident	44 Å²	44	93.3 Å²	93.3	17%	0.167	51%	0.514	C	S	.	.			trans	-64	126.6	168.2	171.4	60.4	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact CG-NE1 4Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.98Å; E278-W298 HydrophobicContact CB-CD2 4.46Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 3.46Å; W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.34Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.13Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å
299	K	89.1	Confident	76.5	Confident	176 Å²	176	96.1 Å²	96.1	77%	0.765	54%	0.535	S	S	*	.			trans	-106.9	120	170.8	-69.4	-176.9	-179.2	177.2	0	108.1	R297 S301	R297-K299 PolarHBondContact O-N 2.84Å; K299-S301 PolarHBondContact O-N 2.9Å
300	P	81.6	Confident	75.4	Confident	81 Å²	81	97.6 Å²	97.6	53%	0.526	55%	0.551	S	S	.	*			trans	-54.7	128.7	170.7	-21.5	30.9	0	0	0	109	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.34Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.13Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å; P300-S302 PolarHBondContact O-N 3.11Å
301	S	65.7	Low	74.4	Confident	100 Å²	100	101.3 Å²	101.3	70%	0.699	57%	0.57	S	S	*	*			trans	-59.6	109.7	175.1	177.1	0	0	0	0	108.6	K299 Q303	K299-S301 PolarHBondContact O-N 2.9Å; S301-Q303 PolarHBondContact O-N 2.85Å; S301-Q303 PolarHBondContact OG-N 3.12Å
302	S	50.5	Low	73.6	Confident	111 Å²	111	100 Å²	100	78%	0.776	56%	0.559	S	S	*	*			trans	-77.9	60.5	165.6	59.5	0	0	0	0	108.8	P300 P304	P300-S302 PolarHBondContact O-N 3.11Å; S302-P304 VanDerWaalsContact C-CD 3.46Å; S302-P304 WeakPolarHBondContact O-CD 3.48Å
303	Q	43.9	Very low	72.7	Confident	159 Å²	159	95.3 Å²	95.3	74%	0.743	55%	0.546	S	S	*	.			trans	-85.7	98.2	152.7	-85.3	-169.6	-24.6	0	0	105.9	S301 T305	S301-Q303 PolarHBondContact O-N 2.85Å; S301-Q303 PolarHBondContact OG-N 3.12Å; Q303-T305 PolarHBondContact O-N 3.45Å
304	P	44.4	Very low	72.1	Confident	95 Å²	95	93.2 Å²	93.2	62%	0.617	54%	0.539	S	S	*	.			trans	-61.9	116.4	158.9	29.1	-30.9	0	0	0	104.8	S302 I306	S302-P304 VanDerWaalsContact C-CD 3.46Å; S302-P304 WeakPolarHBondContact O-CD 3.48Å; P304-I306 HydrophobicContact CB-CD1 4.45Å; P304-I306 HydrophobicContact CB-CG1 3.75Å; P304-I306 HydrophobicContact CG-CD1 4.09Å; P304-I306 HydrophobicContact CG-CG1 3.88Å; P304-I306 PolarHBondContact O-N 3.34Å
305	T	50.6	Low	71.6	Confident	134 Å²	134	95.5 Å²	95.5	82%	0.822	55%	0.551	S	S	*	*			trans	-64.9	70.8	156.7	-44.9	0	0	0	0	106	Q303 P307	Q303-T305 PolarHBondContact O-N 3.45Å; T305-P307 VanDerWaalsContact O-CD 3.24Å; T305-P307 WeakPolarHBondContact O-CD 3.1Å; T305-P307 VanDerWaalsContact O-N 3.15Å
306	I	54.8	Low	70.9	Confident	92 Å²	92	94.1 Å²	94.1	47%	0.472	55%	0.548	S	S	.	.			trans	-60.4	118.8	165.1	-58.3	179.5	0	0	0	102.8	P304 I308 I311	P304-I306 HydrophobicContact CB-CD1 4.45Å; P304-I306 HydrophobicContact CB-CG1 3.75Å; P304-I306 HydrophobicContact CG-CD1 4.09Å; P304-I306 HydrophobicContact CG-CG1 3.88Å; P304-I306 PolarHBondContact O-N 3.34Å; I306-I308 HydrophobicContact CB-CG1 4.31Å; I306-I308 HydrophobicContact CG2-CG1 4.16Å; I306-I308 PolarHBondContact O-N 2.8Å; I306-I311 HydrophobicContact CG2-CD1 3.89Å
307	P	58.3	Low	70.3	Confident	86 Å²	86	96.8 Å²	96.8	56%	0.558	57%	0.565	S	S	*	*			trans	-72.9	77.6	176.6	31	-31.8	0	0	0	106.6	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.24Å; T305-P307 WeakPolarHBondContact O-CD 3.1Å; T305-P307 VanDerWaalsContact O-N 3.15Å; P307-V309 PolarHBondContact O-N 3.1Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 2.91Å; P307-I311 PolarHBondContact O-N 3.07Å; P307-I311 VanDerWaalsContact O-N 3.11Å
308	I	60.6	Low	69.8	Low	119 Å²	119	95.2 Å²	95.2	61%	0.61	57%	0.567	S	S	*	*	H	α-helix	trans	-54.8	-34.7	176.8	-64.6	171.7	0	0	0	108.5	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.31Å; I306-I308 HydrophobicContact CG2-CG1 4.16Å; I306-I308 PolarHBondContact O-N 2.8Å; I308-G310 PolarHBondContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 3.35Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 VanDerWaalsContact O-CG2 3.22Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.33Å
309	V	59.9	Low	69.3	Low	123 Å²	123	95.8 Å²	95.8	75%	0.745	58%	0.582	S	S	*	*	H	α-helix	trans	-60.9	-41.1	172.5	178.1	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.1Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 WeakPolarHBondContact O-CB 3.27Å; V309-A313 PolarHBondContact O-N 2.75Å
310	G	66.7	Low	69.1	Low	44 Å²	44	91.5 Å²	91.5	45%	0.454	57%	0.57	S	S	.	*	H	α-helix	trans	-69.5	-38	179.4	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 2.91Å; I308-G310 PolarHBondContact O-N 3.12Å; G310-G314 PolarHBondContact O-N 2.84Å
311	I	73.6	Confident	69.3	Low	92 Å²	92	92.7 Å²	92.7	47%	0.472	57%	0.571	S	S	.	*	H	α-helix	trans	-70.6	-44.1	177	-62	173.1	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.89Å; P307-I311 PolarHBondContact O-N 3.07Å; P307-I311 VanDerWaalsContact O-N 3.11Å; I308-I311 PolarHBondContact O-N 3.35Å; I311-G314 PolarHBondContact O-N 2.82Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.46Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.27Å
312	V	74.4	Confident	70.2	Confident	92 Å²	92	91 Å²	91	56%	0.558	56%	0.563	S	S	*	*	H	α-helix	trans	-66	-42.2	178.2	173.3	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 VanDerWaalsContact O-CG2 3.22Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.33Å; V312-L315 PolarHBondContact O-N 2.87Å; V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 3.09Å
313	A	75.6	Confident	71.7	Confident	53 Å²	53	90.2 Å²	90.2	44%	0.438	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-43.3	174.4	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.27Å; V309-A313 PolarHBondContact O-N 2.75Å; A313-A316 PolarHBondContact O-N 3.18Å; A313-V317 VanDerWaalsContact O-CG2 3.3Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.99Å
314	G	82.2	Confident	73.6	Confident	33 Å²	33	87.5 Å²	87.5	34%	0.34	54%	0.544	S	S	.	.	H	α-helix	trans	-61.5	-43.7	176.7	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.84Å; I311-G314 PolarHBondContact O-N 2.82Å; G314-V317 PolarHBondContact O-N 2.86Å; G314-L318 PolarHBondContact O-N 3.27Å
315	L	85.4	Confident	75.4	Confident	110 Å²	110	85 Å²	85	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-67.3	-38.9	177.1	-73.3	171.3	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.46Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.27Å; V312-L315 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 3.41Å; L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 3.47Å
316	A	82.6	Confident	76.7	Confident	55 Å²	55	81.1 Å²	81.1	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-42.7	175.9	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 3.09Å; A313-A316 PolarHBondContact O-N 3.18Å; A316-A319 PolarHBondContact O-N 3.24Å; A316-V320 WeakPolarHBondContact O-CG2 3.29Å; A316-V320 PolarHBondContact O-N 2.63Å
317	V	85.1	Confident	77.8	Confident	86 Å²	86	82.6 Å²	82.6	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-44.1	176.3	172.7	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 VanDerWaalsContact O-CG2 3.3Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.99Å; G314-V317 PolarHBondContact O-N 2.86Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.95Å; V317-V320 PolarHBondContact O-N 3.17Å; V317-L321 HydrophobicContact CG1-CD1 3.97Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.41Å; V317-L321 PolarHBondContact O-N 3.48Å
318	L	85.3	Confident	78.7	Confident	115 Å²	115	82.5 Å²	82.5	60%	0.602	52%	0.521	S	S	*	.	H	α-helix	trans	-60.7	-41.7	176	-87.6	162.6	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.27Å; L315-L318 PolarHBondContact O-N 3.41Å; L318-L321 PolarHBondContact O-N 3.29Å; L318-A322 WeakPolarHBondContact O-CB 3.42Å; L318-A322 PolarHBondContact O-N 2.88Å
319	A	85.3	Confident	79.3	Confident	56 Å²	56	79.3 Å²	79.3	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-43.8	176.7	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 3.47Å; A316-A319 PolarHBondContact O-N 3.24Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.95Å; A319-A322 PolarHBondContact O-N 2.96Å; A319-V323 WeakPolarHBondContact O-CG2 3.45Å; A319-V323 PolarHBondContact O-N 3.37Å
320	V	84.9	Confident	79.9	Confident	85 Å²	85	77.1 Å²	77.1	52%	0.515	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-43.7	176.6	171.9	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.29Å; A316-V320 PolarHBondContact O-N 2.63Å; V317-V320 PolarHBondContact O-N 3.17Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.41Å; V320-V323 PolarHBondContact O-N 2.93Å; V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 WeakPolarHBondContact O-CG 3.18Å; V320-L324 PolarHBondContact O-N 3.13Å
321	L	86	Confident	80.2	Confident	106 Å²	106	79.1 Å²	79.1	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-64.3	-38.5	177.1	-71.2	173.7	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.97Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.41Å; V317-L321 PolarHBondContact O-N 3.48Å; L318-L321 PolarHBondContact O-N 3.29Å; L321-L324 PolarHBondContact O-N 3.18Å; L321-G325 PolarHBondContact O-N 3.18Å
322	A	83.9	Confident	80.1	Confident	65 Å²	65	81 Å²	81	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-42.1	175.7	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.42Å; L318-A322 PolarHBondContact O-N 2.88Å; A319-A322 PolarHBondContact O-N 2.96Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.41Å; A322-G325 PolarHBondContact O-N 3Å; A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 3.31Å
323	V	83	Confident	79.6	Confident	94 Å²	94	80.7 Å²	80.7	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-64.7	-44.2	176.1	173.4	0	0	0	0	111	A319 V320 A326 M327	A319-V323 WeakPolarHBondContact O-CG2 3.45Å; A319-V323 PolarHBondContact O-N 3.37Å; V320-V323 PolarHBondContact O-N 2.93Å; V323-A326 PolarHBondContact O-N 3.27Å; V323-M327 HydrophobicContact CG1-CG 4.45Å; V323-M327 WeakPolarHBondContact O-CB 3.44Å; V323-M327 WeakPolarHBondContact O-CG 3.17Å; V323-M327 PolarHBondContact O-N 3.07Å
324	L	82.1	Confident	78.9	Confident	103 Å²	103	87.1 Å²	87.1	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-43	175.7	-73.5	169	0	0	0	111.6	V320 L321 A326 M327 V328	V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 WeakPolarHBondContact O-CG 3.18Å; V320-L324 PolarHBondContact O-N 3.13Å; L321-L324 PolarHBondContact O-N 3.18Å; L324-A326 PolarHBondContact O-N 3.04Å; L324-M327 PolarHBondContact O-N 3.42Å; L324-V328 WeakPolarHBondContact O-CG2 3.19Å; L324-V328 PolarHBondContact O-N 3.3Å
325	G	82.2	Confident	77.7	Confident	42 Å²	42	95.5 Å²	95.5	43%	0.433	55%	0.545	S	S	.	.	H	α-helix	trans	-59.9	-43.9	174.9	0	0	0	0	0	112.6	L321 A322 V328 A329	L321-G325 PolarHBondContact O-N 3.18Å; A322-G325 PolarHBondContact O-N 3Å; G325-V328 PolarHBondContact O-N 3.33Å; G325-A329 WeakPolarHBondContact O-CB 3.31Å; G325-A329 PolarHBondContact O-N 2.9Å
326	A	79.6	Confident	76	Confident	53 Å²	53	99 Å²	99	44%	0.438	56%	0.556	S	S	.	*	H	α-helix	trans	-63.9	-42.1	175.9	0	0	0	0	0	112.1	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 3.31Å; V323-A326 PolarHBondContact O-N 3.27Å; L324-A326 PolarHBondContact O-N 3.04Å; A326-A329 PolarHBondContact O-N 3.23Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.49Å; A326-V330 PolarHBondContact O-N 3.35Å
327	M	76.6	Confident	74.5	Confident	122 Å²	122	100.8 Å²	100.8	60%	0.601	57%	0.565	S	S	*	*	H	α-helix	trans	-62.9	-43.3	176.7	-70.7	-77.3	-76.6	0	0	111.7	V323 L324 V330 V331	V323-M327 HydrophobicContact CG1-CG 4.45Å; V323-M327 WeakPolarHBondContact O-CB 3.44Å; V323-M327 WeakPolarHBondContact O-CG 3.17Å; V323-M327 PolarHBondContact O-N 3.07Å; L324-M327 PolarHBondContact O-N 3.42Å; M327-V330 PolarHBondContact O-N 3.05Å; M327-V331 WeakPolarHBondContact O-CB 3.15Å; M327-V331 VanDerWaalsContact O-CG2 3.28Å; M327-V331 WeakPolarHBondContact O-CG2 3.49Å; M327-V331 PolarHBondContact O-N 2.87Å
328	V	76.8	Confident	72.8	Confident	85 Å²	85	101.5 Å²	101.5	52%	0.515	57%	0.574	S	S	.	*	H	α-helix	trans	-63.3	-43.6	175.2	173	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.19Å; L324-V328 PolarHBondContact O-N 3.3Å; G325-V328 PolarHBondContact O-N 3.33Å; V328-V330 PolarHBondContact O-N 3.49Å; V328-V331 PolarHBondContact O-N 3Å; V328-M332 HydrophobicContact CG1-CG 4.39Å; V328-M332 HydrophobicContact CG1-SD 4.14Å; V328-M332 WeakPolarHBondContact O-CB 3.14Å; V328-M332 WeakPolarHBondContact O-CG 3.14Å; V328-M332 PolarHBondContact O-N 2.72Å
329	A	73.3	Confident	70.8	Confident	51 Å²	51	99.3 Å²	99.3	42%	0.421	58%	0.579	S	S	.	*	H	α-helix	trans	-61.8	-41.4	176.8	0	0	0	0	0	112.4	G325 A326 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.31Å; G325-A329 PolarHBondContact O-N 2.9Å; A326-A329 PolarHBondContact O-N 3.23Å; A329-M332 PolarHBondContact O-N 2.73Å; A329-C333 WeakPolarHBondContact O-CB 3.35Å; A329-C333 PolarHBondContact O-N 3.36Å; A329-C333 PolarHBondContact O-SG 3.12Å
330	V	74.3	Confident	68.5	Low	78 Å²	78	100.5 Å²	100.5	47%	0.473	60%	0.597	S	S	.	*	H	α-helix	trans	-65.6	-42.8	175.5	169.6	0	0	0	0	111.4	A326 M327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.49Å; A326-V330 PolarHBondContact O-N 3.35Å; M327-V330 PolarHBondContact O-N 3.05Å; V328-V330 PolarHBondContact O-N 3.49Å; V330-C333 PolarHBondContact O-N 3.44Å; V330-R334 WeakPolarHBondContact O-CB 3.38Å; V330-R334 WeakPolarHBondContact O-CG 3.21Å; V330-R334 PolarHBondContact O-N 3.31Å
331	V	73	Confident	66.1	Low	86 Å²	86	106.8 Å²	106.8	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-66.1	-40.2	177.5	170.7	0	0	0	0	111.2	M327 V328 R334 R335	M327-V331 WeakPolarHBondContact O-CB 3.15Å; M327-V331 VanDerWaalsContact O-CG2 3.28Å; M327-V331 WeakPolarHBondContact O-CG2 3.49Å; M327-V331 PolarHBondContact O-N 2.87Å; V328-V331 PolarHBondContact O-N 3Å; V331-R334 PolarHBondContact O-N 2.9Å; V331-R335 PolarHBondContact O-N 2.63Å
332	M	71.3	Confident	63.6	Low	130 Å²	130	105.6 Å²	105.6	64%	0.64	63%	0.631	S	S	*	*	H	α-helix	trans	-65.8	-40.3	174.1	-73.5	-173.9	69.9	0	0	112.1	V328 A329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.39Å; V328-M332 HydrophobicContact CG1-SD 4.14Å; V328-M332 WeakPolarHBondContact O-CB 3.14Å; V328-M332 WeakPolarHBondContact O-CG 3.14Å; V328-M332 PolarHBondContact O-N 2.72Å; A329-M332 PolarHBondContact O-N 2.73Å; M332-R335 PolarHBondContact O-N 3.49Å; M332-K336 WeakPolarHBondContact O-CB 3.32Å; M332-K336 PolarHBondContact O-N 3.3Å
333	C	62.5	Low	61.1	Low	86 Å²	86	106.3 Å²	106.3	58%	0.581	65%	0.645	S	S	*	*	H	α-helix	trans	-63	-41.5	173.3	-73.9	0	0	0	0	111.6	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.35Å; A329-C333 PolarHBondContact O-N 3.36Å; A329-C333 PolarHBondContact O-SG 3.12Å; V330-C333 PolarHBondContact O-N 3.44Å; C333-K336 PolarHBondContact O-N 2.6Å; C333-S337 PolarHBondContact O-N 2.59Å; C333-S337 PolarHBondContact O-OG 3.45Å
334	R	61.2	Low	58.8	Low	189 Å²	189	107 Å²	107	71%	0.713	65%	0.654	S	S	*	*	H	α-helix	trans	-67.7	-34.2	176.6	-78.4	-173.7	161.8	175.8	-3.2	113.4	V330 V331 K336 S337 S338	V330-R334 WeakPolarHBondContact O-CB 3.38Å; V330-R334 WeakPolarHBondContact O-CG 3.21Å; V330-R334 PolarHBondContact O-N 3.31Å; V331-R334 PolarHBondContact O-N 2.9Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 WeakPolarHBondContact CA-OG 3.29Å; R334-S337 PolarHBondContact O-OG 3.07Å; R334-S338 PolarHBondContact O-N 3.39Å
335	R	56.9	Low	56.2	Low	208 Å²	208	107.7 Å²	107.7	79%	0.785	67%	0.666	S	S	*	*	H	α-helix	trans	-69.6	-30	171.5	-108	-176.5	170.7	176.5	-2.1	112.7	V331 M332 S338	V331-R335 PolarHBondContact O-N 2.63Å; M332-R335 PolarHBondContact O-N 3.49Å; R335-S338 PolarHBondContact O-OG 3.28Å
336	K	50.4	Low	53.9	Low	184 Å²	184	110.3 Å²	110.3	80%	0.8	68%	0.677	S	S	*	*	H	α-helix	trans	-81.7	-23.7	177.8	-164	166.7	179.2	177.7	0	113	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.32Å; M332-K336 PolarHBondContact O-N 3.3Å; C333-K336 PolarHBondContact O-N 2.6Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	50.9	Low	51.8	Low	93 Å²	93	116.3 Å²	116.3	65%	0.65	70%	0.696	S	S	*	*	S	Bend	trans	-90.3	-3.5	176.9	62.1	0	0	0	0	115	C333 R334 G339	C333-S337 PolarHBondContact O-N 2.59Å; C333-S337 PolarHBondContact O-OG 3.45Å; R334-S337 WeakPolarHBondContact CA-OG 3.29Å; R334-S337 PolarHBondContact O-OG 3.07Å; S337-G339 VanDerWaalsContact C-N 3.32Å
338	S	48.6	Very low	49.6	Very low	101 Å²	101	114.9 Å²	114.9	71%	0.706	70%	0.704	S	S	*	*	S	Bend	trans	-90.6	15.3	176.6	69.7	0	0	0	0	114.2	R334 R335	R334-S338 PolarHBondContact O-N 3.39Å; R335-S338 PolarHBondContact O-OG 3.28Å
339	G	44.3	Very low	47.5	Very low	68 Å²	68	115 Å²	115	70%	0.701	71%	0.714	S	S	*	*	S	Bend	trans	-145.1	91.4	173.7	0	0	0	0	0	111.3	S337	S337-G339 VanDerWaalsContact C-N 3.32Å
340	G	35.8	Very low	45.5	Very low	82 Å²	82	117.5 Å²	117.5	85%	0.845	73%	0.729	S	S	*	*			trans	157.5	105.3	169.6	0	0	0	0	0	114
341	K	35.4	Very low	43.6	Very low	216 Å²	216	118.6 Å²	118.6	94%	0.939	74%	0.74	S	S	*	*			trans	-103	141.9	-179.7	-173.2	164.1	179	172.9	0	109.5
342	G	33.5	Very low	41.6	Very low	82 Å²	82	122.1 Å²	122.1	85%	0.845	76%	0.755	S	S	*	*			trans	104.7	134.7	168.2	0	0	0	0	0	113.3
343	G	31.1	Very low	40	Very low	80 Å²	80	121.3 Å²	121.3	83%	0.825	76%	0.763	S	S	*	*			cis	-174	163.7	6.7	0	0	0	0	0	110.3
344	S	34.3	Very low	38.6	Very low	109 Å²	109	121.3 Å²	121.3	76%	0.762	77%	0.769	S	S	*	*			trans	-38.1	144.3	178.9	-172.3	0	0	0	0	118.4
345	C	29.3	Very low	37.3	Very low	116 Å²	116	121.9 Å²	121.9	78%	0.784	78%	0.78	S	S	*	*				-177.7	134.2	95.3	-116.1	0	0	0	0	114
346	S	33	Very low	36	Very low	97 Å²	97	115.5 Å²	115.5	68%	0.678	78%	0.779	S	S	*	*			trans	-57.7	171.1	159.4	43.4	0	0	0	0	111.9
347	Q	34.7	Very low	35.3	Very low	179 Å²	179	111.8 Å²	111.8	84%	0.836	78%	0.776	S	S	*	*			cis	-174.3	145.5	33	-152.9	167.4	-17.8	0	0	107
348	A	31	Very low	34.5	Very low	93 Å²	93	114.8 Å²	114.8	77%	0.769	79%	0.785	S	S	*	*				131.6	149.4	107.1	0	0	0	0	0	107.7
349	A	32.1	Very low	33.7	Very low	88 Å²	88	118.4 Å²	118.4	73%	0.727	79%	0.791	S	S	*	*			cis	-160.2	158.2	18.4	0	0	0	0	0	112.2
350	S	31.7	Very low	33.1	Very low	103 Å²	103	119.8 Å²	119.8	72%	0.72	79%	0.79	S	S	*	*			trans	55.6	105.7	144.4	65.7	0	0	0	0	119.8
351	S	34.5	Very low	33	Very low	101 Å²	101	122.8 Å²	122.8	71%	0.706	79%	0.785	S	S	*	*				72.7	108	69.2	74.7	0	0	0	0	114.9
352	N	30.6	Very low	32.9	Very low	159 Å²	159	119.8 Å²	119.8	85%	0.85	78%	0.778	S	S	*	*				-175	147.3	100	-97.4	-11.2	0	0	0	112.7
353	S	38.6	Very low	32.9	Very low	114 Å²	114	120 Å²	120	80%	0.797	77%	0.772	S	S	*	*			trans	-87.7	144.3	-174.7	42.3	0	0	0	0	114
354	A	33.2	Very low	32.9	Very low	86 Å²	86	122.1 Å²	122.1	71%	0.711	77%	0.773	S	S	*	*			trans	-167.8	112.9	141.8	0	0	0	0	0	106.8
355	Q	34.1	Very low	33	Very low	200 Å²	200	127 Å²	127	94%	0.935	78%	0.78	S	S	*	*				80.4	123.6	88.6	-160.2	174.4	25.7	0	0	111.7
356	G	30	Very low	33.4	Very low	75 Å²	75	129.7 Å²	129.7	77%	0.773	81%	0.811	S	S	*	*			trans	139.1	110.5	161.5	0	0	0	0	0	114.7
357	S	34.8	Very low	33.4	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	82%	0.817	S	S	*	*			trans	-65.5	161.8	173.3	-26.8	0	0	0	0	113.5
358	D	34.4	Very low	33.3	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	82%	0.816	S	S	*	*			trans	76.5	140.1	144.8	-70	-30.3	0	0	0	122.3
359	E	31.5	Very low	33.5	Very low	177 Å²	177	130.8 Å²	130.8	83%	0.827	82%	0.819	S	S	*	*			trans	78.7	115.7	152.6	-81.5	-165.7	136.2	0	0	121.7
360	S	32	Very low	33.6	Very low	98 Å²	98	133.3 Å²	133.3	69%	0.685	82%	0.824	S	S	*	*				99.5	123.2	124.5	79.1	0	0	0	0	119.6
361	L	32.4	Very low	33.7	Very low	144 Å²	144	135.2 Å²	135.2	75%	0.754	83%	0.831	S	S	*	*			trans	69.8	113.6	134.2	-64.9	166.2	0	0	0	120.8
362	I	34.5	Very low	33.6	Very low	153 Å²	153	137.5 Å²	137.5	79%	0.785	84%	0.839	S	S	*	*				48.9	113.5	122.6	-55.7	177.2	0	0	0	117.8
363	A	33.8	Very low	33.8	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	84%	0.838	S	S	*	*				157.1	121.5	112.3	0	0	0	0	0	114.3
364	C	30.9	Very low	33.5	Very low	125 Å²	125	137.6 Å²	137.6	85%	0.845	84%	0.841	S	S	*	*			trans	32	145.8	137.2	-69.5	0	0	0	0	126.2
365	K	35.8	Very low	33.5	Very low	212 Å²	212	141.9 Å²	141.9	92%	0.922	85%	0.852	S	S	*	*			trans	80.8	133.4	152.9	-80.8	175.1	172.2	175.7	0	116.2
366	A	37.4	Very low	33.4	Very low	172 Å²	172	136.6 Å²	136.6	100%	1.421	85%	0.845	S	S	*	*			cis	-133.7	0	18.9	0	0	0	0	0	112.4

Retrieved 366 of 366 residues in 106 ms (Link to these results)

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