A0A096NJF9_PAPAN Loading...

HORMA domain containing 2

AlphaFold DB , UniProt , Accession A0A096NJF9, Species PAPAN (Papio anubis, Olive baboon), Gene HORMAD2, Length 307 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	37.7	Very low	34.4	Very low	250 Å²	250	144.4 Å²	144.4	100%	1.232	84%	0.839	S	S	*	*				0	114.1	0	-73.8	-170.4	-81.3	0	0	107.4
2	A	32.2	Very low	34.5	Very low	108 Å²	108	144.4 Å²	144.4	89%	0.893	83%	0.831	S	S	*	*			trans	-111.4	127.3	-177.2	0	0	0	0	0	108.6
3	T	36.3	Very low	34.6	Very low	138 Å²	138	146.1 Å²	146.1	85%	0.847	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-103.2	118.2	177.9	46.8	0	0	0	0	109.6
4	A	34.3	Very low	34.5	Very low	100 Å²	100	149.9 Å²	149.9	83%	0.826	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-75.2	130.6	173.7	0	0	0	0	0	110.5
5	Q	37.4	Very low	34.5	Very low	192 Å²	192	145.9 Å²	145.9	90%	0.897	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-88	122	170.1	-73.5	-175.8	-52.3	0	0	109.7	S7	Q5-S7 PolarHBondContact O-N 3.3Å
6	L	34.9	Very low	34.8	Very low	169 Å²	169	143.4 Å²	143.4	89%	0.885	82%	0.818	S	S	*	*			trans	-71.4	110.7	169.3	-92.5	131.9	0	0	0	109.6	H8	L6-H8 PolarHBondContact O-N 3.26Å
7	S	33.5	Very low	35.7	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	82%	0.819	S	S	*	*			trans	-78.9	110.5	166.2	46.4	0	0	0	0	109.3	Q5 S9	Q5-S7 PolarHBondContact O-N 3.3Å; S7-S9 PolarHBondContact O-N 3.1Å
8	H	32.3	Very low	37.2	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.796	81%	0.808	S	S	*	*			trans	-75.2	107.6	169.5	-121.6	53.8	0	0	0	108.6	L6 I10	L6-H8 PolarHBondContact O-N 3.26Å; H8-I10 PolarHBondContact O-N 3.17Å; H8-I10 VanDerWaalsContact O-N 3.16Å
9	S	32.7	Very low	39.3	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	79%	0.794	S	S	*	*			trans	-72.9	101.6	171.3	-44	0	0	0	0	108.6	S7 T11	S7-S9 PolarHBondContact O-N 3.1Å; S9-T11 PolarHBondContact O-N 3.3Å; S9-T11 VanDerWaalsContact O-N 3.12Å
10	I	34.8	Very low	41.6	Very low	144 Å²	144	136.1 Å²	136.1	74%	0.738	76%	0.759	S	S	*	*			trans	-73.1	101.8	167.2	-63.1	174.4	0	0	0	106.5	H8 I12	H8-I10 PolarHBondContact O-N 3.17Å; H8-I10 VanDerWaalsContact O-N 3.16Å; I10-I12 VanDerWaalsContact C-N 3.31Å; I10-I12 HydrophobicContact CG2-CG1 4.15Å; I10-I12 PolarHBondContact O-N 2.73Å
11	T	32.5	Very low	43.9	Very low	106 Å²	106	129.9 Å²	129.9	65%	0.65	72%	0.724	S	S	*	*			trans	-66.4	92.8	169	-54.8	0	0	0	0	108.1	S9 H13	S9-T11 PolarHBondContact O-N 3.3Å; S9-T11 VanDerWaalsContact O-N 3.12Å; T11-H13 PolarHBondContact O-N 2.68Å
12	I	35	Very low	46.2	Very low	145 Å²	145	118.9 Å²	118.9	74%	0.744	67%	0.671	S	S	*	*			trans	-68.5	101.5	168.2	-61.2	176	0	0	0	106.5	I10 K14	I10-I12 VanDerWaalsContact C-N 3.31Å; I10-I12 HydrophobicContact CG2-CG1 4.15Å; I10-I12 PolarHBondContact O-N 2.73Å; I12-K14 PolarHBondContact O-N 3.2Å
13	H	35.9	Very low	48.6	Very low	166 Å²	166	118.8 Å²	118.8	77%	0.769	66%	0.664	S	S	*	*			trans	-60	103.2	165.3	-74.2	-90.9	0	0	0	108	T11 A15	T11-H13 PolarHBondContact O-N 2.68Å; H13-A15 PolarHBondContact O-N 3.33Å
14	K	33.6	Very low	50.9	Low	200 Å²	200	118 Å²	118	87%	0.87	65%	0.651	S	S	*	*			trans	-58.7	97.7	172	-174.9	179.2	-178.2	179.7	0	108.1	I12 S16	I12-K14 PolarHBondContact O-N 3.2Å; K14-S16 PolarHBondContact O-N 3.36Å; K14-S16 VanDerWaalsContact O-N 3.14Å
15	A	35.1	Very low	53.5	Low	89 Å²	89	114.2 Å²	114.2	74%	0.736	62%	0.616	S	S	*	*			trans	-54.8	119.7	169.3	0	0	0	0	0	107.8	H13 K17	H13-A15 PolarHBondContact O-N 3.33Å; A15-K17 PolarHBondContact O-N 3.45Å
16	S	38	Very low	55.9	Low	106 Å²	106	109.7 Å²	109.7	74%	0.741	60%	0.601	S	S	*	*			trans	-59	129	173.7	61.2	0	0	0	0	107.7	K14 E18	K14-S16 PolarHBondContact O-N 3.36Å; K14-S16 VanDerWaalsContact O-N 3.14Å; S16-E18 PolarHBondContact O-N 3.44Å
17	K	51.4	Low	58.5	Low	192 Å²	192	104.8 Å²	104.8	84%	0.835	58%	0.576	S	S	*	*			trans	-73.4	82.9	-179.5	-148.9	178.5	-172.5	-174.9	0	106.9	A15 T19	A15-K17 PolarHBondContact O-N 3.45Å; K17-T19 PolarHBondContact O-N 2.64Å
18	E	61.9	Low	61.2	Low	133 Å²	133	103 Å²	103	62%	0.621	56%	0.557	S	S	*	*			trans	-63.2	125.4	-177.2	-152.8	-169.3	156.5	0	0	109.4	S16 K37	S16-E18 PolarHBondContact O-N 3.44Å; E18-K37 IonicContact OE1-NZ 2.54Å; E18-K37 PolarHBondContact OE1-NZ 3.27Å
19	T	77.5	Confident	64.1	Low	88 Å²	88	100.9 Å²	100.9	54%	0.54	55%	0.547	S	S	.	.			trans	-72.3	148.8	179.8	53.8	0	0	0	0	110.7	K17 F21	K17-T19 PolarHBondContact O-N 2.64Å; T19-F21 WeakPolarHBondContact CB-O 3.25Å; T19-F21 PolarHBondContact O-N 2.86Å; T19-F21 PolarHBondContact OG1-O 3.06Å
20	V	85.6	Confident	67	Low	15 Å²	15	98.1 Å²	98.1	9%	0.091	52%	0.522	C	S	.	.	S	Bend	trans	-60.4	-36.8	179.3	177.3	0	0	0	0	111.3	K37 T41 R61 H62 L63	V20-K37 WeakPolarHBondContact O-CD 3.5Å; V20-T41 HydrophobicContact CG1-CG2 4.43Å; V20-R61 HydrophobicContact CG2-CB 3.85Å; V20-H62 WeakPolarHBondContact CG2-O 3.38Å; V20-L63 HydrophobicContact CB-CD1 4.27Å; V20-L63 HydrophobicContact CG2-CB 4.37Å
21	F	89.1	Confident	69.8	Low	6 Å²	6	91.3 Å²	91.3	3%	0.026	49%	0.487	C	S	.	.	S	Bend	trans	-116.8	151.5	177	-60.3	-45.7	0	0	0	111.4	T19 M34 K37 L38 L63 I161	T19-F21 WeakPolarHBondContact CB-O 3.25Å; T19-F21 PolarHBondContact O-N 2.86Å; T19-F21 PolarHBondContact OG1-O 3.06Å; F21-M34 HydrophobicContact CB-CE 3.96Å; F21-M34 HydrophobicContact CB-SD 3.6Å; F21-M34 VanDerWaalsContact CB-SD 3.6Å; F21-M34 HydrophobicContact CD1-CE 3.74Å; F21-M34 HydrophobicContact CD1-SD 3.62Å; F21-M34 HydrophobicContact CD2-CE 4.03Å; F21-M34 HydrophobicContact CE1-CE 4.29Å; F21-M34 HydrophobicContact CG-CE 3.62Å; F21-M34 HydrophobicContact CG-SD 3.72Å; F21-K37 HydrophobicContact CD1-CB 4.15Å; F21-K37 HydrophobicContact CE1-CB 4.37Å; F21-L38 HydrophobicContact CE1-CB 4.06Å; F21-L38 HydrophobicContact CE1-CD1 3.96Å; F21-L38 HydrophobicContact CE2-CD1 4.43Å; F21-L38 HydrophobicContact CZ-CD1 3.59Å; F21-L63 HydrophobicContact CD2-CD1 3.69Å; F21-L63 HydrophobicContact CD2-CD2 4.47Å; F21-L63 HydrophobicContact CE2-CD1 3.72Å; F21-L63 HydrophobicContact CE2-CD2 3.65Å; F21-L63 HydrophobicContact CE2-CG 4.37Å; F21-L63 HydrophobicContact CZ-CD2 4.32Å; F21-I161 HydrophobicContact CZ-CG1 4.33Å
22	P	86.3	Confident	72.8	Confident	19 Å²	19	87.2 Å²	87.2	12%	0.123	46%	0.461	C	S	.	.			trans	-54.9	146.6	169.9	-22.1	34.1	0	0	0	111.6	K33 M34	P22-K33 HydrophobicContact CG-CD 4.28Å; P22-K33 HydrophobicContact CG-CG 4.22Å; P22-M34 VanDerWaalsContact CD-SD 3.58Å; P22-M34 HydrophobicContact CG-CB 4.26Å
23	S	81.8	Confident	75.7	Confident	106 Å²	106	84 Å²	84	74%	0.741	44%	0.442	S	S	*	.	S	Bend	trans	-79	-25.7	178.7	52.8	0	0	0	0	113.3
24	Q	86.1	Confident	78.6	Confident	122 Å²	122	76.1 Å²	76.1	57%	0.57	41%	0.406	S	S	*	.			trans	-144.3	141.8	-179.9	-66.8	-176.5	-4.7	0	0	109.9	T26	Q24-T26 HydrophobicContact CB-CG2 4.45Å
25	I	88.7	Confident	81.6	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.097	36%	0.364	C	S	.	.			trans	-123.9	94.6	178.3	-59.1	166	0	0	0	106.6	E30 M34 N150 I153 T225	I25-E30 HydrophobicContact CG2-CB 4.49Å; I25-M34 HydrophobicContact CD1-CB 3.8Å; I25-M34 HydrophobicContact CD1-CG 3.68Å; I25-M34 HydrophobicContact CD1-SD 4.49Å; I25-M34 HydrophobicContact CG1-CB 4.37Å; I25-N150 WeakPolarHBondContact CB-OD1 3.17Å; I25-N150 PolarHBondContact N-OD1 2.54Å; I25-I153 HydrophobicContact CD1-CB 4.38Å; I25-I153 HydrophobicContact CD1-CD1 3.94Å; I25-I153 HydrophobicContact CD1-CG2 3.7Å; I25-T225 HydrophobicContact CD1-CG2 4.01Å
26	T	87.6	Confident	84.6	Confident	97 Å²	97	63.8 Å²	63.8	60%	0.595	34%	0.335	S	S	*	.			trans	-108.6	-11.9	-176.7	55.5	0	0	0	0	112.8	Q24	Q24-T26 HydrophobicContact CB-CG2 4.45Å
27	N	89.4	Confident	87.4	Confident	66 Å²	66	61.2 Å²	61.2	35%	0.353	31%	0.311	S	S	.	.	S	Bend	trans	-149.3	171.5	-176.2	61.4	62.6	0	0	0	110.6	H29 E30 S31	N27-H29 VanDerWaalsContact C-N 3.3Å; N27-H29 PolarHBondContact O-N 2.97Å; N27-H29 WeakPolarHBondContact OD1-CA 3.48Å; N27-H29 VanDerWaalsContact OD1-CB 3.31Å; N27-H29 WeakPolarHBondContact OD1-CB 3.26Å; N27-H29 PolarHBondContact OD1-N 2.92Å; N27-E30 PolarHBondContact O-N 3.12Å; N27-E30 PolarHBondContact OD1-N 2.99Å; N27-S31 PolarHBondContact O-N 3.46Å; N27-S31 VanDerWaalsContact O-N 3.08Å
28	E	90.6	Very high	89.6	Confident	69 Å²	69	52.1 Å²	52.1	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-36.9	-179.2	-173.5	179.9	170.1	0	0	113.2	S31 L32 R97 F227	E28-S31 WeakPolarHBondContact O-CB 3.04Å; E28-S31 PolarHBondContact O-N 3.35Å; E28-L32 WeakPolarHBondContact O-CB 3.38Å; E28-L32 PolarHBondContact O-N 3.23Å; E28-R97 IonicContact OE1-CZ 3.21Å; E28-R97 IonicContact OE1-NE 3.06Å; E28-R97 PolarHBondContact OE1-NE 3.11Å; E28-R97 IonicContact OE1-NH2 2.64Å; E28-R97 PolarHBondContact OE1-NH2 3.28Å; E28-R97 IonicContact OE2-NH2 2.86Å; E28-R97 PolarHBondContact OE2-NH2 3.23Å; E28-F227 HydrophobicContact CB-CB 4.46Å; E28-F227 HydrophobicContact CB-CD1 3.77Å; E28-F227 HydrophobicContact CB-CE1 4.23Å; E28-F227 HydrophobicContact CB-CG 4.14Å; E28-F227 HydrophobicContact CG-CB 4.26Å; E28-F227 HydrophobicContact CG-CD1 4.27Å; E28-F227 HydrophobicContact CG-CG 4.46Å
29	H	92.8	Very high	91.3	Very high	127 Å²	127	45.8 Å²	45.8	59%	0.588	24%	0.241	S	C	*	.	H	α-helix	trans	-64.6	-46	-178.8	-178.2	79.3	0	0	0	111.9	N27 S31 L32 K33	N27-H29 VanDerWaalsContact C-N 3.3Å; N27-H29 PolarHBondContact O-N 2.97Å; N27-H29 WeakPolarHBondContact OD1-CA 3.48Å; N27-H29 VanDerWaalsContact OD1-CB 3.31Å; N27-H29 WeakPolarHBondContact OD1-CB 3.26Å; N27-H29 PolarHBondContact OD1-N 2.92Å; H29-S31 VanDerWaalsContact C-N 3.31Å; H29-S31 PolarHBondContact O-N 3.04Å; H29-L32 PolarHBondContact O-N 3.18Å; H29-K33 WeakPolarHBondContact O-CB 3.45Å; H29-K33 PolarHBondContact O-N 3.23Å
30	E	93.4	Very high	92.3	Very high	46 Å²	46	42.5 Å²	42.5	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-34.5	175.5	-70	-56.5	143.8	0	0	111.9	I25 N27 K33 M34	I25-E30 HydrophobicContact CG2-CB 4.49Å; N27-E30 PolarHBondContact O-N 3.12Å; N27-E30 PolarHBondContact OD1-N 2.99Å; E30-K33 PolarHBondContact O-N 3.07Å; E30-M34 WeakPolarHBondContact O-CB 3.09Å; E30-M34 PolarHBondContact O-N 3.16Å
31	S	94.2	Very high	92.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-45.9	173	162.5	0	0	0	0	111.9	N27 E28 H29 K33 M34 V35 T225 F227 H228	N27-S31 PolarHBondContact O-N 3.46Å; N27-S31 VanDerWaalsContact O-N 3.08Å; E28-S31 WeakPolarHBondContact O-CB 3.04Å; E28-S31 PolarHBondContact O-N 3.35Å; H29-S31 VanDerWaalsContact C-N 3.31Å; H29-S31 PolarHBondContact O-N 3.04Å; S31-K33 PolarHBondContact O-N 3.49Å; S31-M34 WeakPolarHBondContact O-CB 3.42Å; S31-M34 PolarHBondContact O-N 3.3Å; S31-V35 PolarHBondContact O-N 3.23Å; S31-T225 WeakPolarHBondContact CB-OG1 3.47Å; S31-T225 WeakPolarHBondContact OG-CB 3.38Å; S31-T225 PolarHBondContact OG-OG1 3.26Å; S31-F227 WeakPolarHBondContact OG-CB 3.41Å; S31-H228 PolarHBondContact OG-N 3.36Å; S31-H228 PolarHBondContact OG-ND1 3.47Å
32	L	95.6	Very high	93.3	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-43.6	176.2	178.7	61.6	0	0	0	111.1	E28 H29 M34 V35 K36 L94 E95	E28-L32 WeakPolarHBondContact O-CB 3.38Å; E28-L32 PolarHBondContact O-N 3.23Å; H29-L32 PolarHBondContact O-N 3.18Å; L32-M34 VanDerWaalsContact C-N 3.3Å; L32-M34 PolarHBondContact O-N 2.81Å; L32-V35 PolarHBondContact O-N 2.76Å; L32-K36 HydrophobicContact CD1-CD 4.38Å; L32-K36 HydrophobicContact CD1-CG 4.27Å; L32-K36 HydrophobicContact CG-CD 4.22Å; L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 VanDerWaalsContact O-CG 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.21Å; L32-K36 PolarHBondContact O-N 3.3Å; L32-L94 HydrophobicContact CD1-CB 3.93Å; L32-E95 HydrophobicContact CD2-CB 4.43Å; L32-E95 HydrophobicContact CD2-CG 3.77Å
33	K	96.1	Very high	93.9	Very high	76 Å²	76	41 Å²	41	33%	0.33	22%	0.215	S	C	.	.	H	α-helix	trans	-59.4	-42.6	174.9	-173.8	178.3	179.6	-177.6	0	111.2	P22 H29 E30 S31 K37	P22-K33 HydrophobicContact CG-CD 4.28Å; P22-K33 HydrophobicContact CG-CG 4.22Å; H29-K33 WeakPolarHBondContact O-CB 3.45Å; H29-K33 PolarHBondContact O-N 3.23Å; E30-K33 PolarHBondContact O-N 3.07Å; S31-K33 PolarHBondContact O-N 3.49Å; K33-K37 WeakPolarHBondContact O-CB 3.06Å; K33-K37 WeakPolarHBondContact O-CG 3.23Å; K33-K37 PolarHBondContact O-N 3.3Å
34	M	95.6	Very high	94.6	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-53.3	175.1	178.6	59.2	-175	0	0	111.5	F21 P22 I25 E30 S31 L32 K36 K37 L38 I153 S157 T225	F21-M34 HydrophobicContact CB-CE 3.96Å; F21-M34 HydrophobicContact CB-SD 3.6Å; F21-M34 VanDerWaalsContact CB-SD 3.6Å; F21-M34 HydrophobicContact CD1-CE 3.74Å; F21-M34 HydrophobicContact CD1-SD 3.62Å; F21-M34 HydrophobicContact CD2-CE 4.03Å; F21-M34 HydrophobicContact CE1-CE 4.29Å; F21-M34 HydrophobicContact CG-CE 3.62Å; F21-M34 HydrophobicContact CG-SD 3.72Å; P22-M34 VanDerWaalsContact CD-SD 3.58Å; P22-M34 HydrophobicContact CG-CB 4.26Å; I25-M34 HydrophobicContact CD1-CB 3.8Å; I25-M34 HydrophobicContact CD1-CG 3.68Å; I25-M34 HydrophobicContact CD1-SD 4.49Å; I25-M34 HydrophobicContact CG1-CB 4.37Å; E30-M34 WeakPolarHBondContact O-CB 3.09Å; E30-M34 PolarHBondContact O-N 3.16Å; S31-M34 WeakPolarHBondContact O-CB 3.42Å; S31-M34 PolarHBondContact O-N 3.3Å; L32-M34 VanDerWaalsContact C-N 3.3Å; L32-M34 PolarHBondContact O-N 2.81Å; M34-K36 PolarHBondContact O-N 2.85Å; M34-K37 PolarHBondContact O-N 3.44Å; M34-L38 WeakPolarHBondContact O-CB 3.38Å; M34-L38 PolarHBondContact O-N 2.89Å; M34-I153 HydrophobicContact CE-CG2 4.29Å; M34-I153 HydrophobicContact CG-CG2 4.49Å; M34-S157 WeakPolarHBondContact CE-OG 3.39Å; M34-T225 HydrophobicContact CB-CG2 4.44Å; M34-T225 HydrophobicContact CG-CG2 4.14Å
35	V	96.9	Very high	95.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-41.1	-178.4	171.1	0	0	0	0	112	S31 L32 L38 F39 F124 T225 H228 M230	S31-V35 PolarHBondContact O-N 3.23Å; L32-V35 PolarHBondContact O-N 2.76Å; V35-L38 PolarHBondContact O-N 3.27Å; V35-F39 WeakPolarHBondContact O-CB 3.43Å; V35-F39 PolarHBondContact O-N 3.39Å; V35-F124 HydrophobicContact CG1-CD1 3.93Å; V35-F124 HydrophobicContact CG1-CE1 3.82Å; V35-T225 HydrophobicContact CG2-CG2 4.42Å; V35-H228 HydrophobicContact CB-CB 4.49Å; V35-H228 HydrophobicContact CG2-CB 3.64Å; V35-M230 HydrophobicContact CG1-CB 4.34Å; V35-M230 HydrophobicContact CG1-SD 4.48Å
36	K	98.1	Very high	95.4	Very high	29 Å²	29	29.8 Å²	29.8	13%	0.126	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-47.2	174.8	-75.7	179.4	175.1	177.4	0	112.5	L32 M34 L38 F39 A40 F91 L94 E95	L32-K36 HydrophobicContact CD1-CD 4.38Å; L32-K36 HydrophobicContact CD1-CG 4.27Å; L32-K36 HydrophobicContact CG-CD 4.22Å; L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 VanDerWaalsContact O-CG 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.21Å; L32-K36 PolarHBondContact O-N 3.3Å; M34-K36 PolarHBondContact O-N 2.85Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 2.89Å; K36-F39 PolarHBondContact O-N 2.94Å; K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 3.22Å; K36-F91 HydrophobicContact CB-CD1 3.88Å; K36-F91 HydrophobicContact CB-CE1 3.53Å; K36-F91 HydrophobicContact CB-CE2 4.49Å; K36-F91 HydrophobicContact CB-CG 4.48Å; K36-F91 HydrophobicContact CB-CZ 3.85Å; K36-F91 HydrophobicContact CD-CB 4.16Å; K36-F91 HydrophobicContact CD-CD1 4Å; K36-F91 HydrophobicContact CD-CD2 4.32Å; K36-F91 HydrophobicContact CD-CE1 4.41Å; K36-F91 HydrophobicContact CD-CG 3.92Å; K36-F91 WeakPolarHBondContact CE-O 3.47Å; K36-F91 HydrophobicContact CG-CD1 3.57Å; K36-F91 HydrophobicContact CG-CE1 3.78Å; K36-F91 HydrophobicContact CG-CG 4.04Å; K36-F91 HydrophobicContact CG-CZ 4.42Å; K36-F91 WeakPolarHBondContact O-CE1 3.38Å; K36-F91 WeakPolarHBondContact O-CZ 3.36Å; K36-L94 HydrophobicContact CG-CD1 4.05Å; K36-E95 VanDerWaalsContact NZ-CD 3.29Å; K36-E95 IonicContact NZ-OE1 2.63Å; K36-E95 PolarHBondContact NZ-OE1 2.81Å
37	K	97.1	Very high	95.9	Very high	52 Å²	52	25.2 Å²	25.2	23%	0.226	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-40.4	177.7	-71.8	-160.9	-175.4	-170.7	0	110.8	E18 V20 F21 K33 M34 T41	E18-K37 IonicContact OE1-NZ 2.54Å; E18-K37 PolarHBondContact OE1-NZ 3.27Å; V20-K37 WeakPolarHBondContact O-CD 3.5Å; F21-K37 HydrophobicContact CD1-CB 4.15Å; F21-K37 HydrophobicContact CE1-CB 4.37Å; K33-K37 WeakPolarHBondContact O-CB 3.06Å; K33-K37 WeakPolarHBondContact O-CG 3.23Å; K33-K37 PolarHBondContact O-N 3.3Å; M34-K37 PolarHBondContact O-N 3.44Å; K37-T41 VanDerWaalsContact O-CB 3.22Å; K37-T41 WeakPolarHBondContact O-CB 3.17Å; K37-T41 PolarHBondContact O-N 2.83Å; K37-T41 PolarHBondContact O-OG1 3.12Å
38	L	97.5	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-47.8	176.7	-173	60.5	0	0	0	111.7	F21 M34 V35 K36 T41 S42 L160 I161 V223 M230	F21-L38 HydrophobicContact CE1-CB 4.06Å; F21-L38 HydrophobicContact CE1-CD1 3.96Å; F21-L38 HydrophobicContact CE2-CD1 4.43Å; F21-L38 HydrophobicContact CZ-CD1 3.59Å; M34-L38 WeakPolarHBondContact O-CB 3.38Å; M34-L38 PolarHBondContact O-N 2.89Å; V35-L38 PolarHBondContact O-N 3.27Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 2.89Å; L38-T41 PolarHBondContact O-N 3.37Å; L38-S42 WeakPolarHBondContact O-CB 3.44Å; L38-S42 PolarHBondContact O-N 3.29Å; L38-S42 PolarHBondContact O-OG 3.48Å; L38-S42 VanDerWaalsContact O-OG 3.07Å; L38-L160 HydrophobicContact CD1-CD2 4.48Å; L38-L160 HydrophobicContact CD2-CD1 4.5Å; L38-I161 HydrophobicContact CD1-CD1 4.01Å; L38-I161 HydrophobicContact CD1-CG1 4.07Å; L38-V223 HydrophobicContact CD2-CB 3.84Å; L38-V223 HydrophobicContact CD2-CG1 4.12Å; L38-V223 HydrophobicContact CD2-CG2 3.66Å; L38-M230 HydrophobicContact CB-CE 4.2Å; L38-M230 HydrophobicContact CD2-CE 3.59Å; L38-M230 HydrophobicContact CG-CE 3.48Å; L38-M230 VanDerWaalsContact CG-CE 3.48Å
39	F	98.4	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-50.6	176.5	177.7	-116	0	0	0	112.6	V35 K36 T41 S42 I43 C90 F91 A102 F122 F124 M230	V35-F39 WeakPolarHBondContact O-CB 3.43Å; V35-F39 PolarHBondContact O-N 3.39Å; K36-F39 PolarHBondContact O-N 2.94Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.5Å; F39-S42 PolarHBondContact O-N 3.13Å; F39-I43 HydrophobicContact CD1-CD1 4.07Å; F39-I43 HydrophobicContact CD2-CD1 4.09Å; F39-I43 HydrophobicContact CE1-CD1 3.5Å; F39-I43 HydrophobicContact CE2-CD1 3.54Å; F39-I43 HydrophobicContact CE2-CG1 4.25Å; F39-I43 HydrophobicContact CG-CD1 4.35Å; F39-I43 HydrophobicContact CZ-CD1 3.23Å; F39-I43 HydrophobicContact CZ-CG1 4.38Å; F39-I43 PolarHBondContact O-N 2.97Å; F39-C90 HydrophobicContact CD1-CB 4.34Å; F39-C90 HydrophobicContact CE1-CB 3.5Å; F39-C90 VanDerWaalsContact CE1-CB 3.5Å; F39-C90 HydrophobicContact CZ-CB 4.08Å; F39-F91 HydrophobicContact CD1-CE1 4.14Å; F39-A102 HydrophobicContact CE2-CB 3.99Å; F39-A102 HydrophobicContact CZ-CB 3.87Å; F39-F122 HydrophobicContact CD2-CB 4.04Å; F39-F122 AromaticContact CD2-CD1 3.64Å; F39-F122 HydrophobicContact CD2-CD1 3.64Å; F39-F122 HydrophobicContact CD2-CD2 4.29Å; F39-F122 HydrophobicContact CD2-CE1 4.15Å; F39-F122 AromaticContact CD2-CG 3.72Å; F39-F122 HydrophobicContact CD2-CG 3.72Å; F39-F122 HydrophobicContact CE2-CB 3.8Å; F39-F122 AromaticContact CE2-CD1 3.93Å; F39-F122 HydrophobicContact CE2-CD1 3.93Å; F39-F122 AromaticContact CE2-CD2 3.71Å; F39-F122 HydrophobicContact CE2-CD2 3.71Å; F39-F122 HydrophobicContact CE2-CE1 4.46Å; F39-F122 HydrophobicContact CE2-CE2 4.26Å; F39-F122 AromaticContact CE2-CG 3.53Å; F39-F122 HydrophobicContact CE2-CG 3.53Å; F39-F124 HydrophobicContact CD2-CE1 4.48Å; F39-F124 AromaticContact CD2-CZ 3.69Å; F39-F124 HydrophobicContact CD2-CZ 3.69Å; F39-F124 AromaticContact CE2-CZ 3.98Å; F39-F124 HydrophobicContact CE2-CZ 3.98Å; F39-F124 HydrophobicContact CG-CZ 4.1Å; F39-M230 HydrophobicContact CB-SD 3.94Å; F39-M230 HydrophobicContact CD2-SD 4.36Å
40	A	98	Very high	96.4	Very high	20 Å²	20	19 Å²	19	17%	0.165	9%	0.089	C	C	.	.	H	α-helix	trans	-64.7	-36.5	178.9	0	0	0	0	0	112.6	K36 S44 I87 F91	K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 3.22Å; A40-S44 WeakPolarHBondContact O-CB 3.4Å; A40-S44 PolarHBondContact O-N 3.28Å; A40-S44 PolarHBondContact O-OG 2.92Å; A40-I87 HydrophobicContact CB-CG2 3.92Å; A40-F91 HydrophobicContact CB-CE1 4.39Å; A40-F91 HydrophobicContact CB-CZ 3.86Å
41	T	97.4	Very high	96.4	Very high	8 Å²	8	19.7 Å²	19.7	5%	0.049	11%	0.109	C	C	.	.	H	α-helix	trans	-66.9	-42.6	175.6	-58.3	0	0	0	0	110.9	V20 K37 L38 F39 S44 C45 L68 I70 I161	V20-T41 HydrophobicContact CG1-CG2 4.43Å; K37-T41 VanDerWaalsContact O-CB 3.22Å; K37-T41 WeakPolarHBondContact O-CB 3.17Å; K37-T41 PolarHBondContact O-N 2.83Å; K37-T41 PolarHBondContact O-OG1 3.12Å; L38-T41 PolarHBondContact O-N 3.37Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.5Å; T41-S44 PolarHBondContact O-N 3.07Å; T41-C45 WeakPolarHBondContact O-CB 3.5Å; T41-C45 PolarHBondContact O-N 3.27Å; T41-L68 HydrophobicContact CG2-CD1 3.67Å; T41-I70 HydrophobicContact CG2-CD1 3.98Å; T41-I161 HydrophobicContact CG2-CD1 3.76Å; T41-I161 HydrophobicContact CG2-CG1 4.15Å
42	S	97.8	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-45.5	175.3	-64.9	0	0	0	0	112.2	L38 F39 C45 I46 I161 L164	L38-S42 WeakPolarHBondContact O-CB 3.44Å; L38-S42 PolarHBondContact O-N 3.29Å; L38-S42 PolarHBondContact O-OG 3.48Å; L38-S42 VanDerWaalsContact O-OG 3.07Å; F39-S42 PolarHBondContact O-N 3.13Å; S42-C45 WeakPolarHBondContact O-CB 3.41Å; S42-C45 PolarHBondContact O-N 2.9Å; S42-I46 WeakPolarHBondContact O-CD1 3.36Å; S42-I46 WeakPolarHBondContact O-CG1 3.23Å; S42-I46 PolarHBondContact O-N 2.92Å; S42-I161 WeakPolarHBondContact OG-CD1 3.36Å; S42-L164 WeakPolarHBondContact OG-CD1 3.17Å
43	I	97.9	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.4	-70.4	169.9	0	0	0	110.6	F39 C45 I46 T47 I83 I87 F122 M182	F39-I43 HydrophobicContact CD1-CD1 4.07Å; F39-I43 HydrophobicContact CD2-CD1 4.09Å; F39-I43 HydrophobicContact CE1-CD1 3.5Å; F39-I43 HydrophobicContact CE2-CD1 3.54Å; F39-I43 HydrophobicContact CE2-CG1 4.25Å; F39-I43 HydrophobicContact CG-CD1 4.35Å; F39-I43 HydrophobicContact CZ-CD1 3.23Å; F39-I43 HydrophobicContact CZ-CG1 4.38Å; F39-I43 PolarHBondContact O-N 2.97Å; I43-C45 VanDerWaalsContact C-N 3.29Å; I43-C45 PolarHBondContact O-N 3.15Å; I43-I46 PolarHBondContact O-N 3.34Å; I43-T47 HydrophobicContact CG2-CG2 4Å; I43-T47 WeakPolarHBondContact O-CG2 3.49Å; I43-T47 PolarHBondContact O-N 2.82Å; I43-T47 PolarHBondContact O-OG1 2.57Å; I43-I83 HydrophobicContact CG2-CG2 3.73Å; I43-I87 HydrophobicContact CB-CD1 4.24Å; I43-I87 HydrophobicContact CD1-CD1 4.33Å; I43-I87 HydrophobicContact CD1-CG1 3.79Å; I43-I87 HydrophobicContact CG2-CD1 3.95Å; I43-I87 HydrophobicContact CG2-CG1 4.43Å; I43-F122 HydrophobicContact CG1-CE2 4.27Å; I43-F122 HydrophobicContact CG1-CZ 4.16Å; I43-M182 HydrophobicContact CD1-CE 3.71Å
44	S	97.6	Very high	96.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-40.4	178.6	-56.5	0	0	0	0	112	A40 T41 T47 Y48 K69 L71	A40-S44 WeakPolarHBondContact O-CB 3.4Å; A40-S44 PolarHBondContact O-N 3.28Å; A40-S44 PolarHBondContact O-OG 2.92Å; T41-S44 PolarHBondContact O-N 3.07Å; S44-T47 PolarHBondContact O-OG1 3.28Å; S44-Y48 WeakPolarHBondContact O-CB 3.46Å; S44-Y48 PolarHBondContact O-N 3.12Å; S44-K69 VanDerWaalsContact CB-O 3.25Å; S44-K69 WeakPolarHBondContact CB-O 3.22Å; S44-L71 WeakPolarHBondContact OG-CB 3.25Å; S44-L71 PolarHBondContact OG-N 2.89Å
45	C	96.1	Very high	96.3	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-49.7	174.9	-174.2	0	0	0	0	111.1	T41 S42 I43 Y48 L49	T41-C45 WeakPolarHBondContact O-CB 3.5Å; T41-C45 PolarHBondContact O-N 3.27Å; S42-C45 WeakPolarHBondContact O-CB 3.41Å; S42-C45 PolarHBondContact O-N 2.9Å; I43-C45 VanDerWaalsContact C-N 3.29Å; I43-C45 PolarHBondContact O-N 3.15Å; C45-Y48 PolarHBondContact O-N 3.41Å; C45-L49 WeakPolarHBondContact O-CB 3.26Å; C45-L49 WeakPolarHBondContact O-CG 3.42Å; C45-L49 PolarHBondContact O-N 3.48Å; C45-L49 VanDerWaalsContact SG-CD1 3.55Å
46	I	96.2	Very high	96.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-53.2	177.9	-66.8	159.6	0	0	0	110.6	S42 I43 Y48 L49 R50 L104 Y120 F122 L164 M168	S42-I46 WeakPolarHBondContact O-CD1 3.36Å; S42-I46 WeakPolarHBondContact O-CG1 3.23Å; S42-I46 PolarHBondContact O-N 2.92Å; I43-I46 PolarHBondContact O-N 3.34Å; I46-Y48 VanDerWaalsContact C-N 3.27Å; I46-Y48 PolarHBondContact O-N 2.94Å; I46-L49 PolarHBondContact O-N 3.32Å; I46-R50 HydrophobicContact CG2-CG 4.27Å; I46-R50 VanDerWaalsContact O-CB 3.29Å; I46-R50 WeakPolarHBondContact O-CB 3.49Å; I46-R50 VanDerWaalsContact O-CG 3.26Å; I46-R50 WeakPolarHBondContact O-CG 3.3Å; I46-R50 PolarHBondContact O-N 3.43Å; I46-L104 HydrophobicContact CG2-CD2 4.28Å; I46-Y120 HydrophobicContact CD1-CD1 3.53Å; I46-Y120 HydrophobicContact CD1-CE1 4.11Å; I46-Y120 HydrophobicContact CD1-CG 3.81Å; I46-Y120 HydrophobicContact CG1-CD1 3.98Å; I46-Y120 HydrophobicContact CG1-CE1 4.04Å; I46-Y120 HydrophobicContact CG2-CD1 4.22Å; I46-Y120 HydrophobicContact CG2-CD2 4.05Å; I46-Y120 HydrophobicContact CG2-CE1 3.9Å; I46-Y120 HydrophobicContact CG2-CE2 3.71Å; I46-Y120 HydrophobicContact CG2-CG 4.31Å; I46-F122 HydrophobicContact CD1-CE2 4.36Å; I46-F122 HydrophobicContact CD1-CZ 3.75Å; I46-L164 HydrophobicContact CD1-CD2 4.47Å; I46-L164 HydrophobicContact CG1-CD2 4.44Å; I46-M168 HydrophobicContact CG1-SD 4.23Å; I46-M168 HydrophobicContact CG2-SD 4.47Å
47	T	96.6	Very high	96.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-31.6	-174.9	62.6	0	0	0	0	112.4	I43 S44 G51 L52 F53 Y58 I83	I43-T47 HydrophobicContact CG2-CG2 4Å; I43-T47 WeakPolarHBondContact O-CG2 3.49Å; I43-T47 PolarHBondContact O-N 2.82Å; I43-T47 PolarHBondContact O-OG1 2.57Å; S44-T47 PolarHBondContact O-OG1 3.28Å; T47-G51 PolarHBondContact O-N 2.78Å; T47-L52 HydrophobicContact CG2-CD1 4.1Å; T47-L52 PolarHBondContact O-N 3.47Å; T47-F53 HydrophobicContact CG2-CE2 4.11Å; T47-Y58 WeakPolarHBondContact CB-OH 3.49Å; T47-Y58 PolarHBondContact O-OH 3Å; T47-Y58 VanDerWaalsContact O-OH 3.04Å; T47-Y58 PolarHBondContact OG1-OH 2.97Å; T47-I83 HydrophobicContact CG2-CG2 4.45Å
48	Y	96.1	Very high	96.2	Very high	71 Å²	71	25.1 Å²	25.1	28%	0.278	15%	0.148	S	C	.	.	H	α-helix	trans	-72.5	-52.7	176.5	178.1	-106.1	0	0	0	111.5	S44 C45 I46 R50 G51 E55 Y58 K69	S44-Y48 WeakPolarHBondContact O-CB 3.46Å; S44-Y48 PolarHBondContact O-N 3.12Å; C45-Y48 PolarHBondContact O-N 3.41Å; I46-Y48 VanDerWaalsContact C-N 3.27Å; I46-Y48 PolarHBondContact O-N 2.94Å; Y48-R50 VanDerWaalsContact C-N 3.31Å; Y48-R50 PolarHBondContact O-N 2.86Å; Y48-G51 WeakPolarHBondContact O-CA 3.3Å; Y48-G51 PolarHBondContact O-N 3.2Å; Y48-E55 WeakPolarHBondContact CE2-OE2 3.28Å; Y48-Y58 WeakPolarHBondContact CA-OH 3.44Å; Y48-Y58 HydrophobicContact CD2-CD1 4.34Å; Y48-Y58 AromaticContact CD2-CD2 3.81Å; Y48-Y58 HydrophobicContact CD2-CD2 3.81Å; Y48-Y58 HydrophobicContact CD2-CE1 4.4Å; Y48-Y58 AromaticContact CD2-CE2 3.86Å; Y48-Y58 HydrophobicContact CD2-CE2 3.86Å; Y48-Y58 HydrophobicContact CD2-CG 4.05Å; Y48-Y58 PolarHBondContact N-OH 2.7Å; Y48-Y58 VanDerWaalsContact N-OH 3.14Å; Y48-K69 HydrophobicContact CD1-CB 3.8Å; Y48-K69 HydrophobicContact CD1-CG 3.72Å; Y48-K69 HydrophobicContact CD2-CB 3.65Å; Y48-K69 HydrophobicContact CD2-CG 3.73Å; Y48-K69 HydrophobicContact CE1-CB 4.19Å; Y48-K69 HydrophobicContact CE1-CG 3.56Å; Y48-K69 HydrophobicContact CE2-CB 4.06Å; Y48-K69 HydrophobicContact CE2-CD 4.14Å; Y48-K69 HydrophobicContact CE2-CG 3.58Å; Y48-K69 HydrophobicContact CG-CB 3.52Å; Y48-K69 HydrophobicContact CG-CG 3.8Å; Y48-K69 VanDerWaalsContact CZ-CG 3.49Å
49	L	94.4	Very high	96.1	Very high	37 Å²	37	25.9 Å²	25.9	19%	0.194	16%	0.156	C	C	.	.	H	α-helix	trans	-70.9	-26.9	-175.6	-67.7	173.1	0	0	0	113	C45 I46 G51 Y165 M168	C45-L49 WeakPolarHBondContact O-CB 3.26Å; C45-L49 WeakPolarHBondContact O-CG 3.42Å; C45-L49 PolarHBondContact O-N 3.48Å; C45-L49 VanDerWaalsContact SG-CD1 3.55Å; I46-L49 PolarHBondContact O-N 3.32Å; L49-G51 PolarHBondContact O-N 2.75Å; L49-Y165 HydrophobicContact CD1-CD1 4.31Å; L49-Y165 HydrophobicContact CD1-CD2 3.64Å; L49-Y165 HydrophobicContact CD1-CE2 3.98Å; L49-Y165 HydrophobicContact CD1-CG 3.8Å; L49-Y165 HydrophobicContact CD2-CD2 4.41Å; L49-Y165 HydrophobicContact CD2-CE1 4.26Å; L49-Y165 HydrophobicContact CD2-CE2 3.91Å; L49-Y165 HydrophobicContact CG-CD2 4.47Å; L49-Y165 HydrophobicContact CG-CE2 4.35Å; L49-M168 HydrophobicContact CB-CB 3.58Å; L49-M168 HydrophobicContact CB-CG 4.09Å; L49-M168 HydrophobicContact CD1-CB 3.62Å; L49-M168 HydrophobicContact CD1-CG 4.02Å; L49-M168 HydrophobicContact CG-CB 4.25Å
50	R	93.7	Very high	95.9	Very high	23 Å²	23	30.4 Å²	30.4	9%	0.087	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	1.4	169.4	-58.8	-52.6	-69.6	141.7	-9.6	113.4	I46 Y48 L52 E118 M168 E172 L174	I46-R50 HydrophobicContact CG2-CG 4.27Å; I46-R50 VanDerWaalsContact O-CB 3.29Å; I46-R50 WeakPolarHBondContact O-CB 3.49Å; I46-R50 VanDerWaalsContact O-CG 3.26Å; I46-R50 WeakPolarHBondContact O-CG 3.3Å; I46-R50 PolarHBondContact O-N 3.43Å; Y48-R50 VanDerWaalsContact C-N 3.31Å; Y48-R50 PolarHBondContact O-N 2.86Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 HydrophobicContact CB-CD2 4.27Å; R50-L52 HydrophobicContact CB-CG 4.1Å; R50-L52 PolarHBondContact O-N 3.49Å; R50-E118 IonicContact CZ-OE1 3.39Å; R50-E118 IonicContact CZ-OE2 3.7Å; R50-E118 IonicContact NE-OE1 3.43Å; R50-E118 PolarHBondContact NE-OE1 3.15Å; R50-E118 IonicContact NE-OE2 2.92Å; R50-E118 PolarHBondContact NE-OE2 2.64Å; R50-E118 IonicContact NH2-OE1 2.66Å; R50-E118 PolarHBondContact NH2-OE1 3.03Å; R50-E118 IonicContact NH2-OE2 3.69Å; R50-M168 HydrophobicContact CG-SD 4.23Å; R50-E172 PolarHBondContact NH1-O 3.08Å; R50-E172 PolarHBondContact NH2-O 3.41Å; R50-L174 HydrophobicContact CB-CD1 3.86Å; R50-L174 VanDerWaalsContact CZ-CG 3.48Å
51	G	93.5	Very high	95.6	Very high	61 Å²	61	35.9 Å²	35.9	63%	0.629	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	29.5	173	0	0	0	0	0	114.6	T47 Y48 L49 F53	T47-G51 PolarHBondContact O-N 2.78Å; Y48-G51 WeakPolarHBondContact O-CA 3.3Å; Y48-G51 PolarHBondContact O-N 3.2Å; L49-G51 PolarHBondContact O-N 2.75Å; G51-F53 PolarHBondContact O-N 2.84Å
52	L	93.5	Very high	95.2	Very high	39 Å²	39	41 Å²	41	20%	0.204	22%	0.217	C	C	.	.			trans	-75.1	-24.9	-170.9	-59.3	-174.1	0	0	0	113.9	T47 R50 L106 L174 V178 L180	T47-L52 HydrophobicContact CG2-CD1 4.1Å; T47-L52 PolarHBondContact O-N 3.47Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 HydrophobicContact CB-CD2 4.27Å; R50-L52 HydrophobicContact CB-CG 4.1Å; R50-L52 PolarHBondContact O-N 3.49Å; L52-L106 HydrophobicContact CD1-CD2 4.28Å; L52-L106 HydrophobicContact CD2-CD2 4.23Å; L52-L174 HydrophobicContact CD2-CD1 3.48Å; L52-L174 VanDerWaalsContact CD2-CD1 3.48Å; L52-V178 HydrophobicContact CD2-CG2 4.2Å; L52-L180 HydrophobicContact CD1-CD1 4.45Å; L52-L180 HydrophobicContact CD1-CD2 3.81Å
53	F	95	Very high	94.7	Very high	34 Å²	34	41.3 Å²	41.3	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-137.5	154.8	-175.6	-54.3	-57.5	0	0	0	110.9	T47 G51 Y58 L71 G79 I83	T47-F53 HydrophobicContact CG2-CE2 4.11Å; G51-F53 PolarHBondContact O-N 2.84Å; F53-Y58 HydrophobicContact CB-CE2 3.84Å; F53-Y58 WeakPolarHBondContact CD2-OH 3.4Å; F53-L71 HydrophobicContact CD2-CD1 3.95Å; F53-L71 HydrophobicContact CE2-CD1 4.5Å; F53-G79 VanDerWaalsContact CE1-C 3.42Å; F53-I83 HydrophobicContact CE2-CB 4.47Å; F53-I83 HydrophobicContact CE2-CG1 3.62Å; F53-I83 HydrophobicContact CZ-CD1 4.34Å; F53-I83 HydrophobicContact CZ-CG1 3.5Å
54	P	95.6	Very high	94.1	Very high	66 Å²	66	45.7 Å²	45.7	43%	0.429	24%	0.242	S	C	.	.			trans	-68.9	160.4	178.6	29.8	-36.8	0	0	0	112.4	S56 S57 Y58 C77	P54-S56 PolarHBondContact O-N 3.14Å; P54-S57 WeakPolarHBondContact O-CB 3.4Å; P54-S57 PolarHBondContact O-N 3.46Å; P54-Y58 WeakPolarHBondContact O-CD2 3.43Å; P54-C77 HydrophobicContact CG-CB 4.44Å
55	E	95.4	Very high	93.5	Very high	97 Å²	97	51.5 Å²	51.5	45%	0.453	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-52.9	-32.4	178.8	-171	60.5	-157.7	0	0	113.4	Y48 S57 Y58 K69	Y48-E55 WeakPolarHBondContact CE2-OE2 3.28Å; E55-S57 PolarHBondContact O-N 2.84Å; E55-Y58 PolarHBondContact O-N 2.82Å; E55-K69 WeakPolarHBondContact OE1-CE 3.42Å; E55-K69 IonicContact OE1-NZ 3.92Å; E55-K69 PolarHBondContact OE1-NZ 2.91Å
56	S	95.4	Very high	93	Very high	53 Å²	53	52.3 Å²	52.3	37%	0.371	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.8	-23.5	178.1	59.8	0	0	0	0	114.1	P54 Y58 R72 D74	P54-S56 PolarHBondContact O-N 3.14Å; S56-Y58 PolarHBondContact O-N 2.83Å; S56-R72 VanDerWaalsContact O-CZ 3.3Å; S56-R72 PolarHBondContact O-NE 2.94Å; S56-R72 PolarHBondContact O-NH2 3.38Å; S56-D74 WeakPolarHBondContact CB-OD2 3.43Å; S56-D74 PolarHBondContact OG-OD2 3.43Å
57	S	97.4	Very high	92.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-81.8	1.6	176.6	-66	0	0	0	0	113.6	P54 E55 R72 D74 C77 S80	P54-S57 WeakPolarHBondContact O-CB 3.4Å; P54-S57 PolarHBondContact O-N 3.46Å; E55-S57 PolarHBondContact O-N 2.84Å; S57-R72 PolarHBondContact O-N 3.23Å; S57-D74 PolarHBondContact N-OD2 3.02Å; S57-D74 WeakPolarHBondContact OG-CB 3.46Å; S57-D74 PolarHBondContact OG-OD2 3.34Å; S57-C77 WeakPolarHBondContact OG-CB 3.45Å; S57-S80 PolarHBondContact OG-OG 2.91Å
58	Y	97.4	Very high	92.6	Very high	6 Å²	6	54.7 Å²	54.7	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.8	178.2	-60.3	-84.8	0	0	0	112.1	T47 Y48 F53 P54 E55 S56 K69 I70 L71 R72	T47-Y58 WeakPolarHBondContact CB-OH 3.49Å; T47-Y58 PolarHBondContact O-OH 3Å; T47-Y58 VanDerWaalsContact O-OH 3.04Å; T47-Y58 PolarHBondContact OG1-OH 2.97Å; Y48-Y58 WeakPolarHBondContact CA-OH 3.44Å; Y48-Y58 HydrophobicContact CD2-CD1 4.34Å; Y48-Y58 AromaticContact CD2-CD2 3.81Å; Y48-Y58 HydrophobicContact CD2-CD2 3.81Å; Y48-Y58 HydrophobicContact CD2-CE1 4.4Å; Y48-Y58 AromaticContact CD2-CE2 3.86Å; Y48-Y58 HydrophobicContact CD2-CE2 3.86Å; Y48-Y58 HydrophobicContact CD2-CG 4.05Å; Y48-Y58 PolarHBondContact N-OH 2.7Å; Y48-Y58 VanDerWaalsContact N-OH 3.14Å; F53-Y58 HydrophobicContact CB-CE2 3.84Å; F53-Y58 WeakPolarHBondContact CD2-OH 3.4Å; P54-Y58 WeakPolarHBondContact O-CD2 3.43Å; E55-Y58 PolarHBondContact O-N 2.82Å; S56-Y58 PolarHBondContact O-N 2.83Å; Y58-K69 HydrophobicContact CD1-CB 4Å; Y58-K69 HydrophobicContact CG-CB 4.11Å; Y58-I70 CarbonylContact C-O 3.5Å; Y58-I70 WeakPolarHBondContact CA-O 3.31Å; Y58-L71 HydrophobicContact CD1-CB 4.42Å; Y58-L71 HydrophobicContact CD1-CD1 4.02Å; Y58-L71 HydrophobicContact CE1-CB 4.28Å; Y58-L71 HydrophobicContact CE1-CD1 3.46Å; Y58-L71 VanDerWaalsContact CE1-CD1 3.46Å; Y58-L71 HydrophobicContact CE1-CG 4.49Å; Y58-R72 PolarHBondContact O-NE 2.95Å
59	G	95.3	Very high	92.6	Very high	16 Å²	16	53 Å²	53	17%	0.165	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	151.7	166.7	0	0	0	0	0	110.2	I70	G59-I70 PolarHBondContact N-O 3.35Å; G59-I70 PolarHBondContact O-N 2.95Å
60	E	93.9	Very high	92.7	Very high	95 Å²	95	53.2 Å²	53.2	44%	0.444	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135	-178.8	-165.6	166.9	174.8	0	0	111.7	H62 S67 L68 K69	E60-H62 IonicContact OE1-CE1 2.63Å; E60-S67 WeakPolarHBondContact CG-OG 3.41Å; E60-S67 PolarHBondContact OE1-OG 3Å; E60-L68 WeakPolarHBondContact CA-O 3.44Å; E60-K69 IonicContact OE2-NZ 3.34Å
61	R	92.5	Very high	92.8	Very high	135 Å²	135	53 Å²	53	51%	0.509	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.7	172.2	-70.3	-66	-176.4	-91.5	3.4	109.2	V20 L68 I70	V20-R61 HydrophobicContact CG2-CB 3.85Å; R61-L68 PolarHBondContact N-O 3.05Å; R61-L68 WeakPolarHBondContact O-CA 3.24Å; R61-L68 WeakPolarHBondContact O-CB 3.15Å; R61-L68 PolarHBondContact O-N 2.88Å; R61-I70 HydrophobicContact CB-CG1 3.78Å; R61-I70 HydrophobicContact CG-CB 4.47Å; R61-I70 HydrophobicContact CG-CG1 3.71Å
62	H	88.7	Confident	92.8	Very high	115 Å²	115	56.2 Å²	56.2	53%	0.532	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.5	-179.8	-68.2	61.2	0	0	0	109.7	V20 E60 L66	V20-H62 WeakPolarHBondContact CG2-O 3.38Å; E60-H62 IonicContact OE1-CE1 2.63Å; H62-L66 WeakPolarHBondContact CA-O 3.26Å
63	L	86.6	Confident	92.7	Very high	7 Å²	7	60.3 Å²	60.3	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	101.9	170.9	178.5	66	0	0	0	107.8	V20 F21 D65 L66 L68 V158 I161	V20-L63 HydrophobicContact CB-CD1 4.27Å; V20-L63 HydrophobicContact CG2-CB 4.37Å; F21-L63 HydrophobicContact CD2-CD1 3.69Å; F21-L63 HydrophobicContact CD2-CD2 4.47Å; F21-L63 HydrophobicContact CE2-CD1 3.72Å; F21-L63 HydrophobicContact CE2-CD2 3.65Å; F21-L63 HydrophobicContact CE2-CG 4.37Å; F21-L63 HydrophobicContact CZ-CD2 4.32Å; L63-D65 PolarHBondContact O-N 3.4Å; L63-D65 VanDerWaalsContact O-N 3.13Å; L63-L66 PolarHBondContact N-O 2.9Å; L63-L66 PolarHBondContact O-N 3.29Å; L63-L68 HydrophobicContact CB-CD1 3.53Å; L63-L68 HydrophobicContact CB-CG 4.05Å; L63-L68 HydrophobicContact CD2-CD1 3.82Å; L63-L68 HydrophobicContact CG-CD1 4.33Å; L63-V158 HydrophobicContact CD1-CG2 3.85Å; L63-V158 HydrophobicContact CD2-CG2 4Å; L63-V158 HydrophobicContact CG-CG2 3.94Å; L63-I161 HydrophobicContact CD2-CB 4.33Å; L63-I161 HydrophobicContact CD2-CG1 4.36Å; L63-I161 HydrophobicContact CD2-CG2 4.37Å
64	D	85.7	Confident	92.5	Very high	92 Å²	92	59.6 Å²	59.6	49%	0.492	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-112.5	-169.1	-58	-23.8	0	0	0	111	K154	D64-K154 IonicContact OD1-NZ 3.33Å; D64-K154 PolarHBondContact OD1-NZ 2.92Å; D64-K154 IonicContact OD2-NZ 3.27Å
65	D	84.9	Confident	92.2	Very high	124 Å²	124	65.9 Å²	65.9	66%	0.663	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.6	177.3	63.1	-37.5	0	0	0	114.2	L63 R162	L63-D65 PolarHBondContact O-N 3.4Å; L63-D65 VanDerWaalsContact O-N 3.13Å; D65-R162 IonicContact OD1-CZ 2.88Å; D65-R162 IonicContact OD1-NE 3.52Å; D65-R162 IonicContact OD1-NH2 3.94Å; D65-R162 PolarHBondContact OD1-NH2 3.36Å; D65-R162 IonicContact OD2-NH2 3.67Å
66	L	85.5	Confident	92.1	Very high	26 Å²	26	70.3 Å²	70.3	14%	0.136	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.4	177.7	-73.8	97	0	0	0	112.1	H62 L63 L68 R162 Y165	H62-L66 WeakPolarHBondContact CA-O 3.26Å; L63-L66 PolarHBondContact N-O 2.9Å; L63-L66 PolarHBondContact O-N 3.29Å; L66-L68 HydrophobicContact CB-CD2 4.06Å; L66-L68 HydrophobicContact CD2-CD2 4.44Å; L66-R162 HydrophobicContact CD1-CG 3.56Å; L66-R162 HydrophobicContact CD2-CG 3.96Å; L66-R162 HydrophobicContact CG-CG 4.43Å; L66-Y165 HydrophobicContact CD2-CD2 4.45Å
67	S	90.9	Very high	91.9	Very high	46 Å²	46	68.8 Å²	68.8	32%	0.322	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.6	162.1	178.3	0	0	0	0	109.5	E60	E60-S67 WeakPolarHBondContact CG-OG 3.41Å; E60-S67 PolarHBondContact OE1-OG 3Å
68	L	93.4	Very high	91.7	Very high	5 Å²	5	72.8 Å²	72.8	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.9	179.7	-57.6	-177.7	0	0	0	110.7	T41 E60 R61 L63 L66 I70 I161	T41-L68 HydrophobicContact CG2-CD1 3.67Å; E60-L68 WeakPolarHBondContact CA-O 3.44Å; R61-L68 PolarHBondContact N-O 3.05Å; R61-L68 WeakPolarHBondContact O-CA 3.24Å; R61-L68 WeakPolarHBondContact O-CB 3.15Å; R61-L68 PolarHBondContact O-N 2.88Å; L63-L68 HydrophobicContact CB-CD1 3.53Å; L63-L68 HydrophobicContact CB-CG 4.05Å; L63-L68 HydrophobicContact CD2-CD1 3.82Å; L63-L68 HydrophobicContact CG-CD1 4.33Å; L66-L68 HydrophobicContact CB-CD2 4.06Å; L66-L68 HydrophobicContact CD2-CD2 4.44Å; L68-I70 HydrophobicContact CB-CD1 3.96Å; L68-I70 HydrophobicContact CB-CG1 4.48Å; L68-I161 HydrophobicContact CD1-CG2 4.28Å; L68-I161 HydrophobicContact CD2-CG2 3.73Å
69	K	95.6	Very high	91.4	Very high	36 Å²	36	73.9 Å²	73.9	16%	0.157	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.5	169.2	-63.2	-69.5	-173.8	-176.9	0	108.4	S44 Y48 E55 Y58 E60	S44-K69 VanDerWaalsContact CB-O 3.25Å; S44-K69 WeakPolarHBondContact CB-O 3.22Å; Y48-K69 HydrophobicContact CD1-CB 3.8Å; Y48-K69 HydrophobicContact CD1-CG 3.72Å; Y48-K69 HydrophobicContact CD2-CB 3.65Å; Y48-K69 HydrophobicContact CD2-CG 3.73Å; Y48-K69 HydrophobicContact CE1-CB 4.19Å; Y48-K69 HydrophobicContact CE1-CG 3.56Å; Y48-K69 HydrophobicContact CE2-CB 4.06Å; Y48-K69 HydrophobicContact CE2-CD 4.14Å; Y48-K69 HydrophobicContact CE2-CG 3.58Å; Y48-K69 HydrophobicContact CG-CB 3.52Å; Y48-K69 HydrophobicContact CG-CG 3.8Å; Y48-K69 VanDerWaalsContact CZ-CG 3.49Å; E55-K69 WeakPolarHBondContact OE1-CE 3.42Å; E55-K69 IonicContact OE1-NZ 3.92Å; E55-K69 PolarHBondContact OE1-NZ 2.91Å; Y58-K69 HydrophobicContact CD1-CB 4Å; Y58-K69 HydrophobicContact CG-CB 4.11Å; E60-K69 IonicContact OE2-NZ 3.34Å
70	I	96.4	Very high	91.4	Very high	41 Å²	41	73.1 Å²	73.1	21%	0.21	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.1	-179	-55.1	-56.4	0	0	0	108.1	T41 Y58 G59 R61 L68 R72	T41-I70 HydrophobicContact CG2-CD1 3.98Å; Y58-I70 CarbonylContact C-O 3.5Å; Y58-I70 WeakPolarHBondContact CA-O 3.31Å; G59-I70 PolarHBondContact N-O 3.35Å; G59-I70 PolarHBondContact O-N 2.95Å; R61-I70 HydrophobicContact CB-CG1 3.78Å; R61-I70 HydrophobicContact CG-CB 4.47Å; R61-I70 HydrophobicContact CG-CG1 3.71Å; L68-I70 HydrophobicContact CB-CD1 3.96Å; L68-I70 HydrophobicContact CB-CG1 4.48Å; I70-R72 PolarHBondContact O-N 3.03Å
71	L	96.3	Very high	91.4	Very high	18 Å²	18	70.7 Å²	70.7	9%	0.094	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	133.4	179.7	-163.2	71.8	0	0	0	109.6	S44 F53 Y58 I83 I84	S44-L71 WeakPolarHBondContact OG-CB 3.25Å; S44-L71 PolarHBondContact OG-N 2.89Å; F53-L71 HydrophobicContact CD2-CD1 3.95Å; F53-L71 HydrophobicContact CE2-CD1 4.5Å; Y58-L71 HydrophobicContact CD1-CB 4.42Å; Y58-L71 HydrophobicContact CD1-CD1 4.02Å; Y58-L71 HydrophobicContact CE1-CB 4.28Å; Y58-L71 HydrophobicContact CE1-CD1 3.46Å; Y58-L71 VanDerWaalsContact CE1-CD1 3.46Å; Y58-L71 HydrophobicContact CE1-CG 4.49Å; L71-I83 HydrophobicContact CD2-CB 3.76Å; L71-I83 HydrophobicContact CD2-CG2 3.68Å; L71-I84 HydrophobicContact CD2-CD1 4.38Å; L71-I84 HydrophobicContact CD2-CG1 3.65Å; L71-I84 HydrophobicContact CG-CD1 4.26Å; L71-I84 HydrophobicContact CG-CG1 4.01Å
72	R	94.4	Very high	91.5	Very high	130 Å²	130	68.5 Å²	68.5	49%	0.491	34%	0.341	S	S	.	.			trans	-132.5	159.1	177.9	70.5	175.4	-165.7	-171.8	2.8	110	S56 S57 Y58 I70 D74 I84	S56-R72 VanDerWaalsContact O-CZ 3.3Å; S56-R72 PolarHBondContact O-NE 2.94Å; S56-R72 PolarHBondContact O-NH2 3.38Å; S57-R72 PolarHBondContact O-N 3.23Å; Y58-R72 PolarHBondContact O-NE 2.95Å; I70-R72 PolarHBondContact O-N 3.03Å; R72-D74 PolarHBondContact O-N 3.21Å; R72-I84 WeakPolarHBondContact O-CD1 3.44Å
73	E	89.9	Confident	91.8	Very high	125 Å²	125	63.2 Å²	63.2	58%	0.584	32%	0.317	S	S	*	.			trans	-61.9	124.5	177.6	-69.2	-175.7	-176.7	0	0	111.1	L81 I84	E73-L81 HydrophobicContact CG-CD1 4.17Å; E73-I84 HydrophobicContact CB-CD1 4.35Å; E73-I84 HydrophobicContact CG-CD1 3.81Å
74	D	91.6	Very high	92.3	Very high	18 Å²	18	63.9 Å²	63.9	10%	0.096	32%	0.32	C	S	.	.			trans	-129.8	106.6	173.7	-176.6	-2.8	0	0	0	109.3	S56 S57 R72 K76 C77	S56-D74 WeakPolarHBondContact CB-OD2 3.43Å; S56-D74 PolarHBondContact OG-OD2 3.43Å; S57-D74 PolarHBondContact N-OD2 3.02Å; S57-D74 WeakPolarHBondContact OG-CB 3.46Å; S57-D74 PolarHBondContact OG-OD2 3.34Å; R72-D74 PolarHBondContact O-N 3.21Å; D74-K76 PolarHBondContact O-N 3.46Å; D74-K76 VanDerWaalsContact O-N 3.08Å; D74-K76 WeakPolarHBondContact OD1-CB 3.4Å; D74-K76 PolarHBondContact OD1-N 3.26Å; D74-C77 HydrophobicContact CB-CB 4.34Å; D74-C77 CarbonylContact O-C 3.53Å; D74-C77 PolarHBondContact O-N 3.18Å
75	K	88.6	Confident	92.8	Very high	198 Å²	198	64.6 Å²	64.6	86%	0.861	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.5	-179.2	-63.2	-176.9	-179.1	-179.7	0	112.8
76	K	92.8	Very high	93.4	Very high	190 Å²	190	60.9 Å²	60.9	83%	0.826	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.7	178.6	-58.2	-179.2	-178.9	-179.5	0	112.6	D74	D74-K76 PolarHBondContact O-N 3.46Å; D74-K76 VanDerWaalsContact O-N 3.08Å; D74-K76 WeakPolarHBondContact OD1-CB 3.4Å; D74-K76 PolarHBondContact OD1-N 3.26Å
77	C	92.9	Very high	94	Very high	21 Å²	21	60.3 Å²	60.3	14%	0.142	29%	0.289	C	S	.	.			trans	-124.4	88	178.3	-169.6	0	0	0	0	110.1	P54 S57 D74 G79 S80 L81	P54-C77 HydrophobicContact CG-CB 4.44Å; S57-C77 WeakPolarHBondContact OG-CB 3.45Å; D74-C77 HydrophobicContact CB-CB 4.34Å; D74-C77 CarbonylContact O-C 3.53Å; D74-C77 PolarHBondContact O-N 3.18Å; C77-G79 PolarHBondContact O-N 3.45Å; C77-G79 VanDerWaalsContact O-N 3.11Å; C77-S80 PolarHBondContact O-N 3.44Å; C77-S80 PolarHBondContact O-OG 2.91Å; C77-L81 PolarHBondContact O-N 2.85Å
78	P	92.1	Very high	94.3	Very high	84 Å²	84	61.9 Å²	61.9	55%	0.545	29%	0.291	S	S	.	.	H	α-helix	trans	-56.8	-29.4	178.2	-25.5	34.4	0	0	0	113.5	L81 H82	P78-L81 PolarHBondContact O-N 3.48Å; P78-H82 PolarHBondContact O-N 3.22Å; P78-H82 PolarHBondContact O-ND1 2.99Å
79	G	92.1	Very high	94.5	Very high	29 Å²	29	61.6 Å²	61.6	30%	0.299	29%	0.29	S	S	.	.	H	α-helix	trans	-59.3	-47.7	176.3	0	0	0	0	0	113.1	F53 C77 L81 H82 I83	F53-G79 VanDerWaalsContact CE1-C 3.42Å; C77-G79 PolarHBondContact O-N 3.45Å; C77-G79 VanDerWaalsContact O-N 3.11Å; G79-L81 VanDerWaalsContact C-N 3.31Å; G79-L81 PolarHBondContact O-N 3.07Å; G79-H82 WeakPolarHBondContact O-CB 3.4Å; G79-H82 PolarHBondContact O-N 2.9Å; G79-I83 PolarHBondContact O-N 3.08Å
80	S	94.4	Very high	94.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-36.4	178.4	61.6	0	0	0	0	111.6	S57 C77 H82 I83 I84	S57-S80 PolarHBondContact OG-OG 2.91Å; C77-S80 PolarHBondContact O-N 3.44Å; C77-S80 PolarHBondContact O-OG 2.91Å; S80-H82 VanDerWaalsContact C-N 3.33Å; S80-H82 PolarHBondContact O-N 3.09Å; S80-I83 PolarHBondContact O-N 3.44Å; S80-I84 WeakPolarHBondContact O-CG1 3.49Å; S80-I84 PolarHBondContact O-N 3.28Å; S80-I84 VanDerWaalsContact O-N 3.07Å
81	L	93.7	Very high	94.7	Very high	44 Å²	44	60.3 Å²	60.3	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-37.8	173.8	-176.5	62.9	0	0	0	112.5	E73 C77 P78 G79 I84 R85	E73-L81 HydrophobicContact CG-CD1 4.17Å; C77-L81 PolarHBondContact O-N 2.85Å; P78-L81 PolarHBondContact O-N 3.48Å; G79-L81 VanDerWaalsContact C-N 3.31Å; G79-L81 PolarHBondContact O-N 3.07Å; L81-I84 PolarHBondContact O-N 3.34Å; L81-R85 WeakPolarHBondContact O-CG 3.33Å; L81-R85 PolarHBondContact O-N 2.76Å
82	H	94	Very high	94.8	Very high	90 Å²	90	61.7 Å²	61.7	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-41.3	175	-69	130.7	0	0	0	112.1	P78 G79 S80 I84 R85 W86	P78-H82 PolarHBondContact O-N 3.22Å; P78-H82 PolarHBondContact O-ND1 2.99Å; G79-H82 WeakPolarHBondContact O-CB 3.4Å; G79-H82 PolarHBondContact O-N 2.9Å; S80-H82 VanDerWaalsContact C-N 3.33Å; S80-H82 PolarHBondContact O-N 3.09Å; H82-I84 VanDerWaalsContact C-N 3.33Å; H82-I84 PolarHBondContact O-N 3.19Å; H82-R85 WeakPolarHBondContact O-CB 3.48Å; H82-R85 PolarHBondContact O-N 3.42Å; H82-W86 PolarHBondContact O-N 3.5Å
83	I	96.5	Very high	94.9	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-39.3	176.8	-54.5	-47.5	0	0	0	111.4	I43 T47 F53 L71 G79 S80 R85 W86 I87 L180	I43-I83 HydrophobicContact CG2-CG2 3.73Å; T47-I83 HydrophobicContact CG2-CG2 4.45Å; F53-I83 HydrophobicContact CE2-CB 4.47Å; F53-I83 HydrophobicContact CE2-CG1 3.62Å; F53-I83 HydrophobicContact CZ-CD1 4.34Å; F53-I83 HydrophobicContact CZ-CG1 3.5Å; L71-I83 HydrophobicContact CD2-CB 3.76Å; L71-I83 HydrophobicContact CD2-CG2 3.68Å; G79-I83 PolarHBondContact O-N 3.08Å; S80-I83 PolarHBondContact O-N 3.44Å; I83-R85 VanDerWaalsContact C-N 3.32Å; I83-R85 PolarHBondContact O-N 2.98Å; I83-W86 HydrophobicContact CD1-CD2 4.21Å; I83-W86 HydrophobicContact CD1-CE3 3.29Å; I83-W86 HydrophobicContact CD1-CH2 4.04Å; I83-W86 HydrophobicContact CD1-CZ3 3.19Å; I83-W86 WeakPolarHBondContact O-CB 3.34Å; I83-W86 PolarHBondContact O-N 3.49Å; I83-I87 HydrophobicContact CG2-CD1 4.14Å; I83-I87 WeakPolarHBondContact O-CG1 3.4Å; I83-I87 PolarHBondContact O-N 3.23Å; I83-L180 HydrophobicContact CD1-CD2 3.49Å; I83-L180 VanDerWaalsContact CD1-CD2 3.49Å; I83-L180 HydrophobicContact CD1-CG 4.4Å; I83-L180 HydrophobicContact CG1-CD2 4.22Å
84	I	96.1	Very high	95.3	Very high	20 Å²	20	49.6 Å²	49.6	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-42.9	174.7	-66.9	169.4	0	0	0	110.8	L71 R72 E73 S80 L81 H82 W86 I87 Q88	L71-I84 HydrophobicContact CD2-CD1 4.38Å; L71-I84 HydrophobicContact CD2-CG1 3.65Å; L71-I84 HydrophobicContact CG-CD1 4.26Å; L71-I84 HydrophobicContact CG-CG1 4.01Å; R72-I84 WeakPolarHBondContact O-CD1 3.44Å; E73-I84 HydrophobicContact CB-CD1 4.35Å; E73-I84 HydrophobicContact CG-CD1 3.81Å; S80-I84 WeakPolarHBondContact O-CG1 3.49Å; S80-I84 PolarHBondContact O-N 3.28Å; S80-I84 VanDerWaalsContact O-N 3.07Å; L81-I84 PolarHBondContact O-N 3.34Å; H82-I84 VanDerWaalsContact C-N 3.33Å; H82-I84 PolarHBondContact O-N 3.19Å; I84-W86 VanDerWaalsContact C-N 3.34Å; I84-W86 PolarHBondContact O-N 2.96Å; I84-I87 PolarHBondContact O-N 2.96Å; I84-Q88 HydrophobicContact CG2-CG 4.49Å; I84-Q88 VanDerWaalsContact O-CG 3.3Å; I84-Q88 WeakPolarHBondContact O-CG 3.35Å; I84-Q88 PolarHBondContact O-N 3.39Å
85	R	96.1	Very high	95.5	Very high	107 Å²	107	54 Å²	54	40%	0.404	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-39.7	175.6	-71.8	174.5	177.9	172.1	-1.2	112.1	L81 H82 I83 Q88 G89	L81-R85 WeakPolarHBondContact O-CG 3.33Å; L81-R85 PolarHBondContact O-N 2.76Å; H82-R85 WeakPolarHBondContact O-CB 3.48Å; H82-R85 PolarHBondContact O-N 3.42Å; I83-R85 VanDerWaalsContact C-N 3.32Å; I83-R85 PolarHBondContact O-N 2.98Å; R85-Q88 WeakPolarHBondContact O-CB 3.48Å; R85-Q88 PolarHBondContact O-N 2.99Å; R85-G89 PolarHBondContact O-N 2.96Å
86	W	97.6	Very high	95.8	Very high	47 Å²	47	48.8 Å²	48.8	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-44.7	173.5	-67.1	-16.6	0	0	0	112.1	H82 I83 I84 Q88 G89 C90 L104 L180 M182 G199 F200	H82-W86 PolarHBondContact O-N 3.5Å; I83-W86 HydrophobicContact CD1-CD2 4.21Å; I83-W86 HydrophobicContact CD1-CE3 3.29Å; I83-W86 HydrophobicContact CD1-CH2 4.04Å; I83-W86 HydrophobicContact CD1-CZ3 3.19Å; I83-W86 WeakPolarHBondContact O-CB 3.34Å; I83-W86 PolarHBondContact O-N 3.49Å; I84-W86 VanDerWaalsContact C-N 3.34Å; I84-W86 PolarHBondContact O-N 2.96Å; W86-Q88 VanDerWaalsContact C-N 3.3Å; W86-Q88 PolarHBondContact O-N 2.87Å; W86-G89 PolarHBondContact O-N 3.23Å; W86-C90 PolarHBondContact O-N 2.89Å; W86-C90 PolarHBondContact O-SG 3.21Å; W86-L104 HydrophobicContact CZ3-CD1 4.44Å; W86-L180 WeakPolarHBondContact CH2-O 3.29Å; W86-L180 HydrophobicContact CZ3-CD2 4.45Å; W86-L180 HydrophobicContact CZ3-CG 4.25Å; W86-M182 HydrophobicContact CB-CE 4.35Å; W86-M182 HydrophobicContact CB-SD 3.98Å; W86-M182 HydrophobicContact CD2-CB 4.02Å; W86-M182 HydrophobicContact CE3-CB 3.61Å; W86-M182 HydrophobicContact CE3-CE 4.39Å; W86-M182 HydrophobicContact CZ3-CB 4.01Å; W86-G199 PolarHBondContact NE1-O 2.94Å; W86-F200 HydrophobicContact CB-CE2 4.1Å; W86-F200 HydrophobicContact CB-CZ 3.68Å; W86-F200 AromaticContact CD1-CZ 3.86Å; W86-F200 HydrophobicContact CG-CE1 4.37Å; W86-F200 HydrophobicContact CG-CE2 4.38Å; W86-F200 AromaticContact CG-CZ 3.87Å; W86-F200 HydrophobicContact CG-CZ 3.87Å; W86-F200 WeakPolarHBondContact O-CE2 3.48Å
87	I	98.1	Very high	95.9	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-43.2	174.9	-67.8	166.6	0	0	0	110.7	A40 I43 I83 I84 C90 F91	A40-I87 HydrophobicContact CB-CG2 3.92Å; I43-I87 HydrophobicContact CB-CD1 4.24Å; I43-I87 HydrophobicContact CD1-CD1 4.33Å; I43-I87 HydrophobicContact CD1-CG1 3.79Å; I43-I87 HydrophobicContact CG2-CD1 3.95Å; I43-I87 HydrophobicContact CG2-CG1 4.43Å; I83-I87 HydrophobicContact CG2-CD1 4.14Å; I83-I87 WeakPolarHBondContact O-CG1 3.4Å; I83-I87 PolarHBondContact O-N 3.23Å; I84-I87 PolarHBondContact O-N 2.96Å; I87-C90 WeakPolarHBondContact O-CB 3.5Å; I87-C90 PolarHBondContact O-N 3.32Å; I87-F91 HydrophobicContact CG2-CD1 4.14Å; I87-F91 HydrophobicContact CG2-CD2 4.37Å; I87-F91 HydrophobicContact CG2-CE1 3.57Å; I87-F91 HydrophobicContact CG2-CE2 3.82Å; I87-F91 HydrophobicContact CG2-CZ 3.41Å; I87-F91 VanDerWaalsContact CG2-CZ 3.41Å; I87-F91 VanDerWaalsContact O-CD1 3.29Å; I87-F91 WeakPolarHBondContact O-CD1 3.42Å; I87-F91 VanDerWaalsContact O-CG 3.3Å; I87-F91 WeakPolarHBondContact O-CG 3.45Å; I87-F91 PolarHBondContact O-N 3.26Å
88	Q	97.5	Very high	96.1	Very high	79 Å²	79	44.7 Å²	44.7	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-42.1	176.4	-72.1	168.9	-18.2	0	0	112.2	I84 R85 W86 C90 F91 D92 L198	I84-Q88 HydrophobicContact CG2-CG 4.49Å; I84-Q88 VanDerWaalsContact O-CG 3.3Å; I84-Q88 WeakPolarHBondContact O-CG 3.35Å; I84-Q88 PolarHBondContact O-N 3.39Å; R85-Q88 WeakPolarHBondContact O-CB 3.48Å; R85-Q88 PolarHBondContact O-N 2.99Å; W86-Q88 VanDerWaalsContact C-N 3.3Å; W86-Q88 PolarHBondContact O-N 2.87Å; Q88-C90 VanDerWaalsContact C-N 3.33Å; Q88-C90 PolarHBondContact O-N 2.74Å; Q88-F91 WeakPolarHBondContact O-CB 3.42Å; Q88-F91 PolarHBondContact O-N 3.19Å; Q88-F91 VanDerWaalsContact O-N 3.15Å; Q88-D92 PolarHBondContact O-N 3.33Å; Q88-D92 VanDerWaalsContact O-N 3.12Å; Q88-L198 HydrophobicContact CB-CD2 4.43Å
89	G	97.8	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-39.9	173.6	0	0	0	0	0	112.7	R85 W86 F91 D92 A93 P197 L198	R85-G89 PolarHBondContact O-N 2.96Å; W86-G89 PolarHBondContact O-N 3.23Å; G89-F91 VanDerWaalsContact C-N 3.34Å; G89-F91 PolarHBondContact O-N 3.27Å; G89-D92 PolarHBondContact O-N 3.33Å; G89-A93 PolarHBondContact O-N 3.33Å; G89-A93 VanDerWaalsContact O-N 3.13Å; G89-P197 WeakPolarHBondContact O-CB 3.19Å; G89-L198 WeakPolarHBondContact CA-O 3.25Å
90	C	98.3	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-37.3	172.3	-65.7	0	0	0	0	112.3	F39 W86 I87 Q88 A93 L94 L99 L184	F39-C90 HydrophobicContact CD1-CB 4.34Å; F39-C90 HydrophobicContact CE1-CB 3.5Å; F39-C90 VanDerWaalsContact CE1-CB 3.5Å; F39-C90 HydrophobicContact CZ-CB 4.08Å; W86-C90 PolarHBondContact O-N 2.89Å; W86-C90 PolarHBondContact O-SG 3.21Å; I87-C90 WeakPolarHBondContact O-CB 3.5Å; I87-C90 PolarHBondContact O-N 3.32Å; Q88-C90 VanDerWaalsContact C-N 3.33Å; Q88-C90 PolarHBondContact O-N 2.74Å; C90-A93 PolarHBondContact O-N 3.25Å; C90-L94 WeakPolarHBondContact O-CB 3.43Å; C90-L94 VanDerWaalsContact O-CG 3.23Å; C90-L94 WeakPolarHBondContact O-CG 3.49Å; C90-L94 PolarHBondContact O-N 3Å; C90-L99 HydrophobicContact CB-CD2 4.04Å; C90-L184 WeakPolarHBondContact SG-CD2 3.21Å
91	F	98.3	Very high	96.5	Very high	49 Å²	49	44.1 Å²	44.1	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-41.3	177.9	-71	-5.9	0	0	0	112.4	K36 F39 A40 I87 Q88 G89 L94 E95	K36-F91 HydrophobicContact CB-CD1 3.88Å; K36-F91 HydrophobicContact CB-CE1 3.53Å; K36-F91 HydrophobicContact CB-CE2 4.49Å; K36-F91 HydrophobicContact CB-CG 4.48Å; K36-F91 HydrophobicContact CB-CZ 3.85Å; K36-F91 HydrophobicContact CD-CB 4.16Å; K36-F91 HydrophobicContact CD-CD1 4Å; K36-F91 HydrophobicContact CD-CD2 4.32Å; K36-F91 HydrophobicContact CD-CE1 4.41Å; K36-F91 HydrophobicContact CD-CG 3.92Å; K36-F91 WeakPolarHBondContact CE-O 3.47Å; K36-F91 HydrophobicContact CG-CD1 3.57Å; K36-F91 HydrophobicContact CG-CE1 3.78Å; K36-F91 HydrophobicContact CG-CG 4.04Å; K36-F91 HydrophobicContact CG-CZ 4.42Å; K36-F91 WeakPolarHBondContact O-CE1 3.38Å; K36-F91 WeakPolarHBondContact O-CZ 3.36Å; F39-F91 HydrophobicContact CD1-CE1 4.14Å; A40-F91 HydrophobicContact CB-CE1 4.39Å; A40-F91 HydrophobicContact CB-CZ 3.86Å; I87-F91 HydrophobicContact CG2-CD1 4.14Å; I87-F91 HydrophobicContact CG2-CD2 4.37Å; I87-F91 HydrophobicContact CG2-CE1 3.57Å; I87-F91 HydrophobicContact CG2-CE2 3.82Å; I87-F91 HydrophobicContact CG2-CZ 3.41Å; I87-F91 VanDerWaalsContact CG2-CZ 3.41Å; I87-F91 VanDerWaalsContact O-CD1 3.29Å; I87-F91 WeakPolarHBondContact O-CD1 3.42Å; I87-F91 VanDerWaalsContact O-CG 3.3Å; I87-F91 WeakPolarHBondContact O-CG 3.45Å; I87-F91 PolarHBondContact O-N 3.26Å; Q88-F91 WeakPolarHBondContact O-CB 3.42Å; Q88-F91 PolarHBondContact O-N 3.19Å; Q88-F91 VanDerWaalsContact O-N 3.15Å; G89-F91 VanDerWaalsContact C-N 3.34Å; G89-F91 PolarHBondContact O-N 3.27Å; F91-L94 HydrophobicContact CD1-CD1 4.32Å; F91-L94 PolarHBondContact O-N 3.34Å; F91-E95 WeakPolarHBondContact O-CG 2.92Å; F91-E95 PolarHBondContact O-N 2.63Å
92	D	97.9	Very high	96.7	Very high	47 Å²	47	42 Å²	42	25%	0.251	18%	0.182	S	C	.	.	H	α-helix	trans	-62.2	-44.1	173.6	-179.4	77.2	0	0	0	111.2	Q88 G89 L94 E95 K96 Y195	Q88-D92 PolarHBondContact O-N 3.33Å; Q88-D92 VanDerWaalsContact O-N 3.12Å; G89-D92 PolarHBondContact O-N 3.33Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.07Å; D92-E95 PolarHBondContact O-N 2.89Å; D92-K96 PolarHBondContact O-N 2.89Å; D92-K96 WeakPolarHBondContact OD1-CE 3.32Å; D92-K96 IonicContact OD1-NZ 2.73Å; D92-K96 PolarHBondContact OD1-NZ 2.84Å; D92-K96 IonicContact OD2-NZ 2.68Å; D92-K96 PolarHBondContact OD2-NZ 2.85Å; D92-Y195 WeakPolarHBondContact OD2-CE2 3.42Å; D92-Y195 PolarHBondContact OD2-OH 2.82Å
93	A	97.6	Very high	96.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-33.5	176.9	0	0	0	0	0	113.3	G89 C90 R97 Y98 L99 Y186 Y195	G89-A93 PolarHBondContact O-N 3.33Å; G89-A93 VanDerWaalsContact O-N 3.13Å; C90-A93 PolarHBondContact O-N 3.25Å; A93-R97 PolarHBondContact O-N 2.93Å; A93-Y98 PolarHBondContact O-N 3.18Å; A93-L99 HydrophobicContact CB-CB 3.82Å; A93-L99 PolarHBondContact O-N 2.96Å; A93-Y186 HydrophobicContact CB-CE1 4.22Å; A93-Y195 WeakPolarHBondContact CA-OH 3.36Å; A93-Y195 HydrophobicContact CB-CE1 4.3Å; A93-Y195 VanDerWaalsContact CB-OH 3.29Å; A93-Y195 WeakPolarHBondContact CB-OH 3.26Å; A93-Y195 PolarHBondContact N-OH 3.31Å
94	L	97.1	Very high	96.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-69.8	-42.4	174.4	-74.2	166.9	0	0	0	111.6	L32 K36 C90 F91 D92 K96 R97 L99 F124 Y126	L32-L94 HydrophobicContact CD1-CB 3.93Å; K36-L94 HydrophobicContact CG-CD1 4.05Å; C90-L94 WeakPolarHBondContact O-CB 3.43Å; C90-L94 VanDerWaalsContact O-CG 3.23Å; C90-L94 WeakPolarHBondContact O-CG 3.49Å; C90-L94 PolarHBondContact O-N 3Å; F91-L94 HydrophobicContact CD1-CD1 4.32Å; F91-L94 PolarHBondContact O-N 3.34Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.07Å; L94-K96 VanDerWaalsContact C-N 3.26Å; L94-K96 PolarHBondContact O-N 2.86Å; L94-R97 PolarHBondContact O-N 3.18Å; L94-R97 VanDerWaalsContact O-N 3.07Å; L94-L99 HydrophobicContact CD2-CB 4.33Å; L94-L99 HydrophobicContact CD2-CD2 4.1Å; L94-L99 HydrophobicContact CG-CB 4.49Å; L94-L99 HydrophobicContact CG-CD2 3.97Å; L94-F124 HydrophobicContact CD1-CE1 4.35Å; L94-F124 HydrophobicContact CD2-CB 4.29Å; L94-F124 HydrophobicContact CD2-CD1 3.54Å; L94-F124 HydrophobicContact CD2-CD2 4.2Å; L94-F124 HydrophobicContact CD2-CE1 3.81Å; L94-F124 HydrophobicContact CD2-CE2 4.45Å; L94-F124 HydrophobicContact CD2-CG 3.74Å; L94-F124 HydrophobicContact CD2-CZ 4.26Å; L94-Y126 HydrophobicContact CD2-CE1 4.44Å; L94-Y126 WeakPolarHBondContact CD2-OH 3.38Å
95	E	96.1	Very high	96.5	Very high	111 Å²	111	37 Å²	37	52%	0.519	16%	0.159	S	C	.	.	H	α-helix	trans	-57.3	-40.9	176	-79.2	171.1	-160.4	0	0	112.2	L32 K36 F91 D92 R97	L32-E95 HydrophobicContact CD2-CB 4.43Å; L32-E95 HydrophobicContact CD2-CG 3.77Å; K36-E95 VanDerWaalsContact NZ-CD 3.29Å; K36-E95 IonicContact NZ-OE1 2.63Å; K36-E95 PolarHBondContact NZ-OE1 2.81Å; F91-E95 WeakPolarHBondContact O-CG 2.92Å; F91-E95 PolarHBondContact O-N 2.63Å; D92-E95 PolarHBondContact O-N 2.89Å; E95-R97 VanDerWaalsContact C-N 3.25Å; E95-R97 PolarHBondContact O-N 2.86Å
96	K	95.6	Very high	96.3	Very high	88 Å²	88	31.9 Å²	31.9	38%	0.383	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1	180	-64.5	170.7	-172.1	154.3	0	113.4	D92 L94 Y98 Y195	D92-K96 PolarHBondContact O-N 2.89Å; D92-K96 WeakPolarHBondContact OD1-CE 3.32Å; D92-K96 IonicContact OD1-NZ 2.73Å; D92-K96 PolarHBondContact OD1-NZ 2.84Å; D92-K96 IonicContact OD2-NZ 2.68Å; D92-K96 PolarHBondContact OD2-NZ 2.85Å; L94-K96 VanDerWaalsContact C-N 3.26Å; L94-K96 PolarHBondContact O-N 2.86Å; K96-Y98 HydrophobicContact CB-CD1 3.88Å; K96-Y98 HydrophobicContact CB-CD2 3.59Å; K96-Y98 HydrophobicContact CB-CE1 3.85Å; K96-Y98 HydrophobicContact CB-CE2 3.58Å; K96-Y98 HydrophobicContact CB-CG 3.75Å; K96-Y98 HydrophobicContact CD-CD2 3.98Å; K96-Y98 HydrophobicContact CD-CE2 3.56Å; K96-Y98 HydrophobicContact CG-CD2 4.42Å; K96-Y98 HydrophobicContact CG-CE2 4.11Å; K96-Y98 WeakPolarHBondContact O-CD1 3.46Å; K96-Y98 VanDerWaalsContact O-CE1 3.26Å; K96-Y98 WeakPolarHBondContact O-CE1 3.25Å; K96-Y98 PolarHBondContact O-N 2.84Å; K96-Y195 HydrophobicContact CD-CE2 4.04Å
97	R	94.9	Very high	95.7	Very high	80 Å²	80	30.9 Å²	30.9	30%	0.302	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	29.3	-173.8	-52.2	-176.8	179	-177	5.1	113.9	E28 A93 L94 E95 Y126	E28-R97 IonicContact OE1-CZ 3.21Å; E28-R97 IonicContact OE1-NE 3.06Å; E28-R97 PolarHBondContact OE1-NE 3.11Å; E28-R97 IonicContact OE1-NH2 2.64Å; E28-R97 PolarHBondContact OE1-NH2 3.28Å; E28-R97 IonicContact OE2-NH2 2.86Å; E28-R97 PolarHBondContact OE2-NH2 3.23Å; A93-R97 PolarHBondContact O-N 2.93Å; L94-R97 PolarHBondContact O-N 3.18Å; L94-R97 VanDerWaalsContact O-N 3.07Å; E95-R97 VanDerWaalsContact C-N 3.25Å; E95-R97 PolarHBondContact O-N 2.86Å; R97-Y126 HydrophobicContact CB-CD1 3.86Å; R97-Y126 HydrophobicContact CB-CD2 4Å; R97-Y126 HydrophobicContact CB-CE1 3.96Å; R97-Y126 HydrophobicContact CB-CE2 4.08Å; R97-Y126 HydrophobicContact CB-CG 3.91Å; R97-Y126 HydrophobicContact CG-CD1 3.7Å; R97-Y126 HydrophobicContact CG-CE1 4.01Å; R97-Y126 HydrophobicContact CG-CG 4.08Å; R97-Y126 WeakPolarHBondContact O-CE2 3.39Å
98	Y	96.4	Very high	94.8	Very high	45 Å²	45	32 Å²	32	18%	0.176	14%	0.143	C	C	.	.			trans	-86.2	-34.3	-180	-64.9	-13.4	0	0	0	112	A93 K96 R100 Y186 Y187 V190 T191 Y195	A93-Y98 PolarHBondContact O-N 3.18Å; K96-Y98 HydrophobicContact CB-CD1 3.88Å; K96-Y98 HydrophobicContact CB-CD2 3.59Å; K96-Y98 HydrophobicContact CB-CE1 3.85Å; K96-Y98 HydrophobicContact CB-CE2 3.58Å; K96-Y98 HydrophobicContact CB-CG 3.75Å; K96-Y98 HydrophobicContact CD-CD2 3.98Å; K96-Y98 HydrophobicContact CD-CE2 3.56Å; K96-Y98 HydrophobicContact CG-CD2 4.42Å; K96-Y98 HydrophobicContact CG-CE2 4.11Å; K96-Y98 WeakPolarHBondContact O-CD1 3.46Å; K96-Y98 VanDerWaalsContact O-CE1 3.26Å; K96-Y98 WeakPolarHBondContact O-CE1 3.25Å; K96-Y98 PolarHBondContact O-N 2.84Å; Y98-R100 PolarHBondContact O-N 3.43Å; Y98-Y186 CarbonylContact O-C 3.56Å; Y98-Y186 WeakPolarHBondContact O-CA 3.48Å; Y98-Y186 WeakPolarHBondContact O-CB 3.16Å; Y98-Y187 PolarHBondContact O-N 3.41Å; Y98-V190 HydrophobicContact CD1-CB 4.45Å; Y98-V190 HydrophobicContact CD1-CG2 3.97Å; Y98-V190 HydrophobicContact CE1-CB 4.47Å; Y98-V190 HydrophobicContact CE1-CG2 4.47Å; Y98-V190 WeakPolarHBondContact CE1-O 3.44Å; Y98-T191 WeakPolarHBondContact CB-OG1 3.5Å; Y98-T191 HydrophobicContact CD2-CG2 3.94Å; Y98-T191 HydrophobicContact CG-CG2 3.99Å; Y98-Y195 AromaticContact CD2-CD1 3.86Å; Y98-Y195 HydrophobicContact CD2-CD1 3.86Å; Y98-Y195 AromaticContact CD2-CD2 3.97Å; Y98-Y195 HydrophobicContact CD2-CD2 3.97Å; Y98-Y195 AromaticContact CD2-CE1 3.75Å; Y98-Y195 HydrophobicContact CD2-CE1 3.75Å; Y98-Y195 AromaticContact CD2-CE2 3.87Å; Y98-Y195 HydrophobicContact CD2-CE2 3.87Å; Y98-Y195 AromaticContact CD2-CG 3.96Å; Y98-Y195 HydrophobicContact CD2-CG 3.96Å; Y98-Y195 AromaticContact CD2-CZ 3.74Å; Y98-Y195 HydrophobicContact CE2-CD1 4.47Å; Y98-Y195 AromaticContact CE2-CD2 3.87Å; Y98-Y195 HydrophobicContact CE2-CD2 3.87Å; Y98-Y195 HydrophobicContact CE2-CE2 4.02Å; Y98-Y195 HydrophobicContact CE2-CG 4.1Å
99	L	97	Very high	93.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.1	-171.8	-169	62.3	0	0	0	112	C90 A93 L94 M101 A102 F124 Y126 L184 Y186	C90-L99 HydrophobicContact CB-CD2 4.04Å; A93-L99 HydrophobicContact CB-CB 3.82Å; A93-L99 PolarHBondContact O-N 2.96Å; L94-L99 HydrophobicContact CD2-CB 4.33Å; L94-L99 HydrophobicContact CD2-CD2 4.1Å; L94-L99 HydrophobicContact CG-CB 4.49Å; L94-L99 HydrophobicContact CG-CD2 3.97Å; L99-M101 WeakPolarHBondContact CD1-O 3.24Å; L99-A102 HydrophobicContact CD2-CB 4.42Å; L99-F124 HydrophobicContact CD2-CD2 3.79Å; L99-F124 HydrophobicContact CD2-CE2 3.53Å; L99-F124 HydrophobicContact CD2-CZ 4.26Å; L99-F124 HydrophobicContact CG-CD2 3.85Å; L99-F124 HydrophobicContact CG-CE2 4.06Å; L99-Y126 PolarHBondContact N-OH 3.42Å; L99-Y126 VanDerWaalsContact O-CE2 3.22Å; L99-Y126 WeakPolarHBondContact O-CE2 3.34Å; L99-Y126 PolarHBondContact O-OH 3.27Å; L99-L184 HydrophobicContact CD1-CB 3.9Å; L99-L184 HydrophobicContact CD1-CD1 4.31Å; L99-L184 HydrophobicContact CD1-CD2 3.97Å; L99-L184 HydrophobicContact CD1-CG 4.27Å; L99-Y186 HydrophobicContact CD1-CD1 4.31Å; L99-Y186 HydrophobicContact CD1-CE1 4.17Å
100	R	94.6	Very high	91.4	Very high	80 Å²	80	36.5 Å²	36.5	30%	0.302	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-42.1	171	180	-177.4	177.5	-165.2	3.5	110.9	Y98 K123 F124 H185 Y187	Y98-R100 PolarHBondContact O-N 3.43Å; R100-K123 WeakPolarHBondContact O-CA 3.44Å; R100-F124 PolarHBondContact O-N 3.43Å; R100-H185 WeakPolarHBondContact CA-O 3.48Å; R100-H185 WeakPolarHBondContact CB-O 3.42Å; R100-H185 PolarHBondContact N-O 3.32Å; R100-Y187 HydrophobicContact CB-CD1 4.35Å; R100-Y187 HydrophobicContact CB-CD2 3.78Å; R100-Y187 HydrophobicContact CB-CE1 4.27Å; R100-Y187 HydrophobicContact CB-CE2 3.66Å; R100-Y187 HydrophobicContact CB-CG 4.13Å; R100-Y187 HydrophobicContact CG-CD1 4.41Å; R100-Y187 HydrophobicContact CG-CE1 3.99Å; R100-Y187 HydrophobicContact CG-CE2 4.08Å
101	M	95.8	Very high	89.4	Confident	21 Å²	21	44.9 Å²	44.9	10%	0.103	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	138.6	-178.5	-165.7	178.4	-34.1	0	0	111.8	L99 V103 Q121 F122 K123 L184 H185	L99-M101 WeakPolarHBondContact CD1-O 3.24Å; M101-V103 HydrophobicContact CG-CG2 3.8Å; M101-V103 HydrophobicContact SD-CG2 3.62Å; M101-Q121 HydrophobicContact SD-CB 4.19Å; M101-Q121 HydrophobicContact SD-CG 4.2Å; M101-F122 CarbonylContact C-O 3.59Å; M101-F122 WeakPolarHBondContact CA-O 3.21Å; M101-F122 WeakPolarHBondContact CG-O 3.49Å; M101-K123 HydrophobicContact CE-CD 3.91Å; M101-K123 HydrophobicContact CE-CG 3.98Å; M101-K123 HydrophobicContact CG-CG 3.96Å; M101-K123 HydrophobicContact SD-CD 4.48Å; M101-K123 HydrophobicContact SD-CG 4.08Å; M101-L184 CarbonylContact O-C 3.53Å; M101-L184 WeakPolarHBondContact O-CA 3.18Å; M101-H185 HydrophobicContact CB-CB 4.09Å; M101-H185 PolarHBondContact N-O 3.46Å; M101-H185 PolarHBondContact O-N 3.33Å
102	A	97.3	Very high	87.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130	161.9	0	0	0	0	0	109.1	F39 L99 F122 F124 L184	F39-A102 HydrophobicContact CE2-CB 3.99Å; F39-A102 HydrophobicContact CZ-CB 3.87Å; L99-A102 HydrophobicContact CD2-CB 4.42Å; A102-F122 HydrophobicContact CB-CB 4.4Å; A102-F122 PolarHBondContact N-O 2.93Å; A102-F122 PolarHBondContact O-N 2.85Å; A102-F124 HydrophobicContact CB-CE2 4.26Å; A102-L184 HydrophobicContact CB-CD2 3.69Å
103	V	95.4	Very high	85.6	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.4	-177.4	-174.4	0	0	0	0	108.5	M101 M119 Y120 Q121 M182 K183	M101-V103 HydrophobicContact CG-CG2 3.8Å; M101-V103 HydrophobicContact SD-CG2 3.62Å; V103-M119 HydrophobicContact CG1-CG 3.44Å; V103-M119 VanDerWaalsContact CG1-CG 3.44Å; V103-M119 HydrophobicContact CG1-SD 3.57Å; V103-M119 VanDerWaalsContact CG1-SD 3.57Å; V103-Y120 WeakPolarHBondContact CA-O 3.48Å; V103-Q121 HydrophobicContact CG1-CG 4.28Å; V103-Q121 HydrophobicContact CG2-CG 4.27Å; V103-M182 CarbonylContact O-C 3.56Å; V103-M182 VanDerWaalsContact O-CA 3.24Å; V103-M182 WeakPolarHBondContact O-CA 3.29Å; V103-K183 PolarHBondContact N-O 3.28Å; V103-K183 PolarHBondContact O-N 3.13Å
104	L	95.8	Very high	84	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	118	174.3	-175.2	70.6	0	0	0	108.4	I46 W86 M119 Y120 L180 T181 M182	I46-L104 HydrophobicContact CG2-CD2 4.28Å; W86-L104 HydrophobicContact CZ3-CD1 4.44Å; L104-M119 WeakPolarHBondContact O-CA 3.25Å; L104-Y120 HydrophobicContact CB-CD2 4.4Å; L104-Y120 HydrophobicContact CD2-CD2 4.3Å; L104-Y120 HydrophobicContact CG-CD2 4.44Å; L104-Y120 PolarHBondContact N-O 2.9Å; L104-Y120 WeakPolarHBondContact O-CD2 3.36Å; L104-Y120 PolarHBondContact O-N 2.92Å; L104-L180 HydrophobicContact CD1-CD1 3.43Å; L104-L180 VanDerWaalsContact CD1-CD1 3.43Å; L104-L180 HydrophobicContact CD1-CD2 4.03Å; L104-L180 HydrophobicContact CD1-CG 3.75Å; L104-L180 HydrophobicContact CD2-CD1 4.16Å; L104-L180 HydrophobicContact CG-CD1 3.6Å; L104-L180 HydrophobicContact CG-CG 4.45Å; L104-T181 CarbonylContact C-O 3.45Å; L104-T181 WeakPolarHBondContact CA-O 3.4Å; L104-M182 HydrophobicContact CB-CE 4.45Å; L104-M182 HydrophobicContact CD1-CB 4.26Å; L104-M182 HydrophobicContact CD1-CE 3.81Å
105	T	92.4	Very high	82.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.9	-174.2	-52.8	0	0	0	0	110.8	Y107 V116 L180 T181 L209	T105-Y107 HydrophobicContact CG2-CD1 4.13Å; T105-V116 HydrophobicContact CG2-CG1 3.91Å; T105-V116 HydrophobicContact CG2-CG2 4.29Å; T105-L180 WeakPolarHBondContact O-CA 3.46Å; T105-T181 PolarHBondContact N-O 2.9Å; T105-T181 PolarHBondContact O-N 2.87Å; T105-L209 HydrophobicContact CG2-CD1 3.94Å; T105-L209 HydrophobicContact CG2-CD2 4.45Å
106	L	90.6	Very high	82	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.8	167.5	-73.9	165.2	0	0	0	109	L52 T117 E118 Y120 L174 V178 V179 L180	L52-L106 HydrophobicContact CD1-CD2 4.28Å; L52-L106 HydrophobicContact CD2-CD2 4.23Å; L106-T117 WeakPolarHBondContact O-CB 3.35Å; L106-T117 PolarHBondContact O-N 3.16Å; L106-E118 HydrophobicContact CB-CB 4.22Å; L106-E118 HydrophobicContact CD1-CB 4.25Å; L106-E118 WeakPolarHBondContact CD1-OE2 3.31Å; L106-E118 PolarHBondContact N-O 3.49Å; L106-E118 PolarHBondContact O-N 2.75Å; L106-E118 VanDerWaalsContact O-N 3.17Å; L106-Y120 HydrophobicContact CD1-CE2 3.97Å; L106-L174 HydrophobicContact CD1-CD1 3.91Å; L106-L174 HydrophobicContact CD1-CD2 3.91Å; L106-L174 HydrophobicContact CD2-CD1 4.3Å; L106-V178 HydrophobicContact CD2-CB 4.17Å; L106-V178 HydrophobicContact CD2-CG2 4.25Å; L106-V179 WeakPolarHBondContact CA-O 3.24Å; L106-L180 HydrophobicContact CD2-CB 4.14Å; L106-L180 HydrophobicContact CD2-CD1 3.6Å; L106-L180 HydrophobicContact CD2-CG 4.45Å; L106-L180 HydrophobicContact CG-CD1 3.8Å
107	Y	85.2	Confident	81.4	Confident	26 Å²	26	42.9 Å²	42.9	10%	0.102	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.2	173.9	59.2	-88.8	0	0	0	111.3	T105 K115 V179 T181	T105-Y107 HydrophobicContact CG2-CD1 4.13Å; Y107-K115 VanDerWaalsContact CA-O 3.31Å; Y107-K115 WeakPolarHBondContact CA-O 3.39Å; Y107-K115 WeakPolarHBondContact CB-O 3.26Å; Y107-V179 HydrophobicContact CD2-CB 4.23Å; Y107-V179 HydrophobicContact CE1-CB 4.27Å; Y107-V179 HydrophobicContact CE1-CG1 4.13Å; Y107-V179 HydrophobicContact CE2-CB 3.82Å; Y107-V179 HydrophobicContact CE2-CG1 4.08Å; Y107-V179 HydrophobicContact CE2-CG2 4.33Å; Y107-V179 PolarHBondContact N-O 3.03Å; Y107-V179 VanDerWaalsContact N-O 3.08Å; Y107-V179 PolarHBondContact O-N 2.92Å; Y107-T181 HydrophobicContact CE1-CG2 3.57Å; Y107-T181 WeakPolarHBondContact OH-CG2 3.5Å
108	T	80.1	Confident	81.2	Confident	37 Å²	37	39 Å²	39	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	145	174.2	54.2	0	0	0	0	109.5	K115 P175 V178	T108-K115 PolarHBondContact N-O 3.32Å; T108-P175 HydrophobicContact CG2-CB 3.71Å; T108-P175 HydrophobicContact CG2-CG 3.64Å; T108-V178 HydrophobicContact CG2-CG1 4.48Å
109	N	68.1	Low	81	Confident	74 Å²	74	37.1 Å²	37.1	40%	0.396	21%	0.205	S	C	.	.			trans	74.4	106.2	173	-166.9	9.2	0	0	0	116.8	M111 G112	N109-M111 VanDerWaalsContact C-N 3.32Å; N109-M111 PolarHBondContact OD1-N 3.29Å; N109-G112 WeakPolarHBondContact ND2-CA 3.41Å; N109-G112 PolarHBondContact ND2-N 2.94Å; N109-G112 PolarHBondContact OD1-N 2.85Å
110	P	55.7	Low	80.9	Confident	99 Å²	99	37.1 Å²	37.1	64%	0.643	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.8	171.6	30.5	-31.7	0	0	0	114.6	V179	P110-V179 HydrophobicContact CB-CG2 4.37Å
111	M	55.9	Low	81	Confident	175 Å²	175	34.3 Å²	34.3	86%	0.862	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.6	12.2	-171.8	-61.7	-62.2	-64.2	0	0	113.8	N109	N109-M111 VanDerWaalsContact C-N 3.32Å; N109-M111 PolarHBondContact OD1-N 3.29Å
112	G	58.2	Low	81.1	Confident	42 Å²	42	33.3 Å²	33.3	43%	0.433	19%	0.19	S	C	.	.	S	Bend	trans	-145.9	-157.7	-179.4	0	0	0	0	0	112.5	N109 E114	N109-G112 WeakPolarHBondContact ND2-CA 3.41Å; N109-G112 PolarHBondContact ND2-N 2.94Å; N109-G112 PolarHBondContact OD1-N 2.85Å; G112-E114 PolarHBondContact O-N 3.07Å
113	S	58.2	Low	81	Confident	80 Å²	80	36.9 Å²	36.9	56%	0.559	21%	0.206	S	C	*	.	S	Bend	trans	-59.1	124	173.1	59.2	0	0	0	0	109.8	K115	S113-K115 VanDerWaalsContact C-N 3.29Å; S113-K115 PolarHBondContact O-N 2.7Å; S113-K115 WeakPolarHBondContact OG-CE 3.37Å
114	E	64	Low	81.1	Confident	52 Å²	52	36.7 Å²	36.7	24%	0.243	20%	0.204	C	C	.	.			trans	-64.9	85.3	178.3	-63.1	-178.5	164	0	0	110.3	G112 V116 H207 L209	G112-E114 PolarHBondContact O-N 3.07Å; E114-V116 PolarHBondContact O-N 2.66Å; E114-H207 IonicContact OE1-CD2 3.07Å; E114-H207 WeakPolarHBondContact OE2-CB 3.44Å; E114-L209 HydrophobicContact CB-CD2 4.05Å; E114-L209 WeakPolarHBondContact OE2-CD2 3.47Å
115	K	71.6	Confident	81	Confident	73 Å²	73	43 Å²	43	32%	0.317	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103.8	-177.9	-72.1	-173.5	177.3	-158.8	0	109.8	Y107 T108 S113 T117 D212	Y107-K115 VanDerWaalsContact CA-O 3.31Å; Y107-K115 WeakPolarHBondContact CA-O 3.39Å; Y107-K115 WeakPolarHBondContact CB-O 3.26Å; T108-K115 PolarHBondContact N-O 3.32Å; S113-K115 VanDerWaalsContact C-N 3.29Å; S113-K115 PolarHBondContact O-N 2.7Å; S113-K115 WeakPolarHBondContact OG-CE 3.37Å; K115-T117 PolarHBondContact O-N 2.99Å; K115-D212 HydrophobicContact CD-CB 4.1Å; K115-D212 WeakPolarHBondContact CE-OD1 3.28Å; K115-D212 HydrophobicContact CG-CB 4.44Å; K115-D212 IonicContact NZ-OD1 2.97Å; K115-D212 PolarHBondContact NZ-OD1 3.08Å; K115-D212 IonicContact NZ-OD2 2.77Å; K115-D212 PolarHBondContact NZ-OD2 2.91Å
116	V	78.9	Confident	81	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124	177.9	-174.2	0	0	0	0	109.3	T105 E114 M119 L209 L210 F211	T105-V116 HydrophobicContact CG2-CG1 3.91Å; T105-V116 HydrophobicContact CG2-CG2 4.29Å; E114-V116 PolarHBondContact O-N 2.66Å; V116-M119 HydrophobicContact CG1-CB 4.28Å; V116-M119 HydrophobicContact CG1-CE 4.21Å; V116-M119 HydrophobicContact CG2-CE 4.5Å; V116-L209 HydrophobicContact CG2-CB 3.52Å; V116-L209 HydrophobicContact CG2-CD2 4.04Å; V116-L209 HydrophobicContact CG2-CG 4.27Å; V116-L210 PolarHBondContact N-O 2.96Å; V116-F211 HydrophobicContact CB-CD1 3.98Å; V116-F211 HydrophobicContact CB-CD2 4.35Å; V116-F211 HydrophobicContact CB-CE1 3.95Å; V116-F211 HydrophobicContact CB-CE2 4.31Å; V116-F211 HydrophobicContact CB-CG 4.19Å; V116-F211 HydrophobicContact CB-CZ 4.12Å; V116-F211 HydrophobicContact CG1-CD1 4.04Å; V116-F211 HydrophobicContact CG1-CD2 4.48Å; V116-F211 HydrophobicContact CG1-CE1 3.47Å; V116-F211 VanDerWaalsContact CG1-CE1 3.47Å; V116-F211 HydrophobicContact CG1-CE2 3.96Å; V116-F211 HydrophobicContact CG1-CZ 3.42Å; V116-F211 VanDerWaalsContact CG1-CZ 3.42Å; V116-F211 WeakPolarHBondContact O-CD1 3.38Å
117	T	82.9	Confident	80.7	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-50.6	173.5	-55.3	0	0	0	0	109.3	L106 K115 L174 K240	L106-T117 WeakPolarHBondContact O-CB 3.35Å; L106-T117 PolarHBondContact O-N 3.16Å; K115-T117 PolarHBondContact O-N 2.99Å; T117-L174 HydrophobicContact CG2-CD2 4.16Å; T117-K240 VanDerWaalsContact CG2-NZ 3.26Å
118	E	90.6	Very high	79.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.6	-177.7	-76.2	154.9	-139.4	0	0	110.2	R50 L106 Y120 L171 L174 M235	R50-E118 IonicContact CZ-OE1 3.39Å; R50-E118 IonicContact CZ-OE2 3.7Å; R50-E118 IonicContact NE-OE1 3.43Å; R50-E118 PolarHBondContact NE-OE1 3.15Å; R50-E118 IonicContact NE-OE2 2.92Å; R50-E118 PolarHBondContact NE-OE2 2.64Å; R50-E118 IonicContact NH2-OE1 2.66Å; R50-E118 PolarHBondContact NH2-OE1 3.03Å; R50-E118 IonicContact NH2-OE2 3.69Å; L106-E118 HydrophobicContact CB-CB 4.22Å; L106-E118 HydrophobicContact CD1-CB 4.25Å; L106-E118 WeakPolarHBondContact CD1-OE2 3.31Å; L106-E118 PolarHBondContact N-O 3.49Å; L106-E118 PolarHBondContact O-N 2.75Å; L106-E118 VanDerWaalsContact O-N 3.17Å; E118-Y120 HydrophobicContact CB-CE2 3.94Å; E118-Y120 PolarHBondContact OE2-OH 3.42Å; E118-L171 HydrophobicContact CG-CD1 4.38Å; E118-L174 VanDerWaalsContact OE1-CD2 3.29Å; E118-L174 WeakPolarHBondContact OE1-CD2 3.36Å; E118-M235 CarbonylContact C-O 3.53Å; E118-M235 WeakPolarHBondContact CA-O 3.47Å
119	M	91.9	Very high	78.8	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	128.8	176.1	-171.2	-174.9	-52.1	0	0	110.5	V103 L104 V116 Q121 L209 F211 V234 M235 I274	V103-M119 HydrophobicContact CG1-CG 3.44Å; V103-M119 VanDerWaalsContact CG1-CG 3.44Å; V103-M119 HydrophobicContact CG1-SD 3.57Å; V103-M119 VanDerWaalsContact CG1-SD 3.57Å; L104-M119 WeakPolarHBondContact O-CA 3.25Å; V116-M119 HydrophobicContact CG1-CB 4.28Å; V116-M119 HydrophobicContact CG1-CE 4.21Å; V116-M119 HydrophobicContact CG2-CE 4.5Å; M119-Q121 HydrophobicContact CG-CG 4.36Å; M119-Q121 HydrophobicContact SD-CG 4.29Å; M119-L209 HydrophobicContact CE-CB 4.46Å; M119-L209 HydrophobicContact CE-CD1 4.45Å; M119-F211 HydrophobicContact CB-CZ 4.22Å; M119-F211 HydrophobicContact CE-CE2 4.29Å; M119-V234 CarbonylContact O-C 3.6Å; M119-V234 WeakPolarHBondContact O-CA 3.22Å; M119-M235 HydrophobicContact CB-CB 4.33Å; M119-M235 HydrophobicContact CB-CE 4Å; M119-M235 HydrophobicContact CE-CE 3.84Å; M119-M235 HydrophobicContact CG-CE 3.96Å; M119-M235 PolarHBondContact N-O 3.47Å; M119-M235 PolarHBondContact O-N 3.05Å; M119-M235 HydrophobicContact SD-CE 3.12Å; M119-M235 WeakPolarHBondContact SD-CE 2.84Å; M119-I274 HydrophobicContact CE-CD1 4.08Å; M119-I274 HydrophobicContact SD-CD1 4.27Å
120	Y	95.4	Very high	78.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.1	179	-50.9	-91.3	0	0	0	109.2	I46 V103 L104 L106 E118 M168 V234	I46-Y120 HydrophobicContact CD1-CD1 3.53Å; I46-Y120 HydrophobicContact CD1-CE1 4.11Å; I46-Y120 HydrophobicContact CD1-CG 3.81Å; I46-Y120 HydrophobicContact CG1-CD1 3.98Å; I46-Y120 HydrophobicContact CG1-CE1 4.04Å; I46-Y120 HydrophobicContact CG2-CD1 4.22Å; I46-Y120 HydrophobicContact CG2-CD2 4.05Å; I46-Y120 HydrophobicContact CG2-CE1 3.9Å; I46-Y120 HydrophobicContact CG2-CE2 3.71Å; I46-Y120 HydrophobicContact CG2-CG 4.31Å; V103-Y120 WeakPolarHBondContact CA-O 3.48Å; L104-Y120 HydrophobicContact CB-CD2 4.4Å; L104-Y120 HydrophobicContact CD2-CD2 4.3Å; L104-Y120 HydrophobicContact CG-CD2 4.44Å; L104-Y120 PolarHBondContact N-O 2.9Å; L104-Y120 WeakPolarHBondContact O-CD2 3.36Å; L104-Y120 PolarHBondContact O-N 2.92Å; L106-Y120 HydrophobicContact CD1-CE2 3.97Å; E118-Y120 HydrophobicContact CB-CE2 3.94Å; E118-Y120 PolarHBondContact OE2-OH 3.42Å; Y120-M168 HydrophobicContact CD1-CE 4.44Å; Y120-M168 HydrophobicContact CE1-CE 3.56Å; Y120-M168 HydrophobicContact CE1-SD 3.6Å; Y120-M168 PolarHBondContact OH-SD 2.88Å; Y120-M168 VanDerWaalsContact OH-SD 3.36Å; Y120-V234 HydrophobicContact CD1-CB 4.37Å; Y120-V234 HydrophobicContact CD1-CG1 3.97Å; Y120-V234 HydrophobicContact CD1-CG2 3.62Å; Y120-V234 HydrophobicContact CE1-CG1 3.78Å; Y120-V234 HydrophobicContact CE1-CG2 4.03Å
121	Q	96.1	Very high	77.9	Confident	20 Å²	20	53.7 Å²	53.7	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.9	-179.3	-61.9	-174.5	3.7	0	0	110.7	M101 V103 M119 V232 K233	M101-Q121 HydrophobicContact SD-CB 4.19Å; M101-Q121 HydrophobicContact SD-CG 4.2Å; V103-Q121 HydrophobicContact CG1-CG 4.28Å; V103-Q121 HydrophobicContact CG2-CG 4.27Å; M119-Q121 HydrophobicContact CG-CG 4.36Å; M119-Q121 HydrophobicContact SD-CG 4.29Å; Q121-V232 WeakPolarHBondContact O-CA 3.49Å; Q121-K233 HydrophobicContact CB-CB 4.36Å; Q121-K233 PolarHBondContact N-O 2.93Å; Q121-K233 PolarHBondContact O-N 3.22Å
122	F	98	Very high	77.2	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	105.5	172.7	-59.6	-93	0	0	0	107.9	F39 I43 I46 M101 A102 F124 M230 K231 V232	F39-F122 HydrophobicContact CD2-CB 4.04Å; F39-F122 AromaticContact CD2-CD1 3.64Å; F39-F122 HydrophobicContact CD2-CD1 3.64Å; F39-F122 HydrophobicContact CD2-CD2 4.29Å; F39-F122 HydrophobicContact CD2-CE1 4.15Å; F39-F122 AromaticContact CD2-CG 3.72Å; F39-F122 HydrophobicContact CD2-CG 3.72Å; F39-F122 HydrophobicContact CE2-CB 3.8Å; F39-F122 AromaticContact CE2-CD1 3.93Å; F39-F122 HydrophobicContact CE2-CD1 3.93Å; F39-F122 AromaticContact CE2-CD2 3.71Å; F39-F122 HydrophobicContact CE2-CD2 3.71Å; F39-F122 HydrophobicContact CE2-CE1 4.46Å; F39-F122 HydrophobicContact CE2-CE2 4.26Å; F39-F122 AromaticContact CE2-CG 3.53Å; F39-F122 HydrophobicContact CE2-CG 3.53Å; I43-F122 HydrophobicContact CG1-CE2 4.27Å; I43-F122 HydrophobicContact CG1-CZ 4.16Å; I46-F122 HydrophobicContact CD1-CE2 4.36Å; I46-F122 HydrophobicContact CD1-CZ 3.75Å; M101-F122 CarbonylContact C-O 3.59Å; M101-F122 WeakPolarHBondContact CA-O 3.21Å; M101-F122 WeakPolarHBondContact CG-O 3.49Å; A102-F122 HydrophobicContact CB-CB 4.4Å; A102-F122 PolarHBondContact N-O 2.93Å; A102-F122 PolarHBondContact O-N 2.85Å; F122-F124 HydrophobicContact CB-CE2 3.83Å; F122-F124 HydrophobicContact CB-CZ 3.84Å; F122-F124 WeakPolarHBondContact O-CE2 3.33Å; F122-M230 HydrophobicContact CD1-CE 4.35Å; F122-M230 HydrophobicContact CD1-SD 4.21Å; F122-K231 WeakPolarHBondContact CA-O 3.46Å; F122-V232 HydrophobicContact CD1-CG1 4.38Å; F122-V232 HydrophobicContact CD1-CG2 3.63Å; F122-V232 HydrophobicContact CE1-CG1 4.04Å; F122-V232 HydrophobicContact CE1-CG2 3.79Å
123	K	96.5	Very high	76.3	Confident	76 Å²	76	52.5 Å²	52.5	33%	0.33	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.7	177.5	-57.3	-167.4	-178.2	-160	0	109.7	R100 M101 M230 K231	R100-K123 WeakPolarHBondContact O-CA 3.44Å; M101-K123 HydrophobicContact CE-CD 3.91Å; M101-K123 HydrophobicContact CE-CG 3.98Å; M101-K123 HydrophobicContact CG-CG 3.96Å; M101-K123 HydrophobicContact SD-CD 4.48Å; M101-K123 HydrophobicContact SD-CG 4.08Å; K123-M230 CarbonylContact O-C 3.58Å; K123-M230 WeakPolarHBondContact O-CA 3.25Å; K123-K231 HydrophobicContact CB-CB 4.34Å; K123-K231 PolarHBondContact N-O 3.19Å; K123-K231 PolarHBondContact O-N 2.81Å
124	F	96.4	Very high	75.2	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.6	-179.1	-57	-83.2	0	0	0	109.9	V35 F39 L94 L99 R100 A102 F122 Y187 S229 M230	V35-F124 HydrophobicContact CG1-CD1 3.93Å; V35-F124 HydrophobicContact CG1-CE1 3.82Å; F39-F124 HydrophobicContact CD2-CE1 4.48Å; F39-F124 AromaticContact CD2-CZ 3.69Å; F39-F124 HydrophobicContact CD2-CZ 3.69Å; F39-F124 AromaticContact CE2-CZ 3.98Å; F39-F124 HydrophobicContact CE2-CZ 3.98Å; F39-F124 HydrophobicContact CG-CZ 4.1Å; L94-F124 HydrophobicContact CD1-CE1 4.35Å; L94-F124 HydrophobicContact CD2-CB 4.29Å; L94-F124 HydrophobicContact CD2-CD1 3.54Å; L94-F124 HydrophobicContact CD2-CD2 4.2Å; L94-F124 HydrophobicContact CD2-CE1 3.81Å; L94-F124 HydrophobicContact CD2-CE2 4.45Å; L94-F124 HydrophobicContact CD2-CG 3.74Å; L94-F124 HydrophobicContact CD2-CZ 4.26Å; L99-F124 HydrophobicContact CD2-CD2 3.79Å; L99-F124 HydrophobicContact CD2-CE2 3.53Å; L99-F124 HydrophobicContact CD2-CZ 4.26Å; L99-F124 HydrophobicContact CG-CD2 3.85Å; L99-F124 HydrophobicContact CG-CE2 4.06Å; R100-F124 PolarHBondContact O-N 3.43Å; A102-F124 HydrophobicContact CB-CE2 4.26Å; F122-F124 HydrophobicContact CB-CE2 3.83Å; F122-F124 HydrophobicContact CB-CZ 3.84Å; F122-F124 WeakPolarHBondContact O-CE2 3.33Å; F124-Y187 PolarHBondContact O-OH 2.9Å; F124-S229 VanDerWaalsContact CA-O 3.31Å; F124-S229 WeakPolarHBondContact CA-O 3.49Å; F124-M230 HydrophobicContact CD1-CB 4.23Å; F124-M230 HydrophobicContact CD1-CG 3.93Å; F124-M230 HydrophobicContact CD1-SD 4.48Å; F124-M230 HydrophobicContact CE1-CB 4.25Å; F124-M230 HydrophobicContact CE1-CG 3.58Å; F124-M230 HydrophobicContact CE1-SD 3.59Å; F124-M230 VanDerWaalsContact CE1-SD 3.59Å; F124-M230 HydrophobicContact CZ-CG 4.29Å; F124-M230 HydrophobicContact CZ-SD 4.13Å
125	K	94.3	Very high	73.9	Confident	133 Å²	133	60.4 Å²	60.4	58%	0.578	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.8	168.4	-67.3	-171.2	174.7	-169.1	0	109	H228 S229	K125-H228 WeakPolarHBondContact O-CA 3.37Å; K125-S229 PolarHBondContact N-O 2.87Å; K125-S229 PolarHBondContact O-N 3.31Å
126	Y	91.5	Very high	72.1	Confident	37 Å²	37	64.3 Å²	64.3	15%	0.145	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.3	178.8	-48.7	-85.9	0	0	0	108.9	L94 R97 L99 Y187 H228	L94-Y126 HydrophobicContact CD2-CE1 4.44Å; L94-Y126 WeakPolarHBondContact CD2-OH 3.38Å; R97-Y126 HydrophobicContact CB-CD1 3.86Å; R97-Y126 HydrophobicContact CB-CD2 4Å; R97-Y126 HydrophobicContact CB-CE1 3.96Å; R97-Y126 HydrophobicContact CB-CE2 4.08Å; R97-Y126 HydrophobicContact CB-CG 3.91Å; R97-Y126 HydrophobicContact CG-CD1 3.7Å; R97-Y126 HydrophobicContact CG-CE1 4.01Å; R97-Y126 HydrophobicContact CG-CG 4.08Å; R97-Y126 WeakPolarHBondContact O-CE2 3.39Å; L99-Y126 PolarHBondContact N-OH 3.42Å; L99-Y126 VanDerWaalsContact O-CE2 3.22Å; L99-Y126 WeakPolarHBondContact O-CE2 3.34Å; L99-Y126 PolarHBondContact O-OH 3.27Å; Y126-Y187 HydrophobicContact CD2-CD2 4.22Å; Y126-Y187 AromaticContact CD2-CE2 3.74Å; Y126-Y187 HydrophobicContact CD2-CE2 3.74Å; Y126-Y187 AromaticContact CE2-CD2 3.86Å; Y126-Y187 HydrophobicContact CE2-CD2 3.86Å; Y126-Y187 AromaticContact CE2-CE2 3.52Å; Y126-Y187 HydrophobicContact CE2-CE2 3.52Å; Y126-H228 AromaticContact CD1-CD2 3.36Å; Y126-H228 WeakPolarHBondContact CD1-CD2 3.33Å; Y126-H228 AromaticContact CD1-NE2 3.73Å; Y126-H228 AromaticContact CE1-CD2 3.64Å
127	T	85.9	Confident	69.9	Low	38 Å²	38	68.2 Å²	68.2	23%	0.233	35%	0.351	C	S	.	.			trans	-90.2	132.1	176.9	-42.7	0	0	0	0	109.3	G130 T132 G226 F227	T127-G130 VanDerWaalsContact CG2-O 3.28Å; T127-G130 WeakPolarHBondContact CG2-O 3.43Å; T127-T132 HydrophobicContact CG2-CG2 4.32Å; T127-G226 VanDerWaalsContact CB-O 3.26Å; T127-G226 WeakPolarHBondContact CB-O 3.34Å; T127-G226 PolarHBondContact OG1-O 2.94Å; T127-F227 PolarHBondContact N-O 2.93Å
128	K	67.4	Low	67.6	Low	181 Å²	181	76.8 Å²	76.8	79%	0.787	39%	0.39	S	S	*	.	S	Bend	trans	-78.5	-33.6	-178.9	-71.7	-177.6	-179	174.5	0	112.2
129	E	57.4	Low	64.9	Low	145 Å²	145	82.2 Å²	82.2	68%	0.678	43%	0.428	S	S	*	.	S	Bend	trans	-89.8	9.4	-176.7	-61.6	79.3	-159	0	0	114.6	T132	E129-T132 HydrophobicContact CB-CG2 3.62Å; E129-T132 HydrophobicContact CG-CG2 4.44Å
130	G	54.3	Low	62.1	Low	13 Å²	13	86.8 Å²	86.8	13%	0.134	46%	0.46	C	S	.	.	S	Bend	trans	68.4	-158.3	-170.1	0	0	0	0	0	111.8	T127 T132 G226	T127-G130 VanDerWaalsContact CG2-O 3.28Å; T127-G130 WeakPolarHBondContact CG2-O 3.43Å; G130-T132 PolarHBondContact O-N 3.37Å; G130-G226 CarbonylContact C-O 3.52Å
131	A	50.3	Low	59.5	Low	47 Å²	47	92.4 Å²	92.4	39%	0.388	50%	0.5	S	S	.	.	S	Bend	trans	-63.6	98.2	172.7	0	0	0	0	0	109.4	M133	A131-M133 PolarHBondContact O-N 2.79Å; A131-M133 VanDerWaalsContact O-N 3.12Å
132	T	40.8	Very low	56.4	Low	98 Å²	98	97 Å²	97	60%	0.601	53%	0.529	S	S	*	.			trans	-64.5	112.1	-179.2	44.9	0	0	0	0	110.2	T127 E129 G130 D134	T127-T132 HydrophobicContact CG2-CG2 4.32Å; E129-T132 HydrophobicContact CB-CG2 3.62Å; E129-T132 HydrophobicContact CG-CG2 4.44Å; G130-T132 PolarHBondContact O-N 3.37Å; T132-D134 PolarHBondContact O-N 2.8Å
133	M	40.1	Very low	53.6	Low	93 Å²	93	103 Å²	103	46%	0.458	57%	0.571	S	S	.	*			trans	-79.8	105.9	164.7	-69.7	-91.3	-69.8	0	0	107.4	A131 F135 S146	A131-M133 PolarHBondContact O-N 2.79Å; A131-M133 VanDerWaalsContact O-N 3.12Å; M133-F135 HydrophobicContact CB-CD2 4.03Å; M133-F135 HydrophobicContact CB-CE2 4.4Å; M133-F135 HydrophobicContact CE-CD2 4.12Å; M133-F135 HydrophobicContact CE-CE2 3.44Å; M133-F135 VanDerWaalsContact CE-CE2 3.44Å; M133-F135 HydrophobicContact CE-CZ 4.13Å; M133-F135 PolarHBondContact O-N 3.34Å; M133-S146 VanDerWaalsContact CE-OG 3.26Å; M133-S146 WeakPolarHBondContact CE-OG 3.4Å; M133-S146 WeakPolarHBondContact SD-CB 3.39Å; M133-S146 PolarHBondContact SD-OG 2.79Å
134	D	34.2	Very low	50.5	Low	150 Å²	150	108 Å²	108	80%	0.802	59%	0.593	S	S	*	*			trans	-72.9	113.6	169.4	-159.3	4.3	0	0	0	108.1	T132	T132-D134 PolarHBondContact O-N 2.8Å
135	F	36.8	Very low	47.6	Very low	148 Å²	148	116.5 Å²	116.5	65%	0.649	63%	0.633	S	S	*	*			trans	-106.8	38.9	-171	-118.5	-72.7	0	0	0	111.3	M133 S137	M133-F135 HydrophobicContact CB-CD2 4.03Å; M133-F135 HydrophobicContact CB-CE2 4.4Å; M133-F135 HydrophobicContact CE-CD2 4.12Å; M133-F135 HydrophobicContact CE-CE2 3.44Å; M133-F135 VanDerWaalsContact CE-CE2 3.44Å; M133-F135 HydrophobicContact CE-CZ 4.13Å; M133-F135 PolarHBondContact O-N 3.34Å; F135-S137 VanDerWaalsContact C-N 3.32Å; F135-S137 PolarHBondContact O-N 2.96Å
136	D	34.6	Very low	44.9	Very low	156 Å²	156	114.1 Å²	114.1	83%	0.834	63%	0.633	S	S	*	*			trans	-78.4	89.2	170.3	-87.5	-8.3	0	0	0	110.7
137	S	33.4	Very low	42.7	Very low	82 Å²	82	114.8 Å²	114.8	57%	0.573	65%	0.652	S	S	*	*			trans	-76.3	114.4	173.9	-57.8	0	0	0	0	109.8	F135	F135-S137 VanDerWaalsContact C-N 3.32Å; F135-S137 PolarHBondContact O-N 2.96Å
138	H	33.6	Very low	41.4	Very low	187 Å²	187	116.8 Å²	116.8	87%	0.866	66%	0.664	S	S	*	*			trans	-171.7	82	135.7	-84.8	-51	0	0	0	110.6
139	S	33.8	Very low	41.9	Very low	113 Å²	113	111.2 Å²	111.2	79%	0.79	64%	0.642	S	S	*	*	S	Bend	trans	170.1	128.5	132	46	0	0	0	0	112.3
140	S	32.8	Very low	43.3	Very low	101 Å²	101	106.7 Å²	106.7	71%	0.706	62%	0.623	S	S	*	*			trans	55.6	97.5	159.4	53.4	0	0	0	0	119.5	T142	S140-T142 PolarHBondContact O-N 3.49Å; S140-T142 VanDerWaalsContact O-N 3.15Å
141	S	41.6	Very low	44.9	Very low	119 Å²	119	111.6 Å²	111.6	83%	0.832	64%	0.642	S	S	*	*			trans	6.1	90.1	135.4	60.1	0	0	0	0	118
142	T	31.5	Very low	46.8	Very low	115 Å²	115	113 Å²	113	71%	0.706	64%	0.643	S	S	*	*			trans	-139	125.9	134.2	51.9	0	0	0	0	106.7	S140 F144	S140-T142 PolarHBondContact O-N 3.49Å; S140-T142 VanDerWaalsContact O-N 3.15Å; T142-F144 VanDerWaalsContact C-N 3.3Å; T142-F144 PolarHBondContact O-N 3.03Å
143	S	37.6	Very low	49.2	Very low	127 Å²	127	108.6 Å²	108.6	89%	0.888	62%	0.616	S	S	*	*			trans	-66.1	92.2	172	50.2	0	0	0	0	108.4
144	F	32.3	Very low	51.6	Low	181 Å²	181	108.4 Å²	108.4	79%	0.794	61%	0.613	S	S	*	*			trans	-106.3	124.5	171.1	-118.9	-94.1	0	0	0	108.6	T142 S146	T142-F144 VanDerWaalsContact C-N 3.3Å; T142-F144 PolarHBondContact O-N 3.03Å; F144-S146 PolarHBondContact O-N 2.79Å
145	E	34.9	Very low	54.3	Low	183 Å²	183	107 Å²	107	86%	0.855	60%	0.599	S	S	*	*			trans	-52.8	127.8	-175.4	-63.8	-180	147.2	0	0	111.4
146	S	38.7	Very low	57	Low	83 Å²	83	101.5 Å²	101.5	58%	0.58	58%	0.582	S	S	*	*			trans	-101	121.5	-172.7	69.5	0	0	0	0	110.6	M133 F144	M133-S146 VanDerWaalsContact CE-OG 3.26Å; M133-S146 WeakPolarHBondContact CE-OG 3.4Å; M133-S146 WeakPolarHBondContact SD-CB 3.39Å; M133-S146 PolarHBondContact SD-OG 2.79Å; F144-S146 PolarHBondContact O-N 2.79Å
147	G	45.8	Very low	59.8	Low	51 Å²	51	94.1 Å²	94.1	53%	0.526	54%	0.542	S	S	.	.	S	Bend	trans	131.9	133	-178.6	0	0	0	0	0	109.2	N149	G147-N149 PolarHBondContact O-N 3.09Å
148	T	56.8	Low	62.7	Low	80 Å²	80	90.4 Å²	90.4	49%	0.491	52%	0.516	S	S	.	.			trans	-44.8	116.8	175.5	-48.2	0	0	0	0	109.2	N150 I153	T148-N150 PolarHBondContact O-N 2.94Å; T148-I153 HydrophobicContact CG2-CD1 4.25Å; T148-I153 HydrophobicContact CG2-CG1 3.75Å
149	N	79.6	Confident	65.5	Low	63 Å²	63	84.5 Å²	84.5	34%	0.337	49%	0.49	S	S	.	.			trans	-58	129.3	-171.8	179.5	-8.8	0	0	0	108.7	G147 E151 D152 I153	G147-N149 PolarHBondContact O-N 3.09Å; N149-E151 PolarHBondContact O-N 3.38Å; N149-E151 VanDerWaalsContact O-N 3.09Å; N149-E151 WeakPolarHBondContact OD1-CB 3.35Å; N149-E151 WeakPolarHBondContact OD1-CG 3.45Å; N149-E151 PolarHBondContact OD1-N 2.92Å; N149-D152 HydrophobicContact CB-CB 4.25Å; N149-D152 WeakPolarHBondContact CB-OD2 3.18Å; N149-D152 WeakPolarHBondContact O-CA 3.47Å; N149-D152 WeakPolarHBondContact O-CB 3.5Å; N149-D152 PolarHBondContact O-N 3.09Å; N149-I153 PolarHBondContact O-N 2.8Å
150	N	86.4	Confident	68.5	Low	50 Å²	50	79.2 Å²	79.2	27%	0.267	45%	0.453	S	S	.	.	H	α-helix	trans	-52.4	-33.2	177	-78.2	-65	0	0	0	111.9	I25 T148 I153 K154	I25-N150 WeakPolarHBondContact CB-OD1 3.17Å; I25-N150 PolarHBondContact N-OD1 2.54Å; T148-N150 PolarHBondContact O-N 2.94Å; N150-I153 PolarHBondContact O-N 2.73Å; N150-K154 WeakPolarHBondContact O-CB 3.46Å; N150-K154 PolarHBondContact O-N 2.87Å
151	E	86.9	Confident	71.5	Confident	116 Å²	116	74.4 Å²	74.4	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-62.9	-40.8	172.7	-62.6	-171.1	169.3	0	0	112.4	N149 K154 K155	N149-E151 PolarHBondContact O-N 3.38Å; N149-E151 VanDerWaalsContact O-N 3.09Å; N149-E151 WeakPolarHBondContact OD1-CB 3.35Å; N149-E151 WeakPolarHBondContact OD1-CG 3.45Å; N149-E151 PolarHBondContact OD1-N 2.92Å; E151-K154 PolarHBondContact O-N 2.81Å; E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 WeakPolarHBondContact O-CG 3.44Å; E151-K155 PolarHBondContact O-N 2.88Å; E151-K155 IonicContact OE2-NZ 3.83Å
152	D	89.9	Confident	74	Confident	77 Å²	77	73.1 Å²	73.1	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-70.6	-38.6	179.6	-63.8	-19.9	0	0	0	111	N149 K154 K155 A156	N149-D152 HydrophobicContact CB-CB 4.25Å; N149-D152 WeakPolarHBondContact CB-OD2 3.18Å; N149-D152 WeakPolarHBondContact O-CA 3.47Å; N149-D152 WeakPolarHBondContact O-CB 3.5Å; N149-D152 PolarHBondContact O-N 3.09Å; D152-K154 VanDerWaalsContact C-N 3.33Å; D152-K154 PolarHBondContact O-N 3.12Å; D152-K155 PolarHBondContact O-N 3.26Å; D152-K155 IonicContact OD1-NZ 2.66Å; D152-A156 VanDerWaalsContact O-CB 3.24Å; D152-A156 WeakPolarHBondContact O-CB 3.12Å; D152-A156 PolarHBondContact O-N 2.82Å
153	I	91.3	Very high	76.9	Confident	5 Å²	5	69 Å²	69	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-46.4	172.2	-58	172	0	0	0	110	I25 M34 T148 N149 N150 A156 S157 V223 T225	I25-I153 HydrophobicContact CD1-CB 4.38Å; I25-I153 HydrophobicContact CD1-CD1 3.94Å; I25-I153 HydrophobicContact CD1-CG2 3.7Å; M34-I153 HydrophobicContact CE-CG2 4.29Å; M34-I153 HydrophobicContact CG-CG2 4.49Å; T148-I153 HydrophobicContact CG2-CD1 4.25Å; T148-I153 HydrophobicContact CG2-CG1 3.75Å; N149-I153 PolarHBondContact O-N 2.8Å; N150-I153 PolarHBondContact O-N 2.73Å; I153-A156 PolarHBondContact O-N 2.95Å; I153-S157 WeakPolarHBondContact O-CB 3.32Å; I153-S157 PolarHBondContact O-N 2.84Å; I153-S157 PolarHBondContact O-OG 3.48Å; I153-V223 HydrophobicContact CG2-CG1 3.98Å; I153-T225 HydrophobicContact CG2-CG2 4.04Å
154	K	90.7	Very high	79.6	Confident	89 Å²	89	62.9 Å²	62.9	39%	0.387	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-48.2	177.5	-171.2	-172.2	172.8	-154.1	0	110.8	D64 N150 E151 D152 A156 S157 V158	D64-K154 IonicContact OD1-NZ 3.33Å; D64-K154 PolarHBondContact OD1-NZ 2.92Å; D64-K154 IonicContact OD2-NZ 3.27Å; N150-K154 WeakPolarHBondContact O-CB 3.46Å; N150-K154 PolarHBondContact O-N 2.87Å; E151-K154 PolarHBondContact O-N 2.81Å; D152-K154 VanDerWaalsContact C-N 3.33Å; D152-K154 PolarHBondContact O-N 3.12Å; K154-A156 PolarHBondContact O-N 2.93Å; K154-S157 WeakPolarHBondContact O-CB 3.36Å; K154-S157 PolarHBondContact O-N 3.14Å; K154-V158 HydrophobicContact CG-CG2 4.43Å; K154-V158 VanDerWaalsContact O-CG2 3.29Å; K154-V158 WeakPolarHBondContact O-CG2 3.44Å; K154-V158 PolarHBondContact O-N 2.95Å
155	K	91.2	Very high	82.4	Confident	120 Å²	120	57.3 Å²	57.3	52%	0.522	30%	0.301	S	S	.	.	H	α-helix	trans	-58.4	-47.9	177.7	-74.5	167.3	-165.7	159.4	0	111.3	E151 D152 S157 V158 L159	E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 WeakPolarHBondContact O-CG 3.44Å; E151-K155 PolarHBondContact O-N 2.88Å; E151-K155 IonicContact OE2-NZ 3.83Å; D152-K155 PolarHBondContact O-N 3.26Å; D152-K155 IonicContact OD1-NZ 2.66Å; K155-S157 VanDerWaalsContact C-N 3.26Å; K155-S157 PolarHBondContact O-N 2.96Å; K155-V158 PolarHBondContact O-N 3.3Å; K155-L159 VanDerWaalsContact O-CB 3.28Å; K155-L159 WeakPolarHBondContact O-CB 3.45Å; K155-L159 PolarHBondContact O-N 3.49Å
156	A	93.3	Very high	85	Confident	34 Å²	34	52.4 Å²	52.4	28%	0.281	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-37.8	177.8	0	0	0	0	0	111.9	D152 I153 K154 L160 V223	D152-A156 VanDerWaalsContact O-CB 3.24Å; D152-A156 WeakPolarHBondContact O-CB 3.12Å; D152-A156 PolarHBondContact O-N 2.82Å; I153-A156 PolarHBondContact O-N 2.95Å; K154-A156 PolarHBondContact O-N 2.93Å; A156-L160 WeakPolarHBondContact O-CB 3.41Å; A156-L160 PolarHBondContact O-N 3.05Å; A156-V223 HydrophobicContact CB-CG2 4.1Å
157	S	94.1	Very high	87.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-44.6	177.8	-57.9	0	0	0	0	112.4	M34 I153 K154 K155 L159 L160 I161 V223	M34-S157 WeakPolarHBondContact CE-OG 3.39Å; I153-S157 WeakPolarHBondContact O-CB 3.32Å; I153-S157 PolarHBondContact O-N 2.84Å; I153-S157 PolarHBondContact O-OG 3.48Å; K154-S157 WeakPolarHBondContact O-CB 3.36Å; K154-S157 PolarHBondContact O-N 3.14Å; K155-S157 VanDerWaalsContact C-N 3.26Å; K155-S157 PolarHBondContact O-N 2.96Å; S157-L159 VanDerWaalsContact C-N 3.33Å; S157-L160 PolarHBondContact O-N 3.04Å; S157-I161 WeakPolarHBondContact O-CG1 3.45Å; S157-I161 PolarHBondContact O-N 3Å; S157-I161 VanDerWaalsContact O-N 3.08Å; S157-V223 WeakPolarHBondContact OG-CG1 3.45Å
158	V	93.3	Very high	89.6	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-44.8	173.6	173.6	0	0	0	0	110.4	L63 K154 K155 L160 I161 R162	L63-V158 HydrophobicContact CD1-CG2 3.85Å; L63-V158 HydrophobicContact CD2-CG2 4Å; L63-V158 HydrophobicContact CG-CG2 3.94Å; K154-V158 HydrophobicContact CG-CG2 4.43Å; K154-V158 VanDerWaalsContact O-CG2 3.29Å; K154-V158 WeakPolarHBondContact O-CG2 3.44Å; K154-V158 PolarHBondContact O-N 2.95Å; K155-V158 PolarHBondContact O-N 3.3Å; V158-L160 PolarHBondContact O-N 3.28Å; V158-I161 PolarHBondContact O-N 3.48Å; V158-R162 HydrophobicContact CG1-CG 4.43Å; V158-R162 WeakPolarHBondContact O-CG 3.33Å; V158-R162 PolarHBondContact O-N 3.19Å
159	L	94	Very high	91	Very high	62 Å²	62	48 Å²	48	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-42.4	178.4	-174.7	63.9	0	0	0	111.6	K155 S157 I161 R162 K163	K155-L159 VanDerWaalsContact O-CB 3.28Å; K155-L159 WeakPolarHBondContact O-CB 3.45Å; K155-L159 PolarHBondContact O-N 3.49Å; S157-L159 VanDerWaalsContact C-N 3.33Å; L159-I161 PolarHBondContact O-N 2.86Å; L159-R162 PolarHBondContact O-N 3.31Å; L159-K163 HydrophobicContact CD1-CG 4.43Å; L159-K163 HydrophobicContact CG-CD 4.27Å; L159-K163 HydrophobicContact CG-CG 4.48Å; L159-K163 WeakPolarHBondContact O-CB 3.47Å; L159-K163 WeakPolarHBondContact O-CG 3.39Å; L159-K163 PolarHBondContact O-N 3.33Å
160	L	95.6	Very high	91.2	Very high	2 Å²	2	49 Å²	49	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-46.9	175.3	-174.3	158.8	0	0	0	111.2	L38 A156 S157 V158 K163 L164 V223 M230 V232	L38-L160 HydrophobicContact CD1-CD2 4.48Å; L38-L160 HydrophobicContact CD2-CD1 4.5Å; A156-L160 WeakPolarHBondContact O-CB 3.41Å; A156-L160 PolarHBondContact O-N 3.05Å; S157-L160 PolarHBondContact O-N 3.04Å; V158-L160 PolarHBondContact O-N 3.28Å; L160-K163 PolarHBondContact O-N 2.88Å; L160-L164 HydrophobicContact CD2-CD1 3.77Å; L160-L164 HydrophobicContact CD2-CG 4.26Å; L160-L164 PolarHBondContact O-N 3.08Å; L160-V223 HydrophobicContact CD1-CG2 4Å; L160-M230 HydrophobicContact CD1-CE 4.37Å; L160-V232 HydrophobicContact CD1-CB 4.43Å; L160-V232 HydrophobicContact CD1-CG2 3.91Å; L160-V232 HydrophobicContact CD2-CG2 4.19Å; L160-V232 HydrophobicContact CG-CG2 4.47Å
161	I	95.9	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-41.2	178.1	-64.4	-55.5	0	0	0	111.5	F21 L38 T41 S42 L63 L68 S157 V158 L159 L164 Y165	F21-I161 HydrophobicContact CZ-CG1 4.33Å; L38-I161 HydrophobicContact CD1-CD1 4.01Å; L38-I161 HydrophobicContact CD1-CG1 4.07Å; T41-I161 HydrophobicContact CG2-CD1 3.76Å; T41-I161 HydrophobicContact CG2-CG1 4.15Å; S42-I161 WeakPolarHBondContact OG-CD1 3.36Å; L63-I161 HydrophobicContact CD2-CB 4.33Å; L63-I161 HydrophobicContact CD2-CG1 4.36Å; L63-I161 HydrophobicContact CD2-CG2 4.37Å; L68-I161 HydrophobicContact CD1-CG2 4.28Å; L68-I161 HydrophobicContact CD2-CG2 3.73Å; S157-I161 WeakPolarHBondContact O-CG1 3.45Å; S157-I161 PolarHBondContact O-N 3Å; S157-I161 VanDerWaalsContact O-N 3.08Å; V158-I161 PolarHBondContact O-N 3.48Å; L159-I161 PolarHBondContact O-N 2.86Å; I161-L164 HydrophobicContact CD1-CD1 4.4Å; I161-L164 WeakPolarHBondContact O-CB 3.41Å; I161-L164 PolarHBondContact O-N 3.48Å; I161-Y165 WeakPolarHBondContact O-CB 3.44Å; I161-Y165 PolarHBondContact O-N 3.2Å
162	R	93.9	Very high	91.1	Very high	92 Å²	92	46.1 Å²	46.1	35%	0.347	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-45.5	175.1	-75.7	179.3	179	160.2	-1.5	112.1	D65 L66 V158 L159 L164 Y165 I166	D65-R162 IonicContact OD1-CZ 2.88Å; D65-R162 IonicContact OD1-NE 3.52Å; D65-R162 IonicContact OD1-NH2 3.94Å; D65-R162 PolarHBondContact OD1-NH2 3.36Å; D65-R162 IonicContact OD2-NH2 3.67Å; L66-R162 HydrophobicContact CD1-CG 3.56Å; L66-R162 HydrophobicContact CD2-CG 3.96Å; L66-R162 HydrophobicContact CG-CG 4.43Å; V158-R162 HydrophobicContact CG1-CG 4.43Å; V158-R162 WeakPolarHBondContact O-CG 3.33Å; V158-R162 PolarHBondContact O-N 3.19Å; L159-R162 PolarHBondContact O-N 3.31Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 3.25Å; R162-Y165 WeakPolarHBondContact O-CB 3.38Å; R162-Y165 PolarHBondContact O-N 2.91Å; R162-Y165 VanDerWaalsContact O-N 3.08Å; R162-I166 WeakPolarHBondContact O-CG1 3.47Å; R162-I166 PolarHBondContact O-N 3.02Å
163	K	93.4	Very high	90.9	Very high	28 Å²	28	48.2 Å²	48.2	12%	0.122	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-39.5	176.8	-73.2	-177.4	176.6	-170.8	0	111.5	L159 L160 Y165 L167 V220 L248	L159-K163 HydrophobicContact CD1-CG 4.43Å; L159-K163 HydrophobicContact CG-CD 4.27Å; L159-K163 HydrophobicContact CG-CG 4.48Å; L159-K163 WeakPolarHBondContact O-CB 3.47Å; L159-K163 WeakPolarHBondContact O-CG 3.39Å; L159-K163 PolarHBondContact O-N 3.33Å; L160-K163 PolarHBondContact O-N 2.88Å; K163-Y165 VanDerWaalsContact C-N 3.34Å; K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 PolarHBondContact O-N 2.81Å; K163-V220 HydrophobicContact CB-CG1 3.68Å; K163-V220 WeakPolarHBondContact CD-O 3.42Å; K163-L248 HydrophobicContact CG-CD2 4.33Å
164	L	93.4	Very high	90.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-45.6	170.1	-80.7	176.6	0	0	0	111.3	S42 I46 L160 I161 R162 L167 M168 V220 V232 V234	S42-L164 WeakPolarHBondContact OG-CD1 3.17Å; I46-L164 HydrophobicContact CD1-CD2 4.47Å; I46-L164 HydrophobicContact CG1-CD2 4.44Å; L160-L164 HydrophobicContact CD2-CD1 3.77Å; L160-L164 HydrophobicContact CD2-CG 4.26Å; L160-L164 PolarHBondContact O-N 3.08Å; I161-L164 HydrophobicContact CD1-CD1 4.4Å; I161-L164 WeakPolarHBondContact O-CB 3.41Å; I161-L164 PolarHBondContact O-N 3.48Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 3.25Å; L164-L167 PolarHBondContact O-N 3.37Å; L164-M168 HydrophobicContact CD2-CE 4.3Å; L164-M168 WeakPolarHBondContact O-CB 3.37Å; L164-M168 VanDerWaalsContact O-CG 3.25Å; L164-M168 WeakPolarHBondContact O-CG 3.48Å; L164-M168 PolarHBondContact O-N 3.35Å; L164-V220 HydrophobicContact CB-CG1 4.49Å; L164-V220 HydrophobicContact CD2-CB 4.41Å; L164-V220 HydrophobicContact CD2-CG1 3.87Å; L164-V220 HydrophobicContact CD2-CG2 4.2Å; L164-V220 HydrophobicContact CG-CG1 3.79Å; L164-V232 HydrophobicContact CD2-CG1 4.24Å; L164-V234 HydrophobicContact CD2-CG2 4.38Å
165	Y	90.9	Very high	90.4	Very high	64 Å²	64	47.9 Å²	47.9	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-50.6	-177.4	-156.5	-81.3	0	0	0	111.7	L49 L66 I161 R162 K163 M168 Q169	L49-Y165 HydrophobicContact CD1-CD1 4.31Å; L49-Y165 HydrophobicContact CD1-CD2 3.64Å; L49-Y165 HydrophobicContact CD1-CE2 3.98Å; L49-Y165 HydrophobicContact CD1-CG 3.8Å; L49-Y165 HydrophobicContact CD2-CD2 4.41Å; L49-Y165 HydrophobicContact CD2-CE1 4.26Å; L49-Y165 HydrophobicContact CD2-CE2 3.91Å; L49-Y165 HydrophobicContact CG-CD2 4.47Å; L49-Y165 HydrophobicContact CG-CE2 4.35Å; L66-Y165 HydrophobicContact CD2-CD2 4.45Å; I161-Y165 WeakPolarHBondContact O-CB 3.44Å; I161-Y165 PolarHBondContact O-N 3.2Å; R162-Y165 WeakPolarHBondContact O-CB 3.38Å; R162-Y165 PolarHBondContact O-N 2.91Å; R162-Y165 VanDerWaalsContact O-N 3.08Å; K163-Y165 VanDerWaalsContact C-N 3.34Å; Y165-M168 PolarHBondContact O-N 2.83Å; Y165-Q169 HydrophobicContact CD1-CG 4.28Å; Y165-Q169 HydrophobicContact CE1-CG 4.32Å; Y165-Q169 VanDerWaalsContact CE1-NE2 3.29Å; Y165-Q169 VanDerWaalsContact O-CG 3.3Å; Y165-Q169 WeakPolarHBondContact O-CG 3.43Å; Y165-Q169 PolarHBondContact O-N 2.63Å
166	I	90.1	Very high	89.7	Confident	80 Å²	80	49.9 Å²	49.9	41%	0.41	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-49.9	176.9	-65.3	166.6	0	0	0	110	R162 M168 Q169 D170	R162-I166 WeakPolarHBondContact O-CG1 3.47Å; R162-I166 PolarHBondContact O-N 3.02Å; I166-M168 VanDerWaalsContact C-N 3.34Å; I166-M168 PolarHBondContact O-N 3.31Å; I166-Q169 WeakPolarHBondContact O-CB 3.5Å; I166-Q169 PolarHBondContact O-N 2.76Å; I166-Q169 VanDerWaalsContact O-N 3.09Å; I166-D170 PolarHBondContact O-N 3.49Å
167	L	90.3	Very high	89.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-55.4	-48.8	179.9	177.2	57.9	0	0	0	111.7	K163 L164 Q169 D170 L171 V218 V220 V234 L244	K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 PolarHBondContact O-N 2.81Å; L164-L167 PolarHBondContact O-N 3.37Å; L167-Q169 VanDerWaalsContact C-N 3.25Å; L167-Q169 PolarHBondContact O-N 3.36Å; L167-D170 PolarHBondContact O-N 3.48Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.06Å; L167-V218 HydrophobicContact CD2-CG1 4.49Å; L167-V220 HydrophobicContact CD2-CG2 3.65Å; L167-V234 HydrophobicContact CD2-CB 3.78Å; L167-V234 HydrophobicContact CD2-CG1 4.04Å; L167-V234 HydrophobicContact CD2-CG2 3.74Å; L167-L244 HydrophobicContact CD1-CD1 3.65Å; L167-L244 HydrophobicContact CD1-CD2 3.2Å; L167-L244 HydrophobicContact CD1-CG 4.04Å
168	M	89.9	Confident	88.9	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-28.8	-178.1	-66.7	-47.8	101.5	0	0	112.7	I46 L49 R50 Y120 L164 Y165 I166 L171 V234	I46-M168 HydrophobicContact CG1-SD 4.23Å; I46-M168 HydrophobicContact CG2-SD 4.47Å; L49-M168 HydrophobicContact CB-CB 3.58Å; L49-M168 HydrophobicContact CB-CG 4.09Å; L49-M168 HydrophobicContact CD1-CB 3.62Å; L49-M168 HydrophobicContact CD1-CG 4.02Å; L49-M168 HydrophobicContact CG-CB 4.25Å; R50-M168 HydrophobicContact CG-SD 4.23Å; Y120-M168 HydrophobicContact CD1-CE 4.44Å; Y120-M168 HydrophobicContact CE1-CE 3.56Å; Y120-M168 HydrophobicContact CE1-SD 3.6Å; Y120-M168 PolarHBondContact OH-SD 2.88Å; Y120-M168 VanDerWaalsContact OH-SD 3.36Å; L164-M168 HydrophobicContact CD2-CE 4.3Å; L164-M168 WeakPolarHBondContact O-CB 3.37Å; L164-M168 VanDerWaalsContact O-CG 3.25Å; L164-M168 WeakPolarHBondContact O-CG 3.48Å; L164-M168 PolarHBondContact O-N 3.35Å; Y165-M168 PolarHBondContact O-N 2.83Å; I166-M168 VanDerWaalsContact C-N 3.34Å; I166-M168 PolarHBondContact O-N 3.31Å; M168-L171 HydrophobicContact CE-CD1 4.07Å; M168-L171 HydrophobicContact SD-CD1 3.98Å; M168-V234 HydrophobicContact CE-CG2 4.44Å
169	Q	85.9	Confident	88.7	Confident	118 Å²	118	58.6 Å²	58.6	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-73.3	-31.4	175.7	-72.5	-179	-45.6	0	0	112.5	Y165 I166 L167	Y165-Q169 HydrophobicContact CD1-CG 4.28Å; Y165-Q169 HydrophobicContact CE1-CG 4.32Å; Y165-Q169 VanDerWaalsContact CE1-NE2 3.29Å; Y165-Q169 VanDerWaalsContact O-CG 3.3Å; Y165-Q169 WeakPolarHBondContact O-CG 3.43Å; Y165-Q169 PolarHBondContact O-N 2.63Å; I166-Q169 WeakPolarHBondContact O-CB 3.5Å; I166-Q169 PolarHBondContact O-N 2.76Å; I166-Q169 VanDerWaalsContact O-N 3.09Å; L167-Q169 VanDerWaalsContact C-N 3.25Å; L167-Q169 PolarHBondContact O-N 3.36Å
170	D	85	Confident	88.6	Confident	82 Å²	82	57.2 Å²	57.2	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-81.4	-16.8	178.9	-65.5	-19.9	0	0	0	112.7	I166 L167	I166-D170 PolarHBondContact O-N 3.49Å; L167-D170 PolarHBondContact O-N 3.48Å
171	L	86.3	Confident	88.4	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.052	31%	0.307	C	S	.	.	S	Bend	trans	-71.2	136.6	175.5	-65.7	-177.2	0	0	0	111.4	E118 L167 M168 T236 V241	E118-L171 HydrophobicContact CG-CD1 4.38Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.06Å; M168-L171 HydrophobicContact CE-CD1 4.07Å; M168-L171 HydrophobicContact SD-CD1 3.98Å; L171-T236 HydrophobicContact CD2-CG2 3.91Å; L171-V241 HydrophobicContact CD2-CG2 3.71Å
172	E	85.1	Confident	88.4	Confident	96 Å²	96	59.4 Å²	59.4	45%	0.449	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-51.7	151.2	170.6	-70	-176.1	177	0	0	112.2	R50 K240	R50-E172 PolarHBondContact NH1-O 3.08Å; R50-E172 PolarHBondContact NH2-O 3.41Å; E172-K240 HydrophobicContact CB-CB 4.37Å; E172-K240 HydrophobicContact CB-CG 4.35Å; E172-K240 HydrophobicContact CG-CB 4.12Å; E172-K240 HydrophobicContact CG-CG 4.27Å
173	P	85.6	Confident	88.4	Confident	121 Å²	121	57 Å²	57	79%	0.786	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-54.3	143.2	174.9	-26.1	35	0	0	0	112.8
174	L	86.8	Confident	88.5	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.152	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-63.7	147.5	174.2	-73.1	178	0	0	0	111.1	R50 L52 L106 T117 E118 V178	R50-L174 HydrophobicContact CB-CD1 3.86Å; R50-L174 VanDerWaalsContact CZ-CG 3.48Å; L52-L174 HydrophobicContact CD2-CD1 3.48Å; L52-L174 VanDerWaalsContact CD2-CD1 3.48Å; L106-L174 HydrophobicContact CD1-CD1 3.91Å; L106-L174 HydrophobicContact CD1-CD2 3.91Å; L106-L174 HydrophobicContact CD2-CD1 4.3Å; T117-L174 HydrophobicContact CG2-CD2 4.16Å; E118-L174 VanDerWaalsContact OE1-CD2 3.29Å; E118-L174 WeakPolarHBondContact OE1-CD2 3.36Å; L174-V178 HydrophobicContact CB-CG1 4.1Å; L174-V178 HydrophobicContact CD1-CG1 4.32Å; L174-V178 HydrophobicContact CD1-CG2 4.16Å; L174-V178 HydrophobicContact CD2-CG1 4.27Å; L174-V178 HydrophobicContact CG-CG1 4.47Å
175	P	83.6	Confident	88.5	Confident	58 Å²	58	59 Å²	59	38%	0.377	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-56.5	154.4	166.4	-23.7	35.1	0	0	0	111.8	T108 N177	T108-P175 HydrophobicContact CG2-CB 3.71Å; T108-P175 HydrophobicContact CG2-CG 3.64Å; P175-N177 PolarHBondContact O-N 2.57Å; P175-N177 VanDerWaalsContact O-N 3.1Å
176	N	78.4	Confident	88.6	Confident	162 Å²	162	58.4 Å²	58.4	87%	0.866	31%	0.311	S	S	*	.	S	Bend	trans	-58.9	-29	-175.3	-66.4	-16.7	0	0	0	114.5
177	N	83.2	Confident	88.7	Confident	134 Å²	134	57.9 Å²	57.9	72%	0.717	30%	0.304	S	S	*	.	S	Bend	trans	-121.9	95.4	-177.6	-64.3	-43	0	0	0	109.7	P175	P175-N177 PolarHBondContact O-N 2.57Å; P175-N177 VanDerWaalsContact O-N 3.1Å
178	V	86.7	Confident	88.6	Confident	45 Å²	45	63.9 Å²	63.9	27%	0.273	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143	174.8	-69.4	0	0	0	0	110.8	L52 L106 T108 L174	L52-V178 HydrophobicContact CD2-CG2 4.2Å; L106-V178 HydrophobicContact CD2-CB 4.17Å; L106-V178 HydrophobicContact CD2-CG2 4.25Å; T108-V178 HydrophobicContact CG2-CG1 4.48Å; L174-V178 HydrophobicContact CB-CG1 4.1Å; L174-V178 HydrophobicContact CD1-CG1 4.32Å; L174-V178 HydrophobicContact CD1-CG2 4.16Å; L174-V178 HydrophobicContact CD2-CG1 4.27Å; L174-V178 HydrophobicContact CG-CG1 4.47Å
179	V	88.4	Confident	88.6	Confident	44 Å²	44	68.4 Å²	68.4	27%	0.267	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.3	167.4	-177.9	0	0	0	0	107.4	L106 Y107 P110 T181	L106-V179 WeakPolarHBondContact CA-O 3.24Å; Y107-V179 HydrophobicContact CD2-CB 4.23Å; Y107-V179 HydrophobicContact CE1-CB 4.27Å; Y107-V179 HydrophobicContact CE1-CG1 4.13Å; Y107-V179 HydrophobicContact CE2-CB 3.82Å; Y107-V179 HydrophobicContact CE2-CG1 4.08Å; Y107-V179 HydrophobicContact CE2-CG2 4.33Å; Y107-V179 PolarHBondContact N-O 3.03Å; Y107-V179 VanDerWaalsContact N-O 3.08Å; Y107-V179 PolarHBondContact O-N 2.92Å; P110-V179 HydrophobicContact CB-CG2 4.37Å; V179-T181 HydrophobicContact CG1-CG2 4.22Å
180	L	91.8	Very high	88.9	Confident	32 Å²	32	66.7 Å²	66.7	17%	0.168	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.6	174.9	-175.1	66.1	0	0	0	108.7	L52 I83 W86 L104 T105 L106	L52-L180 HydrophobicContact CD1-CD1 4.45Å; L52-L180 HydrophobicContact CD1-CD2 3.81Å; I83-L180 HydrophobicContact CD1-CD2 3.49Å; I83-L180 VanDerWaalsContact CD1-CD2 3.49Å; I83-L180 HydrophobicContact CD1-CG 4.4Å; I83-L180 HydrophobicContact CG1-CD2 4.22Å; W86-L180 WeakPolarHBondContact CH2-O 3.29Å; W86-L180 HydrophobicContact CZ3-CD2 4.45Å; W86-L180 HydrophobicContact CZ3-CG 4.25Å; L104-L180 HydrophobicContact CD1-CD1 3.43Å; L104-L180 VanDerWaalsContact CD1-CD1 3.43Å; L104-L180 HydrophobicContact CD1-CD2 4.03Å; L104-L180 HydrophobicContact CD1-CG 3.75Å; L104-L180 HydrophobicContact CD2-CD1 4.16Å; L104-L180 HydrophobicContact CG-CD1 3.6Å; L104-L180 HydrophobicContact CG-CG 4.45Å; T105-L180 WeakPolarHBondContact O-CA 3.46Å; L106-L180 HydrophobicContact CD2-CB 4.14Å; L106-L180 HydrophobicContact CD2-CD1 3.6Å; L106-L180 HydrophobicContact CD2-CG 4.45Å; L106-L180 HydrophobicContact CG-CD1 3.8Å
181	T	92.3	Very high	89.3	Confident	34 Å²	34	63.7 Å²	63.7	21%	0.209	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.8	174.2	57.8	0	0	0	0	110.3	L104 T105 Y107 V179	L104-T181 CarbonylContact C-O 3.45Å; L104-T181 WeakPolarHBondContact CA-O 3.4Å; T105-T181 PolarHBondContact N-O 2.9Å; T105-T181 PolarHBondContact O-N 2.87Å; Y107-T181 HydrophobicContact CE1-CG2 3.57Å; Y107-T181 WeakPolarHBondContact OH-CG2 3.5Å; V179-T181 HydrophobicContact CG1-CG2 4.22Å
182	M	95.2	Very high	89.7	Confident	15 Å²	15	65.9 Å²	65.9	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.2	170.4	-172.3	176.9	-69.3	0	0	109.8	I43 W86 V103 L104 L184 F200	I43-M182 HydrophobicContact CD1-CE 3.71Å; W86-M182 HydrophobicContact CB-CE 4.35Å; W86-M182 HydrophobicContact CB-SD 3.98Å; W86-M182 HydrophobicContact CD2-CB 4.02Å; W86-M182 HydrophobicContact CE3-CB 3.61Å; W86-M182 HydrophobicContact CE3-CE 4.39Å; W86-M182 HydrophobicContact CZ3-CB 4.01Å; V103-M182 CarbonylContact O-C 3.56Å; V103-M182 VanDerWaalsContact O-CA 3.24Å; V103-M182 WeakPolarHBondContact O-CA 3.29Å; L104-M182 HydrophobicContact CB-CE 4.45Å; L104-M182 HydrophobicContact CD1-CB 4.26Å; L104-M182 HydrophobicContact CD1-CE 3.81Å; M182-L184 HydrophobicContact CG-CD2 4.09Å; M182-L184 HydrophobicContact SD-CD2 4.1Å; M182-F200 HydrophobicContact CB-CE1 4.05Å; M182-F200 HydrophobicContact CB-CZ 4.43Å; M182-F200 HydrophobicContact CG-CE1 4Å; M182-F200 HydrophobicContact CG-CZ 4.17Å; M182-F200 HydrophobicContact SD-CE1 4.25Å; M182-F200 HydrophobicContact SD-CZ 3.8Å
183	K	93.9	Very high	90	Very high	41 Å²	41	70.7 Å²	70.7	18%	0.178	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.5	171.8	-62	-167.7	-176	-168.2	0	109.9	V103 E203	V103-K183 PolarHBondContact N-O 3.28Å; V103-K183 PolarHBondContact O-N 3.13Å; K183-E203 VanDerWaalsContact CE-OE1 3.25Å; K183-E203 WeakPolarHBondContact CE-OE1 3.49Å; K183-E203 IonicContact NZ-OE1 3.67Å; K183-E203 PolarHBondContact NZ-OE1 3.14Å; K183-E203 IonicContact NZ-OE2 3.99Å; K183-E203 PolarHBondContact NZ-OE2 3.46Å
184	L	95.2	Very high	90.4	Very high	24 Å²	24	71.6 Å²	71.6	13%	0.126	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.6	177.4	-54	-173.9	0	0	0	109.2	C90 L99 M101 A102 M182 Y186 P197 F200	C90-L184 WeakPolarHBondContact SG-CD2 3.21Å; L99-L184 HydrophobicContact CD1-CB 3.9Å; L99-L184 HydrophobicContact CD1-CD1 4.31Å; L99-L184 HydrophobicContact CD1-CD2 3.97Å; L99-L184 HydrophobicContact CD1-CG 4.27Å; M101-L184 CarbonylContact O-C 3.53Å; M101-L184 WeakPolarHBondContact O-CA 3.18Å; A102-L184 HydrophobicContact CB-CD2 3.69Å; M182-L184 HydrophobicContact CG-CD2 4.09Å; M182-L184 HydrophobicContact SD-CD2 4.1Å; L184-Y186 HydrophobicContact CB-CE1 3.86Å; L184-Y186 HydrophobicContact CD1-CE1 4.16Å; L184-Y186 WeakPolarHBondContact CD1-OH 3.31Å; L184-P197 HydrophobicContact CD1-CG 3.97Å; L184-F200 HydrophobicContact CD1-CD1 3.83Å; L184-F200 HydrophobicContact CD1-CD2 3.7Å; L184-F200 HydrophobicContact CD1-CE1 3.74Å; L184-F200 HydrophobicContact CD1-CE2 3.61Å; L184-F200 HydrophobicContact CD1-CG 3.81Å; L184-F200 HydrophobicContact CD1-CZ 3.62Å; L184-F200 HydrophobicContact CD2-CE1 3.9Å; L184-F200 HydrophobicContact CD2-CZ 3.89Å; L184-F200 HydrophobicContact CG-CD1 3.78Å; L184-F200 HydrophobicContact CG-CE1 3.52Å; L184-F200 HydrophobicContact CG-CE2 4.3Å; L184-F200 HydrophobicContact CG-CG 4.28Å; L184-F200 HydrophobicContact CG-CZ 3.8Å
185	H	93.5	Very high	90.8	Very high	46 Å²	46	71.9 Å²	71.9	21%	0.213	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.7	170.6	-56.3	-103.9	0	0	0	108	R100 M101 D272	R100-H185 WeakPolarHBondContact CA-O 3.48Å; R100-H185 WeakPolarHBondContact CB-O 3.42Å; R100-H185 PolarHBondContact N-O 3.32Å; M101-H185 HydrophobicContact CB-CB 4.09Å; M101-H185 PolarHBondContact N-O 3.46Å; M101-H185 PolarHBondContact O-N 3.33Å; H185-D272 IonicContact CE1-OD2 3.82Å; H185-D272 PolarHBondContact CE1-OD2 3.27Å; H185-D272 IonicContact ND1-OD2 3.99Å; H185-D272 PolarHBondContact ND1-OD2 3.39Å
186	Y	93.6	Very high	91.3	Very high	52 Å²	52	75 Å²	75	20%	0.204	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	166.1	-176.9	-53.4	-60.6	0	0	0	112.2	A93 Y98 L99 L184 T191 Y195 P197	A93-Y186 HydrophobicContact CB-CE1 4.22Å; Y98-Y186 CarbonylContact O-C 3.56Å; Y98-Y186 WeakPolarHBondContact O-CA 3.48Å; Y98-Y186 WeakPolarHBondContact O-CB 3.16Å; L99-Y186 HydrophobicContact CD1-CD1 4.31Å; L99-Y186 HydrophobicContact CD1-CE1 4.17Å; L184-Y186 HydrophobicContact CB-CE1 3.86Å; L184-Y186 HydrophobicContact CD1-CE1 4.16Å; L184-Y186 WeakPolarHBondContact CD1-OH 3.31Å; Y186-T191 HydrophobicContact CD2-CG2 4.16Å; Y186-T191 HydrophobicContact CG-CG2 3.98Å; Y186-Y195 HydrophobicContact CD1-CE1 4.38Å; Y186-Y195 HydrophobicContact CE1-CD1 4.35Å; Y186-Y195 AromaticContact CE1-CE1 3.83Å; Y186-Y195 HydrophobicContact CE1-CE1 3.83Å; Y186-Y195 HydrophobicContact CE2-CD1 4.31Å; Y186-Y195 AromaticContact CZ-CE1 3.91Å; Y186-P197 WeakPolarHBondContact OH-CD 3.36Å; Y186-P197 WeakPolarHBondContact OH-CG 3.44Å
187	Y	91.8	Very high	92.1	Very high	68 Å²	68	67.5 Å²	67.5	27%	0.267	36%	0.361	S	S	.	.			trans	-81	109	164.8	-75.3	-76.1	0	0	0	109.3	Y98 R100 F124 Y126 A189 V190 T191	Y98-Y187 PolarHBondContact O-N 3.41Å; R100-Y187 HydrophobicContact CB-CD1 4.35Å; R100-Y187 HydrophobicContact CB-CD2 3.78Å; R100-Y187 HydrophobicContact CB-CE1 4.27Å; R100-Y187 HydrophobicContact CB-CE2 3.66Å; R100-Y187 HydrophobicContact CB-CG 4.13Å; R100-Y187 HydrophobicContact CG-CD1 4.41Å; R100-Y187 HydrophobicContact CG-CE1 3.99Å; R100-Y187 HydrophobicContact CG-CE2 4.08Å; F124-Y187 PolarHBondContact O-OH 2.9Å; Y126-Y187 HydrophobicContact CD2-CD2 4.22Å; Y126-Y187 AromaticContact CD2-CE2 3.74Å; Y126-Y187 HydrophobicContact CD2-CE2 3.74Å; Y126-Y187 AromaticContact CE2-CD2 3.86Å; Y126-Y187 HydrophobicContact CE2-CD2 3.86Å; Y126-Y187 AromaticContact CE2-CE2 3.52Å; Y126-Y187 HydrophobicContact CE2-CE2 3.52Å; Y187-A189 PolarHBondContact O-N 3.22Å; Y187-V190 PolarHBondContact O-N 2.87Å; Y187-T191 WeakPolarHBondContact O-CB 3.12Å; Y187-T191 PolarHBondContact O-N 3.08Å; Y187-T191 PolarHBondContact O-OG1 2.85Å
188	N	89.3	Confident	92.5	Very high	128 Å²	128	66.1 Å²	66.1	68%	0.684	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.5	-175.8	-67.4	-18.5	0	0	0	112.7	V190	N188-V190 PolarHBondContact O-N 3.27Å
189	A	89.6	Confident	92.7	Very high	98 Å²	98	66 Å²	66	81%	0.81	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.1	-176.9	0	0	0	0	0	114.8	Y187	Y187-A189 PolarHBondContact O-N 3.22Å
190	V	90.9	Very high	93	Very high	82 Å²	82	65.2 Å²	65.2	50%	0.497	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-12.1	-173.3	-63.4	0	0	0	0	114	Y98 Y187 N188	Y98-V190 HydrophobicContact CD1-CB 4.45Å; Y98-V190 HydrophobicContact CD1-CG2 3.97Å; Y98-V190 HydrophobicContact CE1-CB 4.47Å; Y98-V190 HydrophobicContact CE1-CG2 4.47Å; Y98-V190 WeakPolarHBondContact CE1-O 3.44Å; Y187-V190 PolarHBondContact O-N 2.87Å; N188-V190 PolarHBondContact O-N 3.27Å
191	T	93.8	Very high	93.1	Very high	18 Å²	18	72 Å²	72	11%	0.11	38%	0.382	C	S	.	.	S	Bend	trans	-98	121.4	-172	-50.7	0	0	0	0	110.2	Y98 Y186 Y187 Y195	Y98-T191 WeakPolarHBondContact CB-OG1 3.5Å; Y98-T191 HydrophobicContact CD2-CG2 3.94Å; Y98-T191 HydrophobicContact CG-CG2 3.99Å; Y186-T191 HydrophobicContact CD2-CG2 4.16Å; Y186-T191 HydrophobicContact CG-CG2 3.98Å; Y187-T191 WeakPolarHBondContact O-CB 3.12Å; Y187-T191 PolarHBondContact O-N 3.08Å; Y187-T191 PolarHBondContact O-OG1 2.85Å; T191-Y195 HydrophobicContact CG2-CD1 3.61Å; T191-Y195 HydrophobicContact CG2-CE1 4.47Å; T191-Y195 HydrophobicContact CG2-CG 4.04Å
192	P	95.8	Very high	92.9	Very high	56 Å²	56	77.7 Å²	77.7	36%	0.364	41%	0.406	S	S	.	.			trans	-59.3	145.3	174.6	-23.7	34.1	0	0	0	112.4	D194 Y195	P192-D194 VanDerWaalsContact CB-OD1 3.25Å; P192-D194 WeakPolarHBondContact CB-OD1 3.5Å; P192-D194 PolarHBondContact O-N 3.17Å; P192-Y195 WeakPolarHBondContact O-CB 3.46Å; P192-Y195 PolarHBondContact O-N 2.82Å; P192-Y195 VanDerWaalsContact O-N 3.1Å
193	H	90.6	Very high	92.3	Very high	197 Å²	197	81.4 Å²	81.4	91%	0.912	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26	-179	-68.3	-66.5	0	0	0	113.9	Y195	H193-Y195 VanDerWaalsContact C-N 3.33Å
194	D	93.3	Very high	91.3	Very high	141 Å²	141	85.5 Å²	85.5	75%	0.754	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	3.6	177.3	65.7	-28.4	0	0	0	112.9	P192 Q196	P192-D194 VanDerWaalsContact CB-OD1 3.25Å; P192-D194 WeakPolarHBondContact CB-OD1 3.5Å; P192-D194 PolarHBondContact O-N 3.17Å; D194-Q196 PolarHBondContact O-N 2.8Å
195	Y	95.7	Very high	89.9	Confident	35 Å²	35	89.9 Å²	89.9	14%	0.137	48%	0.475	C	S	.	.			trans	-68.5	119.1	179.9	175.7	-107.4	0	0	0	111.4	D92 A93 K96 Y98 Y186 T191 P192 H193 P197	D92-Y195 WeakPolarHBondContact OD2-CE2 3.42Å; D92-Y195 PolarHBondContact OD2-OH 2.82Å; A93-Y195 WeakPolarHBondContact CA-OH 3.36Å; A93-Y195 HydrophobicContact CB-CE1 4.3Å; A93-Y195 VanDerWaalsContact CB-OH 3.29Å; A93-Y195 WeakPolarHBondContact CB-OH 3.26Å; A93-Y195 PolarHBondContact N-OH 3.31Å; K96-Y195 HydrophobicContact CD-CE2 4.04Å; Y98-Y195 AromaticContact CD2-CD1 3.86Å; Y98-Y195 HydrophobicContact CD2-CD1 3.86Å; Y98-Y195 AromaticContact CD2-CD2 3.97Å; Y98-Y195 HydrophobicContact CD2-CD2 3.97Å; Y98-Y195 AromaticContact CD2-CE1 3.75Å; Y98-Y195 HydrophobicContact CD2-CE1 3.75Å; Y98-Y195 AromaticContact CD2-CE2 3.87Å; Y98-Y195 HydrophobicContact CD2-CE2 3.87Å; Y98-Y195 AromaticContact CD2-CG 3.96Å; Y98-Y195 HydrophobicContact CD2-CG 3.96Å; Y98-Y195 AromaticContact CD2-CZ 3.74Å; Y98-Y195 HydrophobicContact CE2-CD1 4.47Å; Y98-Y195 AromaticContact CE2-CD2 3.87Å; Y98-Y195 HydrophobicContact CE2-CD2 3.87Å; Y98-Y195 HydrophobicContact CE2-CE2 4.02Å; Y98-Y195 HydrophobicContact CE2-CG 4.1Å; Y186-Y195 HydrophobicContact CD1-CE1 4.38Å; Y186-Y195 HydrophobicContact CE1-CD1 4.35Å; Y186-Y195 AromaticContact CE1-CE1 3.83Å; Y186-Y195 HydrophobicContact CE1-CE1 3.83Å; Y186-Y195 HydrophobicContact CE2-CD1 4.31Å; Y186-Y195 AromaticContact CZ-CE1 3.91Å; T191-Y195 HydrophobicContact CG2-CD1 3.61Å; T191-Y195 HydrophobicContact CG2-CE1 4.47Å; T191-Y195 HydrophobicContact CG2-CG 4.04Å; P192-Y195 WeakPolarHBondContact O-CB 3.46Å; P192-Y195 PolarHBondContact O-N 2.82Å; P192-Y195 VanDerWaalsContact O-N 3.1Å; H193-Y195 VanDerWaalsContact C-N 3.33Å; Y195-P197 HydrophobicContact CE1-CB 4.32Å; Y195-P197 HydrophobicContact CE1-CG 3.92Å
196	Q	94	Very high	88.5	Confident	122 Å²	122	91.1 Å²	91.1	57%	0.57	49%	0.489	S	S	*	.			trans	-134.8	104.4	178.2	-170.4	171.8	-20.2	0	0	110.8	D194 F200	D194-Q196 PolarHBondContact O-N 2.8Å; Q196-F200 VanDerWaalsContact CG-O 3.23Å; Q196-F200 WeakPolarHBondContact CG-O 3.29Å; Q196-F200 PolarHBondContact NE2-O 2.87Å
197	P	94.8	Very high	86.8	Confident	6 Å²	6	93.9 Å²	93.9	4%	0.039	50%	0.503	C	S	.	.			trans	-72.4	159.4	179.7	23.5	-25.5	0	0	0	112.3	G89 L184 Y186 Y195 G199 F200	G89-P197 WeakPolarHBondContact O-CB 3.19Å; L184-P197 HydrophobicContact CD1-CG 3.97Å; Y186-P197 WeakPolarHBondContact OH-CD 3.36Å; Y186-P197 WeakPolarHBondContact OH-CG 3.44Å; Y195-P197 HydrophobicContact CE1-CB 4.32Å; Y195-P197 HydrophobicContact CE1-CG 3.92Å; P197-G199 PolarHBondContact O-N 3.48Å; P197-F200 HydrophobicContact CB-CD2 4.25Å; P197-F200 HydrophobicContact CG-CB 4.04Å; P197-F200 HydrophobicContact CG-CD2 3.9Å; P197-F200 HydrophobicContact CG-CG 4.23Å; P197-F200 PolarHBondContact O-N 3.3Å; P197-F200 VanDerWaalsContact O-N 3.07Å
198	L	92.2	Very high	85.2	Confident	104 Å²	104	95.7 Å²	95.7	55%	0.545	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	128.5	179.1	-175.8	70.9	0	0	0	111.6	Q88 G89 F200	Q88-L198 HydrophobicContact CB-CD2 4.43Å; G89-L198 WeakPolarHBondContact CA-O 3.25Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 VanDerWaalsContact O-CD2 3.25Å; L198-F200 WeakPolarHBondContact O-CD2 3.36Å; L198-F200 PolarHBondContact O-N 3.38Å
199	G	91.6	Very high	84.1	Confident	44 Å²	44	90.5 Å²	90.5	45%	0.454	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	0.4	177.8	0	0	0	0	0	114.8	W86 P197	W86-G199 PolarHBondContact NE1-O 2.94Å; P197-G199 PolarHBondContact O-N 3.48Å
200	F	94.8	Very high	82.8	Confident	26 Å²	26	89.8 Å²	89.8	11%	0.114	47%	0.467	C	S	.	.			trans	-118.5	161.2	177.4	-62.4	-86.6	0	0	0	111.4	W86 M182 L184 Q196 P197 L198	W86-F200 HydrophobicContact CB-CE2 4.1Å; W86-F200 HydrophobicContact CB-CZ 3.68Å; W86-F200 AromaticContact CD1-CZ 3.86Å; W86-F200 HydrophobicContact CG-CE1 4.37Å; W86-F200 HydrophobicContact CG-CE2 4.38Å; W86-F200 AromaticContact CG-CZ 3.87Å; W86-F200 HydrophobicContact CG-CZ 3.87Å; W86-F200 WeakPolarHBondContact O-CE2 3.48Å; M182-F200 HydrophobicContact CB-CE1 4.05Å; M182-F200 HydrophobicContact CB-CZ 4.43Å; M182-F200 HydrophobicContact CG-CE1 4Å; M182-F200 HydrophobicContact CG-CZ 4.17Å; M182-F200 HydrophobicContact SD-CE1 4.25Å; M182-F200 HydrophobicContact SD-CZ 3.8Å; L184-F200 HydrophobicContact CD1-CD1 3.83Å; L184-F200 HydrophobicContact CD1-CD2 3.7Å; L184-F200 HydrophobicContact CD1-CE1 3.74Å; L184-F200 HydrophobicContact CD1-CE2 3.61Å; L184-F200 HydrophobicContact CD1-CG 3.81Å; L184-F200 HydrophobicContact CD1-CZ 3.62Å; L184-F200 HydrophobicContact CD2-CE1 3.9Å; L184-F200 HydrophobicContact CD2-CZ 3.89Å; L184-F200 HydrophobicContact CG-CD1 3.78Å; L184-F200 HydrophobicContact CG-CE1 3.52Å; L184-F200 HydrophobicContact CG-CE2 4.3Å; L184-F200 HydrophobicContact CG-CG 4.28Å; L184-F200 HydrophobicContact CG-CZ 3.8Å; Q196-F200 VanDerWaalsContact CG-O 3.23Å; Q196-F200 WeakPolarHBondContact CG-O 3.29Å; Q196-F200 PolarHBondContact NE2-O 2.87Å; P197-F200 HydrophobicContact CB-CD2 4.25Å; P197-F200 HydrophobicContact CG-CB 4.04Å; P197-F200 HydrophobicContact CG-CD2 3.9Å; P197-F200 HydrophobicContact CG-CG 4.23Å; P197-F200 PolarHBondContact O-N 3.3Å; P197-F200 VanDerWaalsContact O-N 3.07Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 VanDerWaalsContact O-CD2 3.25Å; L198-F200 WeakPolarHBondContact O-CD2 3.36Å; L198-F200 PolarHBondContact O-N 3.38Å
201	K	92.3	Very high	81.7	Confident	174 Å²	174	87.2 Å²	87.2	76%	0.757	45%	0.449	S	S	*	.			trans	-144.7	155.8	172.1	62.4	178.4	-177.3	175.3	0	109.1	E203	K201-E203 PolarHBondContact O-N 3.36Å
202	E	89.5	Confident	80.4	Confident	154 Å²	154	91 Å²	91	72%	0.72	47%	0.469	S	S	*	.			trans	-56.5	136.7	173.2	-170.5	175.5	-163.5	0	0	110.3	V204	E202-V204 PolarHBondContact O-N 2.92Å
203	E	82.1	Confident	79.1	Confident	93 Å²	93	93.5 Å²	93.5	44%	0.435	47%	0.474	S	S	.	.			trans	-83	107.3	178.5	-177.6	165	-149.8	0	0	109.5	K183 K201	K183-E203 VanDerWaalsContact CE-OE1 3.25Å; K183-E203 WeakPolarHBondContact CE-OE1 3.49Å; K183-E203 IonicContact NZ-OE1 3.67Å; K183-E203 PolarHBondContact NZ-OE1 3.14Å; K183-E203 IonicContact NZ-OE2 3.99Å; K183-E203 PolarHBondContact NZ-OE2 3.46Å; K201-E203 PolarHBondContact O-N 3.36Å
204	V	73.7	Confident	78.5	Confident	128 Å²	128	90.9 Å²	90.9	78%	0.776	46%	0.462	S	S	*	.	S	Bend	trans	-83	-26.9	-177.6	-174.4	0	0	0	0	112	E202	E202-V204 PolarHBondContact O-N 2.92Å
205	N	64.8	Low	77.9	Confident	116 Å²	116	85.4 Å²	85.4	62%	0.62	44%	0.435	S	S	*	.	S	Bend	trans	-133.9	96.8	178.9	-69.6	-37.8	0	0	0	109.1	H207	N205-H207 PolarHBondContact O-N 3.4Å
206	S	63.5	Low	77.4	Confident	72 Å²	72	85.2 Å²	85.2	50%	0.503	44%	0.436	S	S	.	.			trans	-77.4	102.1	172.7	-173.1	0	0	0	0	109.1
207	H	59.2	Low	77	Confident	109 Å²	109	83.3 Å²	83.3	51%	0.505	43%	0.43	S	S	.	.			trans	-81.7	139.2	167.5	-65.9	-58.4	0	0	0	109.5	E114 N205 L209	E114-H207 IonicContact OE1-CD2 3.07Å; E114-H207 WeakPolarHBondContact OE2-CB 3.44Å; N205-H207 PolarHBondContact O-N 3.4Å; H207-L209 PolarHBondContact O-N 2.94Å
208	F	57.6	Low	76.6	Confident	107 Å²	107	83.8 Å²	83.8	47%	0.469	43%	0.433	S	S	.	.			trans	-70.6	117.7	177.9	-58.1	-50.7	0	0	0	109.9	L210 H273	F208-L210 HydrophobicContact CB-CG 4.33Å; F208-L210 PolarHBondContact O-N 3.43Å; F208-H273 HydrophobicContact CD1-CB 3.04Å; F208-H273 AromaticContact CD1-CD2 3.77Å; F208-H273 AromaticContact CD1-CG 3.65Å; F208-H273 AromaticContact CD2-CD2 3.92Å; F208-H273 HydrophobicContact CE1-CB 3.07Å; F208-H273 AromaticContact CE1-CD2 3.32Å; F208-H273 WeakPolarHBondContact CE1-CD2 3.38Å; F208-H273 AromaticContact CE1-CG 3.19Å; F208-H273 AromaticContact CE1-ND1 3.93Å; F208-H273 AromaticContact CE2-CD2 3.46Å; F208-H273 VanDerWaalsContact CE2-CD2 3.46Å; F208-H273 WeakPolarHBondContact CE2-CD2 3.47Å; F208-H273 HydrophobicContact CG-CB 3.87Å; F208-H273 HydrophobicContact CZ-CB 3.9Å; F208-H273 AromaticContact CZ-CD2 3.12Å; F208-H273 WeakPolarHBondContact CZ-CD2 3.35Å; F208-H273 AromaticContact CZ-CG 3.5Å; F208-H273 AromaticContact CZ-NE2 3.59Å
209	L	65.7	Low	76.5	Confident	19 Å²	19	83.8 Å²	83.8	10%	0.099	43%	0.43	C	S	.	.			trans	-78.3	107.1	173	-72.8	179	0	0	0	108.4	T105 E114 V116 M119 H207	T105-L209 HydrophobicContact CG2-CD1 3.94Å; T105-L209 HydrophobicContact CG2-CD2 4.45Å; E114-L209 HydrophobicContact CB-CD2 4.05Å; E114-L209 WeakPolarHBondContact OE2-CD2 3.47Å; V116-L209 HydrophobicContact CG2-CB 3.52Å; V116-L209 HydrophobicContact CG2-CD2 4.04Å; V116-L209 HydrophobicContact CG2-CG 4.27Å; M119-L209 HydrophobicContact CE-CB 4.46Å; M119-L209 HydrophobicContact CE-CD1 4.45Å; H207-L209 PolarHBondContact O-N 2.94Å
210	L	63	Low	76.5	Confident	82 Å²	82	81.8 Å²	81.8	43%	0.429	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.2	-177.5	-64.7	171.4	0	0	0	110.6	V116 F208	V116-L210 PolarHBondContact N-O 2.96Å; F208-L210 HydrophobicContact CB-CG 4.33Å; F208-L210 PolarHBondContact O-N 3.43Å
211	F	68.5	Low	76.3	Confident	28 Å²	28	81.2 Å²	81.2	12%	0.123	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.5	165.1	-70.9	-88.1	0	0	0	108.9	V116 M119 K213 M235 E237	V116-F211 HydrophobicContact CB-CD1 3.98Å; V116-F211 HydrophobicContact CB-CD2 4.35Å; V116-F211 HydrophobicContact CB-CE1 3.95Å; V116-F211 HydrophobicContact CB-CE2 4.31Å; V116-F211 HydrophobicContact CB-CG 4.19Å; V116-F211 HydrophobicContact CB-CZ 4.12Å; V116-F211 HydrophobicContact CG1-CD1 4.04Å; V116-F211 HydrophobicContact CG1-CD2 4.48Å; V116-F211 HydrophobicContact CG1-CE1 3.47Å; V116-F211 VanDerWaalsContact CG1-CE1 3.47Å; V116-F211 HydrophobicContact CG1-CE2 3.96Å; V116-F211 HydrophobicContact CG1-CZ 3.42Å; V116-F211 VanDerWaalsContact CG1-CZ 3.42Å; V116-F211 WeakPolarHBondContact O-CD1 3.38Å; M119-F211 HydrophobicContact CB-CZ 4.22Å; M119-F211 HydrophobicContact CE-CE2 4.29Å; F211-K213 VanDerWaalsContact C-N 3.29Å; F211-K213 WeakPolarHBondContact CB-O 3.43Å; F211-M235 HydrophobicContact CE2-CB 4.16Å; F211-M235 HydrophobicContact CE2-CE 4.37Å; F211-M235 HydrophobicContact CZ-CB 3.75Å; F211-E237 HydrophobicContact CD1-CG 4.14Å
212	D	65.2	Low	76.3	Confident	99 Å²	99	77.7 Å²	77.7	53%	0.529	40%	0.395	S	S	.	.	S	Bend	trans	-74.2	-26.6	179.4	-159.6	41.1	0	0	0	111.5	K115	K115-D212 HydrophobicContact CD-CB 4.1Å; K115-D212 WeakPolarHBondContact CE-OD1 3.28Å; K115-D212 HydrophobicContact CG-CB 4.44Å; K115-D212 IonicContact NZ-OD1 2.97Å; K115-D212 PolarHBondContact NZ-OD1 3.08Å; K115-D212 IonicContact NZ-OD2 2.77Å; K115-D212 PolarHBondContact NZ-OD2 2.91Å
213	K	69.9	Low	76.5	Confident	108 Å²	108	70.4 Å²	70.4	47%	0.47	36%	0.361	S	S	.	.	S	Bend	trans	-121.2	173	-179.8	-64	178.1	-177.9	170.3	0	110.9	F211 S215 E237 T239	F211-K213 VanDerWaalsContact C-N 3.29Å; F211-K213 WeakPolarHBondContact CB-O 3.43Å; K213-S215 PolarHBondContact O-N 3.37Å; K213-E237 HydrophobicContact CB-CB 4.43Å; K213-E237 HydrophobicContact CB-CG 4.25Å; K213-T239 HydrophobicContact CD-CG2 4.4Å
214	E	77.8	Confident	77.1	Confident	141 Å²	141	67.8 Å²	67.8	66%	0.659	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-54.6	124.3	168.9	-174.5	168	-161.1	0	0	110.2	A238	E214-A238 HydrophobicContact CB-CB 4.5Å; E214-A238 WeakPolarHBondContact O-CB 3.36Å; E214-A238 PolarHBondContact O-N 3.04Å
215	S	81.1	Confident	77.9	Confident	27 Å²	27	62 Å²	62	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.1	177.9	63.9	0	0	0	0	110.5	K213 T236	K213-S215 PolarHBondContact O-N 3.37Å; S215-T236 CarbonylContact C-O 3.47Å; S215-T236 VanDerWaalsContact CA-O 3.25Å; S215-T236 WeakPolarHBondContact CA-O 3.34Å
216	I	84.1	Confident	79	Confident	30 Å²	30	56.9 Å²	56.9	15%	0.154	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.9	166.4	60.7	164.8	0	0	0	110.2	V218 M235 T236 A238 V241	I216-V218 HydrophobicContact CD1-CG2 3.94Å; I216-V218 HydrophobicContact CG1-CG2 4.43Å; I216-M235 VanDerWaalsContact O-CA 3.25Å; I216-M235 WeakPolarHBondContact O-CA 3.14Å; I216-T236 HydrophobicContact CD1-CG2 4.16Å; I216-T236 HydrophobicContact CG1-CG2 3.85Å; I216-T236 WeakPolarHBondContact CG1-O 3.06Å; I216-T236 PolarHBondContact N-O 3.43Å; I216-T236 PolarHBondContact O-N 2.66Å; I216-A238 HydrophobicContact CG2-CB 3.73Å; I216-V241 HydrophobicContact CD1-CB 3.56Å; I216-V241 HydrophobicContact CD1-CG1 3.67Å; I216-V241 HydrophobicContact CD1-CG2 3.69Å
217	N	85.8	Confident	80.2	Confident	83 Å²	83	55.4 Å²	55.4	44%	0.444	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.1	175.4	-171.8	-36.3	0	0	0	109.5	M235	N217-M235 HydrophobicContact CB-CG 3.98Å; N217-M235 HydrophobicContact CB-SD 4.46Å; N217-M235 WeakPolarHBondContact ND2-CG 3.3Å; N217-M235 PolarHBondContact ND2-SD 2.55Å
218	V	87.3	Confident	81.9	Confident	15 Å²	15	50.4 Å²	50.4	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.4	-176.8	-177.2	0	0	0	0	108.7	L167 I216 V220 K233 V234 L244 L248	L167-V218 HydrophobicContact CD2-CG1 4.49Å; I216-V218 HydrophobicContact CD1-CG2 3.94Å; I216-V218 HydrophobicContact CG1-CG2 4.43Å; V218-V220 PolarHBondContact O-N 2.89Å; V218-K233 CarbonylContact O-C 3.55Å; V218-K233 WeakPolarHBondContact O-CA 3.37Å; V218-V234 PolarHBondContact N-O 2.92Å; V218-V234 PolarHBondContact O-N 3.1Å; V218-L244 HydrophobicContact CB-CD2 4.47Å; V218-L244 HydrophobicContact CG1-CD2 4.11Å; V218-L244 HydrophobicContact CG2-CD2 3.67Å; V218-L248 HydrophobicContact CG1-CD1 3.37Å
219	Q	88.6	Confident	83.6	Confident	105 Å²	105	45.9 Å²	45.9	49%	0.491	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	108.4	168.3	-179.6	172	-19.6	0	0	109.3
220	V	91.6	Very high	85.1	Confident	2 Å²	2	45 Å²	45	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-40	-175.4	-177.1	0	0	0	0	111.5	K163 L164 L167 V218 V232 V234	K163-V220 HydrophobicContact CB-CG1 3.68Å; K163-V220 WeakPolarHBondContact CD-O 3.42Å; L164-V220 HydrophobicContact CB-CG1 4.49Å; L164-V220 HydrophobicContact CD2-CB 4.41Å; L164-V220 HydrophobicContact CD2-CG1 3.87Å; L164-V220 HydrophobicContact CD2-CG2 4.2Å; L164-V220 HydrophobicContact CG-CG1 3.79Å; L167-V220 HydrophobicContact CD2-CG2 3.65Å; V218-V220 PolarHBondContact O-N 2.89Å; V220-V232 HydrophobicContact CB-CB 4.38Å; V220-V232 HydrophobicContact CB-CG1 4.25Å; V220-V232 HydrophobicContact CG2-CG1 4.5Å; V220-V232 PolarHBondContact N-O 3.28Å; V220-V234 HydrophobicContact CG2-CB 4.24Å; V220-V234 HydrophobicContact CG2-CG2 3.56Å
221	G	90.7	Very high	86.7	Confident	14 Å²	14	44.6 Å²	44.6	14%	0.144	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	169.8	-178.9	0	0	0	0	0	114.2	V232	G221-V232 PolarHBondContact N-O 2.82Å; G221-V232 PolarHBondContact O-N 3Å
222	F	92.9	Very high	88	Confident	100 Å²	100	43.2 Å²	43.2	44%	0.439	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	132.9	176.5	172.7	-102.8	0	0	0	108.6	M230 K231	F222-M230 WeakPolarHBondContact CA-O 3.29Å; F222-K231 HydrophobicContact CD2-CB 4.04Å
223	V	93.9	Very high	89.3	Confident	1 Å²	1	41 Å²	41	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.9	175	178.1	0	0	0	0	107.9	L38 I153 A156 S157 L160 S229 M230	L38-V223 HydrophobicContact CD2-CB 3.84Å; L38-V223 HydrophobicContact CD2-CG1 4.12Å; L38-V223 HydrophobicContact CD2-CG2 3.66Å; I153-V223 HydrophobicContact CG2-CG1 3.98Å; A156-V223 HydrophobicContact CB-CG2 4.1Å; S157-V223 WeakPolarHBondContact OG-CG1 3.45Å; L160-V223 HydrophobicContact CD1-CG2 4Å; V223-S229 CarbonylContact O-C 3.58Å; V223-S229 VanDerWaalsContact O-CA 3.26Å; V223-S229 WeakPolarHBondContact O-CA 3.25Å; V223-M230 PolarHBondContact N-O 3.29Å; V223-M230 PolarHBondContact O-N 2.66Å
224	S	93.4	Very high	90.4	Very high	37 Å²	37	35.9 Å²	35.9	26%	0.259	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.9	171.4	179.8	0	0	0	0	109.5	G226 S229	S224-G226 PolarHBondContact OG-N 3.47Å; S224-S229 WeakPolarHBondContact CB-OG 3.4Å; S224-S229 PolarHBondContact OG-OG 2.89Å
225	T	91.2	Very high	91	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.037	16%	0.155	C	C	.	.			trans	-112.7	7.6	179.4	58.4	0	0	0	0	112.3	I25 S31 M34 V35 I153 F227 H228	I25-T225 HydrophobicContact CD1-CG2 4.01Å; S31-T225 WeakPolarHBondContact CB-OG1 3.47Å; S31-T225 WeakPolarHBondContact OG-CB 3.38Å; S31-T225 PolarHBondContact OG-OG1 3.26Å; M34-T225 HydrophobicContact CB-CG2 4.44Å; M34-T225 HydrophobicContact CG-CG2 4.14Å; V35-T225 HydrophobicContact CG2-CG2 4.42Å; I153-T225 HydrophobicContact CG2-CG2 4.04Å; T225-F227 PolarHBondContact O-N 3.35Å; T225-H228 PolarHBondContact N-O 3.39Å; T225-H228 PolarHBondContact OG1-N 2.95Å; T225-H228 VanDerWaalsContact OG1-N 3.09Å; T225-H228 PolarHBondContact OG1-O 2.85Å
226	G	87.4	Confident	91.3	Very high	10 Å²	10	28.5 Å²	28.5	10%	0.103	15%	0.147	C	C	.	.	S	Bend	trans	83.9	-42.4	-169	0	0	0	0	0	113.6	T127 G130 S224	T127-G226 VanDerWaalsContact CB-O 3.26Å; T127-G226 WeakPolarHBondContact CB-O 3.34Å; T127-G226 PolarHBondContact OG1-O 2.94Å; G130-G226 CarbonylContact C-O 3.52Å; S224-G226 PolarHBondContact OG-N 3.47Å
227	F	90.3	Very high	91.1	Very high	41 Å²	41	28 Å²	28	18%	0.18	14%	0.143	C	C	.	.	S	Bend	trans	-94.5	-38.9	178.8	-54.1	-93.9	0	0	0	113.1	E28 S31 T127 T225	E28-F227 HydrophobicContact CB-CB 4.46Å; E28-F227 HydrophobicContact CB-CD1 3.77Å; E28-F227 HydrophobicContact CB-CE1 4.23Å; E28-F227 HydrophobicContact CB-CG 4.14Å; E28-F227 HydrophobicContact CG-CB 4.26Å; E28-F227 HydrophobicContact CG-CD1 4.27Å; E28-F227 HydrophobicContact CG-CG 4.46Å; S31-F227 WeakPolarHBondContact OG-CB 3.41Å; T127-F227 PolarHBondContact N-O 2.93Å; T225-F227 PolarHBondContact O-N 3.35Å
228	H	93.6	Very high	90.4	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.8	-179.6	-60.8	84.9	0	0	0	110.1	S31 V35 K125 Y126 T225	S31-H228 PolarHBondContact OG-N 3.36Å; S31-H228 PolarHBondContact OG-ND1 3.47Å; V35-H228 HydrophobicContact CB-CB 4.49Å; V35-H228 HydrophobicContact CG2-CB 3.64Å; K125-H228 WeakPolarHBondContact O-CA 3.37Å; Y126-H228 AromaticContact CD1-CD2 3.36Å; Y126-H228 WeakPolarHBondContact CD1-CD2 3.33Å; Y126-H228 AromaticContact CD1-NE2 3.73Å; Y126-H228 AromaticContact CE1-CD2 3.64Å; T225-H228 PolarHBondContact N-O 3.39Å; T225-H228 PolarHBondContact OG1-N 2.95Å; T225-H228 VanDerWaalsContact OG1-N 3.09Å; T225-H228 PolarHBondContact OG1-O 2.85Å
229	S	93.9	Very high	89.2	Confident	13 Å²	13	28.2 Å²	28.2	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.9	170.3	-63.1	0	0	0	0	111.5	F124 K125 V223 S224	F124-S229 VanDerWaalsContact CA-O 3.31Å; F124-S229 WeakPolarHBondContact CA-O 3.49Å; K125-S229 PolarHBondContact N-O 2.87Å; K125-S229 PolarHBondContact O-N 3.31Å; V223-S229 CarbonylContact O-C 3.58Å; V223-S229 VanDerWaalsContact O-CA 3.26Å; V223-S229 WeakPolarHBondContact O-CA 3.25Å; S224-S229 WeakPolarHBondContact CB-OG 3.4Å; S224-S229 PolarHBondContact OG-OG 2.89Å
230	M	96.9	Very high	87.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.1	173.5	-168.6	179.3	83.6	0	0	110.4	V35 L38 F39 F122 K123 F124 L160 F222 V223 V232	V35-M230 HydrophobicContact CG1-CB 4.34Å; V35-M230 HydrophobicContact CG1-SD 4.48Å; L38-M230 HydrophobicContact CB-CE 4.2Å; L38-M230 HydrophobicContact CD2-CE 3.59Å; L38-M230 HydrophobicContact CG-CE 3.48Å; L38-M230 VanDerWaalsContact CG-CE 3.48Å; F39-M230 HydrophobicContact CB-SD 3.94Å; F39-M230 HydrophobicContact CD2-SD 4.36Å; F122-M230 HydrophobicContact CD1-CE 4.35Å; F122-M230 HydrophobicContact CD1-SD 4.21Å; K123-M230 CarbonylContact O-C 3.58Å; K123-M230 WeakPolarHBondContact O-CA 3.25Å; F124-M230 HydrophobicContact CD1-CB 4.23Å; F124-M230 HydrophobicContact CD1-CG 3.93Å; F124-M230 HydrophobicContact CD1-SD 4.48Å; F124-M230 HydrophobicContact CE1-CB 4.25Å; F124-M230 HydrophobicContact CE1-CG 3.58Å; F124-M230 HydrophobicContact CE1-SD 3.59Å; F124-M230 VanDerWaalsContact CE1-SD 3.59Å; F124-M230 HydrophobicContact CZ-CG 4.29Å; F124-M230 HydrophobicContact CZ-SD 4.13Å; L160-M230 HydrophobicContact CD1-CE 4.37Å; F222-M230 WeakPolarHBondContact CA-O 3.29Å; V223-M230 PolarHBondContact N-O 3.29Å; V223-M230 PolarHBondContact O-N 2.66Å; M230-V232 HydrophobicContact CE-CG2 3.74Å
231	K	96.2	Very high	86.4	Confident	73 Å²	73	25.1 Å²	25.1	32%	0.317	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.3	173.1	-172.6	176.5	-69.7	-169.7	0	109.5	F122 K123 F222	F122-K231 WeakPolarHBondContact CA-O 3.46Å; K123-K231 HydrophobicContact CB-CB 4.34Å; K123-K231 PolarHBondContact N-O 3.19Å; K123-K231 PolarHBondContact O-N 2.81Å; F222-K231 HydrophobicContact CD2-CB 4.04Å
232	V	96.1	Very high	84.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.6	178.1	-175.8	0	0	0	0	110.1	Q121 F122 L160 L164 V220 G221 M230	Q121-V232 WeakPolarHBondContact O-CA 3.49Å; F122-V232 HydrophobicContact CD1-CG1 4.38Å; F122-V232 HydrophobicContact CD1-CG2 3.63Å; F122-V232 HydrophobicContact CE1-CG1 4.04Å; F122-V232 HydrophobicContact CE1-CG2 3.79Å; L160-V232 HydrophobicContact CD1-CB 4.43Å; L160-V232 HydrophobicContact CD1-CG2 3.91Å; L160-V232 HydrophobicContact CD2-CG2 4.19Å; L160-V232 HydrophobicContact CG-CG2 4.47Å; L164-V232 HydrophobicContact CD2-CG1 4.24Å; V220-V232 HydrophobicContact CB-CB 4.38Å; V220-V232 HydrophobicContact CB-CG1 4.25Å; V220-V232 HydrophobicContact CG2-CG1 4.5Å; V220-V232 PolarHBondContact N-O 3.28Å; G221-V232 PolarHBondContact N-O 2.82Å; G221-V232 PolarHBondContact O-N 3Å; M230-V232 HydrophobicContact CE-CG2 3.74Å
233	K	92.9	Very high	82.8	Confident	51 Å²	51	30.9 Å²	30.9	22%	0.222	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.3	172.9	-63.5	-171.6	173.5	-162.7	0	109.9	Q121 V218	Q121-K233 HydrophobicContact CB-CB 4.36Å; Q121-K233 PolarHBondContact N-O 2.93Å; Q121-K233 PolarHBondContact O-N 3.22Å; V218-K233 CarbonylContact O-C 3.55Å; V218-K233 WeakPolarHBondContact O-CA 3.37Å
234	V	92.4	Very high	80.9	Confident	1 Å²	1	31 Å²	31	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131	175.2	-179	0	0	0	0	108.5	M119 Y120 L164 L167 M168 V218 V220	M119-V234 CarbonylContact O-C 3.6Å; M119-V234 WeakPolarHBondContact O-CA 3.22Å; Y120-V234 HydrophobicContact CD1-CB 4.37Å; Y120-V234 HydrophobicContact CD1-CG1 3.97Å; Y120-V234 HydrophobicContact CD1-CG2 3.62Å; Y120-V234 HydrophobicContact CE1-CG1 3.78Å; Y120-V234 HydrophobicContact CE1-CG2 4.03Å; L164-V234 HydrophobicContact CD2-CG2 4.38Å; L167-V234 HydrophobicContact CD2-CB 3.78Å; L167-V234 HydrophobicContact CD2-CG1 4.04Å; L167-V234 HydrophobicContact CD2-CG2 3.74Å; M168-V234 HydrophobicContact CE-CG2 4.44Å; V218-V234 PolarHBondContact N-O 2.92Å; V218-V234 PolarHBondContact O-N 3.1Å; V220-V234 HydrophobicContact CG2-CB 4.24Å; V220-V234 HydrophobicContact CG2-CG2 3.56Å
235	M	90.1	Very high	79	Confident	13 Å²	13	35.2 Å²	35.2	6%	0.064	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.5	173.6	-58.9	-175.3	-56.4	0	0	109.4	E118 M119 F211 I216 N217 I274	E118-M235 CarbonylContact C-O 3.53Å; E118-M235 WeakPolarHBondContact CA-O 3.47Å; M119-M235 HydrophobicContact CB-CB 4.33Å; M119-M235 HydrophobicContact CB-CE 4Å; M119-M235 HydrophobicContact CE-CE 3.84Å; M119-M235 HydrophobicContact CG-CE 3.96Å; M119-M235 PolarHBondContact N-O 3.47Å; M119-M235 PolarHBondContact O-N 3.05Å; M119-M235 HydrophobicContact SD-CE 3.12Å; M119-M235 WeakPolarHBondContact SD-CE 2.84Å; F211-M235 HydrophobicContact CE2-CB 4.16Å; F211-M235 HydrophobicContact CE2-CE 4.37Å; F211-M235 HydrophobicContact CZ-CB 3.75Å; I216-M235 VanDerWaalsContact O-CA 3.25Å; I216-M235 WeakPolarHBondContact O-CA 3.14Å; N217-M235 HydrophobicContact CB-CG 3.98Å; N217-M235 HydrophobicContact CB-SD 4.46Å; N217-M235 WeakPolarHBondContact ND2-CG 3.3Å; N217-M235 PolarHBondContact ND2-SD 2.55Å; M235-I274 HydrophobicContact CE-CD1 4.09Å
236	T	87.1	Confident	77.1	Confident	1 Å²	1	41 Å²	41	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	163.3	-178	-173.2	0	0	0	0	109.2	L171 S215 I216 V241	L171-T236 HydrophobicContact CD2-CG2 3.91Å; S215-T236 CarbonylContact C-O 3.47Å; S215-T236 VanDerWaalsContact CA-O 3.25Å; S215-T236 WeakPolarHBondContact CA-O 3.34Å; I216-T236 HydrophobicContact CD1-CG2 4.16Å; I216-T236 HydrophobicContact CG1-CG2 3.85Å; I216-T236 WeakPolarHBondContact CG1-O 3.06Å; I216-T236 PolarHBondContact N-O 3.43Å; I216-T236 PolarHBondContact O-N 2.66Å; T236-V241 HydrophobicContact CG2-CG2 3.48Å; T236-V241 VanDerWaalsContact CG2-CG2 3.48Å
237	E	81.4	Confident	75.3	Confident	18 Å²	18	44.9 Å²	44.9	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.2	177.4	-62.4	-178.8	149	0	0	111.1	F211 K213 T239 K240	F211-E237 HydrophobicContact CD1-CG 4.14Å; K213-E237 HydrophobicContact CB-CB 4.43Å; K213-E237 HydrophobicContact CB-CG 4.25Å; E237-T239 PolarHBondContact O-N 3.19Å; E237-T239 VanDerWaalsContact O-N 3.16Å; E237-K240 HydrophobicContact CB-CD 4.19Å; E237-K240 HydrophobicContact CB-CG 4.23Å; E237-K240 WeakPolarHBondContact O-CB 3.39Å; E237-K240 PolarHBondContact O-N 2.81Å; E237-K240 WeakPolarHBondContact OE2-CE 3.38Å; E237-K240 IonicContact OE2-NZ 2.84Å; E237-K240 PolarHBondContact OE2-NZ 2.72Å
238	A	69.6	Low	73.7	Confident	33 Å²	33	44 Å²	44	27%	0.273	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-56.9	-33.2	-175	0	0	0	0	0	113.5	E214 I216 K240 V241	E214-A238 HydrophobicContact CB-CB 4.5Å; E214-A238 WeakPolarHBondContact O-CB 3.36Å; E214-A238 PolarHBondContact O-N 3.04Å; I216-A238 HydrophobicContact CG2-CB 3.73Å; A238-K240 PolarHBondContact O-N 3.18Å; A238-V241 PolarHBondContact O-N 3.33Å
239	T	62.7	Low	71.4	Confident	71 Å²	71	50.6 Å²	50.6	44%	0.436	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.3	179.1	57.7	0	0	0	0	113.3	K213 E237 V241	K213-T239 HydrophobicContact CD-CG2 4.4Å; E237-T239 PolarHBondContact O-N 3.19Å; E237-T239 VanDerWaalsContact O-N 3.16Å; T239-V241 VanDerWaalsContact C-N 3.29Å; T239-V241 PolarHBondContact O-N 3.33Å
240	K	60.1	Low	68.8	Low	23 Å²	23	59 Å²	59	10%	0.1	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-87.4	1.5	-175.9	-59.6	-176.7	178.4	153.3	0	113.5	T117 E172 E237 A238	T117-K240 VanDerWaalsContact CG2-NZ 3.26Å; E172-K240 HydrophobicContact CB-CB 4.37Å; E172-K240 HydrophobicContact CB-CG 4.35Å; E172-K240 HydrophobicContact CG-CB 4.12Å; E172-K240 HydrophobicContact CG-CG 4.27Å; E237-K240 HydrophobicContact CB-CD 4.19Å; E237-K240 HydrophobicContact CB-CG 4.23Å; E237-K240 WeakPolarHBondContact O-CB 3.39Å; E237-K240 PolarHBondContact O-N 2.81Å; E237-K240 WeakPolarHBondContact OE2-CE 3.38Å; E237-K240 IonicContact OE2-NZ 2.84Å; E237-K240 PolarHBondContact OE2-NZ 2.72Å; A238-K240 PolarHBondContact O-N 3.18Å
241	V	60.7	Low	65.7	Low	18 Å²	18	65.8 Å²	65.8	11%	0.109	33%	0.327	C	S	.	.			trans	-141.8	71.8	-167.1	-170.4	0	0	0	0	109.2	L171 I216 T236 A238 T239 D243 L244	L171-V241 HydrophobicContact CD2-CG2 3.71Å; I216-V241 HydrophobicContact CD1-CB 3.56Å; I216-V241 HydrophobicContact CD1-CG1 3.67Å; I216-V241 HydrophobicContact CD1-CG2 3.69Å; T236-V241 HydrophobicContact CG2-CG2 3.48Å; T236-V241 VanDerWaalsContact CG2-CG2 3.48Å; A238-V241 PolarHBondContact O-N 3.33Å; T239-V241 VanDerWaalsContact C-N 3.29Å; T239-V241 PolarHBondContact O-N 3.33Å; V241-D243 PolarHBondContact O-N 3.18Å; V241-L244 HydrophobicContact CG1-CB 3.07Å; V241-L244 HydrophobicContact CG1-CD2 3.43Å; V241-L244 VanDerWaalsContact CG1-CD2 3.43Å; V241-L244 HydrophobicContact CG1-CG 3.85Å
242	T	52.8	Low	62.7	Low	122 Å²	122	66.8 Å²	66.8	75%	0.748	34%	0.336	S	S	*	.	S	Bend	trans	-76.8	-13.4	-172.4	41.3	0	0	0	0	114.9
243	D	55.3	Low	59.5	Low	113 Å²	113	71.8 Å²	71.8	60%	0.604	37%	0.371	S	S	*	.	S	Bend	trans	-139.8	7	-171.9	-70.1	-54.2	0	0	0	116.7	V241 N247	V241-D243 PolarHBondContact O-N 3.18Å; D243-N247 PolarHBondContact O-ND2 3.09Å
244	L	55.3	Low	56.4	Low	4 Å²	4	75.8 Å²	75.8	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-80.1	-34.2	-165	-172.5	78.3	0	0	0	115	L167 V218 V241 N246 N247 L248	L167-L244 HydrophobicContact CD1-CD1 3.65Å; L167-L244 HydrophobicContact CD1-CD2 3.2Å; L167-L244 HydrophobicContact CD1-CG 4.04Å; V218-L244 HydrophobicContact CB-CD2 4.47Å; V218-L244 HydrophobicContact CG1-CD2 4.11Å; V218-L244 HydrophobicContact CG2-CD2 3.67Å; V241-L244 HydrophobicContact CG1-CB 3.07Å; V241-L244 HydrophobicContact CG1-CD2 3.43Å; V241-L244 VanDerWaalsContact CG1-CD2 3.43Å; V241-L244 HydrophobicContact CG1-CG 3.85Å; L244-N246 PolarHBondContact O-N 3.43Å; L244-N247 PolarHBondContact O-N 3.32Å; L244-L248 HydrophobicContact CD1-CD1 3.69Å; L244-L248 HydrophobicContact CD1-CD2 4.41Å; L244-L248 HydrophobicContact CD1-CG 3.84Å; L244-L248 HydrophobicContact CD2-CD1 3.72Å; L244-L248 HydrophobicContact CG-CD1 3.48Å; L244-L248 VanDerWaalsContact CG-CD1 3.48Å; L244-L248 HydrophobicContact CG-CG 3.89Å; L244-L248 PolarHBondContact O-N 3.06Å; L244-L248 VanDerWaalsContact O-N 3.12Å
245	E	53.2	Low	53.4	Low	126 Å²	126	81.4 Å²	81.4	59%	0.589	43%	0.434	S	S	*	.	H	α-helix	trans	-63.7	-26.2	-178.1	-71.6	-172.5	160.8	0	0	112.2	F249	E245-F249 HydrophobicContact CB-CE2 4.48Å; E245-F249 WeakPolarHBondContact O-CD2 3.01Å
246	N	50.6	Low	50.6	Low	127 Å²	127	88.5 Å²	88.5	68%	0.679	47%	0.467	S	S	*	.	H	α-helix	trans	-83.9	-22.8	179.1	-69.9	-34.8	0	0	0	113.4	L244	L244-N246 PolarHBondContact O-N 3.43Å
247	N	50.8	Low	47.9	Very low	91 Å²	91	95.9 Å²	95.9	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-94.9	-36	-176.8	-74	-54.4	0	0	0	113	D243 L244 R250	D243-N247 PolarHBondContact O-ND2 3.09Å; L244-N247 PolarHBondContact O-N 3.32Å; N247-R250 PolarHBondContact OD1-NH1 2.95Å
248	L	55.1	Low	45.4	Very low	23 Å²	23	99.2 Å²	99.2	12%	0.12	54%	0.536	C	S	.	.	H	α-helix	trans	-75.3	-24.2	-179.2	-67.8	-177	0	0	0	114	K163 V218 L244	K163-L248 HydrophobicContact CG-CD2 4.33Å; V218-L248 HydrophobicContact CG1-CD1 3.37Å; L244-L248 HydrophobicContact CD1-CD1 3.69Å; L244-L248 HydrophobicContact CD1-CD2 4.41Å; L244-L248 HydrophobicContact CD1-CG 3.84Å; L244-L248 HydrophobicContact CD2-CD1 3.72Å; L244-L248 HydrophobicContact CG-CD1 3.48Å; L244-L248 VanDerWaalsContact CG-CD1 3.48Å; L244-L248 HydrophobicContact CG-CG 3.89Å; L244-L248 PolarHBondContact O-N 3.06Å; L244-L248 VanDerWaalsContact O-N 3.12Å
249	F	46.3	Very low	44.1	Very low	141 Å²	141	105.6 Å²	105.6	62%	0.618	56%	0.56	S	S	*	*	S	Bend	trans	-93.2	-14.7	-179	-70.4	-97	0	0	0	113.8	E245 E251 N252	E245-F249 HydrophobicContact CB-CE2 4.48Å; E245-F249 WeakPolarHBondContact O-CD2 3.01Å; F249-E251 VanDerWaalsContact C-N 3.27Å; F249-E251 PolarHBondContact O-N 3.49Å; F249-N252 PolarHBondContact O-N 2.77Å
250	R	39.1	Very low	42.9	Very low	189 Å²	189	111.1 Å²	111.1	71%	0.713	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-12.3	-175.7	-139.9	174.1	78.2	-121.1	2.8	114.5	N247	N247-R250 PolarHBondContact OD1-NH1 2.95Å
251	E	31.6	Very low	41.8	Very low	143 Å²	143	112.9 Å²	112.9	67%	0.668	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	5.4	176.6	-97.6	-170.8	166.9	0	0	114.4	F249	F249-E251 VanDerWaalsContact C-N 3.27Å; F249-E251 PolarHBondContact O-N 3.49Å
252	N	34.3	Very low	40.6	Very low	95 Å²	95	119.5 Å²	119.5	51%	0.508	64%	0.64	S	S	.	*			trans	-98.3	6.8	-175.6	-80.4	6.9	0	0	0	115.5	F249 T254	F249-N252 PolarHBondContact O-N 2.77Å; N252-T254 PolarHBondContact O-N 2.97Å
253	S	28.4	Very low	39.6	Very low	105 Å²	105	121.3 Å²	121.3	73%	0.734	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	29.1	-174.1	-44.8	0	0	0	0	115.5
254	T	28.2	Very low	38.5	Very low	135 Å²	135	120.7 Å²	120.7	83%	0.828	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.2	14.6	172.1	-3.9	0	0	0	0	117.5	N252	N252-T254 PolarHBondContact O-N 2.97Å
255	T	29.4	Very low	37.9	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	68%	0.681	S	S	*	*			trans	-138.2	58	164.3	28.9	0	0	0	0	110.7	L257	T255-L257 VanDerWaalsContact C-N 3.27Å; T255-L257 PolarHBondContact O-N 3.2Å; T255-L257 VanDerWaalsContact O-N 3.14Å
256	E	31.5	Very low	37	Very low	161 Å²	161	128.8 Å²	128.8	75%	0.752	69%	0.69	S	S	*	*			trans	-69.3	92.1	148.4	-87.2	-172.4	142.3	0	0	107.6	H259	E256-H259 IonicContact OE1-CD2 3.92Å
257	L	30.1	Very low	36.4	Very low	156 Å²	156	130 Å²	130	82%	0.817	69%	0.692	S	S	*	*			trans	-100.9	102.5	158.3	-82.5	168.1	0	0	0	107.5	T255	T255-L257 VanDerWaalsContact C-N 3.27Å; T255-L257 PolarHBondContact O-N 3.2Å; T255-L257 VanDerWaalsContact O-N 3.14Å
258	A	28.4	Very low	35.7	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	70%	0.696	S	S	*	*			trans	48.8	89.4	164.1	0	0	0	0	0	116.6	Q260	A258-Q260 VanDerWaalsContact C-N 3.34Å; A258-Q260 PolarHBondContact O-N 2.84Å
259	H	42.3	Very low	34.6	Very low	167 Å²	167	138.9 Å²	138.9	77%	0.773	73%	0.73	S	S	*	*			trans	-59.1	98.1	143	-81.5	-81.1	0	0	0	109.2	E256	E256-H259 IonicContact OE1-CD2 3.92Å
260	Q	36.9	Very low	33.7	Very low	188 Å²	188	135.7 Å²	135.7	88%	0.879	72%	0.724	S	S	*	*			trans	-154.4	105.1	155.9	-108.7	167.3	28.2	0	0	109.3	A258	A258-Q260 VanDerWaalsContact C-N 3.34Å; A258-Q260 PolarHBondContact O-N 2.84Å
261	G	37.7	Very low	33.4	Very low	60 Å²	60	132.9 Å²	132.9	62%	0.619	72%	0.723	S	S	*	*	S	Bend	trans	105.8	25.4	146.8	0	0	0	0	0	120.5
262	L	35.4	Very low	33.6	Very low	156 Å²	156	130 Å²	130	82%	0.817	71%	0.713	S	S	*	*			trans	-139	43.7	168.8	-71.9	175.2	0	0	0	114	C264	L262-C264 VanDerWaalsContact C-N 3.3Å
263	D	32.3	Very low	33.9	Very low	160 Å²	160	128.8 Å²	128.8	86%	0.856	70%	0.704	S	S	*	*			trans	-101	57.9	141.4	-81.8	-23	0	0	0	107
264	C	32.7	Very low	34.6	Very low	101 Å²	101	127.4 Å²	127.4	68%	0.682	69%	0.687	S	S	*	*			trans	-90.5	103.8	159.7	-68.4	0	0	0	0	105.6	L262 E266	L262-C264 VanDerWaalsContact C-N 3.3Å; C264-E266 PolarHBondContact O-N 2.81Å
265	D	41	Very low	34.9	Very low	130 Å²	130	127.8 Å²	127.8	70%	0.695	68%	0.68	S	S	*	*			trans	-49.2	104.2	164.8	-61.7	-46.2	0	0	0	109.3	E267	D265-E267 HydrophobicContact CB-CG 4.41Å
266	E	35.3	Very low	35.2	Very low	170 Å²	170	130.4 Å²	130.4	79%	0.794	68%	0.676	S	S	*	*			trans	-106	76.3	137.8	-70.3	-160.5	176.5	0	0	106.4	C264 E268	C264-E266 PolarHBondContact O-N 2.81Å; E266-E268 PolarHBondContact O-N 3.5Å
267	E	38.1	Very low	35	Very low	153 Å²	153	130.5 Å²	130.5	72%	0.715	68%	0.678	S	S	*	*			trans	-60.4	78.7	147.6	-64.3	-164.3	161.4	0	0	107.9	D265 E269	D265-E267 HydrophobicContact CB-CG 4.41Å; E267-E269 PolarHBondContact O-N 3.34Å
268	E	35.1	Very low	34.8	Very low	122 Å²	122	128.9 Å²	128.9	57%	0.57	67%	0.671	S	S	*	*			trans	-74.7	97.5	141.7	-78	-159.5	168.4	0	0	106	E266 C270	E266-E268 PolarHBondContact O-N 3.5Å; E268-C270 VanDerWaalsContact C-N 3.35Å; E268-C270 PolarHBondContact O-N 2.99Å
269	E	32.7	Very low	34.8	Very low	177 Å²	177	133.7 Å²	133.7	83%	0.827	68%	0.675	S	S	*	*			trans	-46.6	97.8	164.4	-75.1	-176.1	149.3	0	0	109	E267	E267-E269 PolarHBondContact O-N 3.34Å
270	C	28.1	Very low	33.9	Very low	74 Å²	74	131.4 Å²	131.4	50%	0.5	67%	0.673	S	S	.	*			trans	-89.7	117.6	141.9	-165.1	0	0	0	0	104.7	E268 D272	E268-C270 VanDerWaalsContact C-N 3.35Å; E268-C270 PolarHBondContact O-N 2.99Å; C270-D272 PolarHBondContact O-N 3.21Å; C270-D272 PolarHBondContact SG-OD1 3.3Å; C270-D272 VanDerWaalsContact SG-OD1 3.33Å
271	N	30.9	Very low	33.3	Very low	130 Å²	130	127.7 Å²	127.7	70%	0.695	67%	0.666	S	S	*	*			trans	-66.3	62.2	173.8	-170.2	7.8	0	0	0	110.2	H273	N271-H273 VanDerWaalsContact C-N 3.35Å; N271-H273 PolarHBondContact O-N 3.12Å; N271-H273 VanDerWaalsContact O-N 3.12Å; N271-H273 PolarHBondContact OD1-ND1 3.16Å; N271-H273 VanDerWaalsContact OD1-ND1 3.09Å
272	D	36.8	Very low	32.8	Very low	83 Å²	83	129.7 Å²	129.7	44%	0.444	67%	0.671	S	S	.	*			trans	-82.5	89.6	172.8	-74.5	-15.8	0	0	0	107.1	H185 C270 I274	H185-D272 IonicContact CE1-OD2 3.82Å; H185-D272 PolarHBondContact CE1-OD2 3.27Å; H185-D272 IonicContact ND1-OD2 3.99Å; H185-D272 PolarHBondContact ND1-OD2 3.39Å; C270-D272 PolarHBondContact O-N 3.21Å; C270-D272 PolarHBondContact SG-OD1 3.3Å; C270-D272 VanDerWaalsContact SG-OD1 3.33Å; D272-I274 VanDerWaalsContact C-N 3.3Å; D272-I274 PolarHBondContact O-N 3.24Å
273	H	41.3	Very low	32.4	Very low	70 Å²	70	131.1 Å²	131.1	32%	0.324	67%	0.674	S	S	.	*			trans	-51.2	87.8	170.7	-94.5	51.1	0	0	0	111.8	F208 N271	F208-H273 HydrophobicContact CD1-CB 3.04Å; F208-H273 AromaticContact CD1-CD2 3.77Å; F208-H273 AromaticContact CD1-CG 3.65Å; F208-H273 AromaticContact CD2-CD2 3.92Å; F208-H273 HydrophobicContact CE1-CB 3.07Å; F208-H273 AromaticContact CE1-CD2 3.32Å; F208-H273 WeakPolarHBondContact CE1-CD2 3.38Å; F208-H273 AromaticContact CE1-CG 3.19Å; F208-H273 AromaticContact CE1-ND1 3.93Å; F208-H273 AromaticContact CE2-CD2 3.46Å; F208-H273 VanDerWaalsContact CE2-CD2 3.46Å; F208-H273 WeakPolarHBondContact CE2-CD2 3.47Å; F208-H273 HydrophobicContact CG-CB 3.87Å; F208-H273 HydrophobicContact CZ-CB 3.9Å; F208-H273 AromaticContact CZ-CD2 3.12Å; F208-H273 WeakPolarHBondContact CZ-CD2 3.35Å; F208-H273 AromaticContact CZ-CG 3.5Å; F208-H273 AromaticContact CZ-NE2 3.59Å; N271-H273 VanDerWaalsContact C-N 3.35Å; N271-H273 PolarHBondContact O-N 3.12Å; N271-H273 VanDerWaalsContact O-N 3.12Å; N271-H273 PolarHBondContact OD1-ND1 3.16Å; N271-H273 VanDerWaalsContact OD1-ND1 3.09Å
274	I	41.4	Very low	32.1	Very low	76 Å²	76	132 Å²	132	39%	0.39	67%	0.673	S	S	.	*			trans	-109	90	149.5	-61.3	178.4	0	0	0	105	M119 M235 D272 R276	M119-I274 HydrophobicContact CE-CD1 4.08Å; M119-I274 HydrophobicContact SD-CD1 4.27Å; M235-I274 HydrophobicContact CE-CD1 4.09Å; D272-I274 VanDerWaalsContact C-N 3.3Å; D272-I274 PolarHBondContact O-N 3.24Å; I274-R276 PolarHBondContact O-N 3.18Å
275	Q	35.6	Very low	31.8	Very low	143 Å²	143	132.6 Å²	132.6	67%	0.668	68%	0.678	S	S	*	*			trans	-74.6	115.6	175	-105.5	-179.5	-1.4	0	0	109.6
276	R	34.5	Very low	31.1	Very low	174 Å²	174	131.5 Å²	131.5	66%	0.657	68%	0.68	S	S	*	*			trans	-82	108.7	166.8	-162.5	178.5	-167.6	169.8	2.7	107.5	I274 N278	I274-R276 PolarHBondContact O-N 3.18Å; R276-N278 PolarHBondContact O-N 3.44Å
277	M	27.8	Very low	30.8	Very low	162 Å²	162	131.2 Å²	131.2	80%	0.798	68%	0.679	S	S	*	*			trans	-78.6	107	168.2	-78.3	-143.4	95	0	0	109.3	F279	M277-F279 PolarHBondContact O-N 3.3Å
278	N	26.8	Very low	30.2	Very low	122 Å²	122	133.7 Å²	133.7	65%	0.652	68%	0.683	S	S	*	*			trans	-80.8	110.3	164.8	-70.4	-21	0	0	0	108.3	R276 V280	R276-N278 PolarHBondContact O-N 3.44Å; N278-V280 PolarHBondContact O-N 3.39Å
279	F	27.3	Very low	29.9	Very low	189 Å²	189	133.2 Å²	133.2	83%	0.829	69%	0.693	S	S	*	*			trans	-79	102.2	168.3	-124.4	-88.2	0	0	0	108.7	M277 C281	M277-F279 PolarHBondContact O-N 3.3Å; F279-C281 PolarHBondContact O-N 3.16Å
280	V	24.1	Very low	29.8	Very low	120 Å²	120	136.9 Å²	136.9	73%	0.727	70%	0.7	S	S	*	*			trans	-79.2	96.5	166	178.8	0	0	0	0	107.3	N278 S282	N278-V280 PolarHBondContact O-N 3.39Å; V280-S282 PolarHBondContact O-N 3.2Å; V280-S282 VanDerWaalsContact O-N 3.16Å
281	C	23.9	Very low	30	Very low	109 Å²	109	143.2 Å²	143.2	74%	0.736	72%	0.719	S	S	*	*			trans	-73.5	98.8	160.2	-170.9	0	0	0	0	107	F279 Q283	F279-C281 PolarHBondContact O-N 3.16Å; C281-Q283 VanDerWaalsContact C-N 3.34Å; C281-Q283 PolarHBondContact O-N 2.88Å
282	S	26.9	Very low	29.9	Very low	103 Å²	103	146.6 Å²	146.6	72%	0.72	73%	0.727	S	S	*	*			trans	-60.6	99.7	167.5	-84.8	0	0	0	0	108.9	V280 Q284	V280-S282 PolarHBondContact O-N 3.2Å; V280-S282 VanDerWaalsContact O-N 3.16Å; S282-Q284 PolarHBondContact O-N 3.13Å; S282-Q284 VanDerWaalsContact O-N 3.13Å
283	Q	27.8	Very low	29.5	Very low	186 Å²	186	153.1 Å²	153.1	87%	0.869	75%	0.746	S	S	*	*			trans	-63.6	104.5	149.3	-76.4	-177	-8.7	0	0	107	C281	C281-Q283 VanDerWaalsContact C-N 3.34Å; C281-Q283 PolarHBondContact O-N 2.88Å
284	Q	26.5	Very low	29	Very low	178 Å²	178	157.9 Å²	157.9	83%	0.832	77%	0.765	S	S	*	*			trans	-111.6	91.1	154.8	-140.5	171.2	13.8	0	0	106.9	S282 S286	S282-Q284 PolarHBondContact O-N 3.13Å; S282-Q284 VanDerWaalsContact O-N 3.13Å; Q284-S286 PolarHBondContact O-N 3.46Å
285	S	25.6	Very low	28.5	Very low	113 Å²	113	161.1 Å²	161.1	79%	0.79	79%	0.789	S	S	*	*			trans	-68.3	118.8	153.7	53.9	0	0	0	0	107.3
286	S	27.1	Very low	28.3	Very low	107 Å²	107	159.7 Å²	159.7	75%	0.748	79%	0.794	S	S	*	*			trans	-142.2	102.7	151.6	64.6	0	0	0	0	107.5	Q284	Q284-S286 PolarHBondContact O-N 3.46Å
287	E	27.9	Very low	28.4	Very low	165 Å²	165	160 Å²	160	77%	0.771	80%	0.803	S	S	*	*			trans	-63.7	162.5	165.9	-69.1	-174	136.1	0	0	111.2
288	Y	25.4	Very low	28.6	Very low	204 Å²	204	157.9 Å²	157.9	80%	0.8	80%	0.802	S	S	*	*			trans	80.5	97.3	168.1	-70.1	-87.2	0	0	0	118.4
289	S	28.9	Very low	28.8	Very low	112 Å²	112	158.5 Å²	158.5	78%	0.783	81%	0.809	S	S	*	*				-178.7	115.6	91.2	-79.8	0	0	0	0	112.3	K291	S289-K291 PolarHBondContact O-N 3.34Å
290	R	31.2	Very low	29.2	Very low	254 Å²	254	158.6 Å²	158.6	96%	0.958	81%	0.81	S	S	*	*			trans	-63.4	117.6	163.7	-77.5	174.7	172.4	163.9	-1.7	109.8
291	K	32.2	Very low	29.6	Very low	208 Å²	208	159.3 Å²	159.3	90%	0.904	81%	0.814	S	S	*	*			trans	-136.8	125.7	149.6	-86.4	-174.1	-179.9	171.3	0	110.8	S289	S289-K291 PolarHBondContact O-N 3.34Å
292	K	30	Very low	30	Very low	201 Å²	201	163 Å²	163	87%	0.874	82%	0.818	S	S	*	*			trans	-69.4	165.1	-179.8	-70.6	178	171.2	178.7	0	112.7
293	R	27.3	Very low	30.7	Very low	220 Å²	220	165.3 Å²	165.3	83%	0.83	82%	0.821	S	S	*	*			trans	91.7	138.1	162.1	-69.2	-176.7	156.4	163.2	-4.5	114.5
294	K	30.3	Very low	31.5	Very low	169 Å²	169	162.2 Å²	162.2	74%	0.735	82%	0.817	S	S	*	*			cis	-159	140.2	6.9	-115.8	168.3	178.1	-170.7	0	105.9
295	V	30.8	Very low	31.9	Very low	145 Å²	145	161.2 Å²	161.2	88%	0.879	82%	0.817	S	S	*	*			trans	-74.3	132.7	164.2	170.5	0	0	0	0	108.1
296	S	31.2	Very low	32.7	Very low	113 Å²	113	167.1 Å²	167.1	79%	0.79	82%	0.822	S	S	*	*			trans	-141.4	128.9	159.9	49.7	0	0	0	0	109
297	E	36.6	Very low	33.4	Very low	179 Å²	179	174.8 Å²	174.8	84%	0.836	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-58	172.1	-179.3	-94	179.6	167.5	0	0	115.6
298	P	33.1	Very low	33.7	Very low	119 Å²	119	175.3 Å²	175.3	77%	0.773	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-89.6	149.1	-155.5	35.5	-33.1	0	0	0	113.5
299	V	31.7	Very low	34.1	Very low	134 Å²	134	173.8 Å²	173.8	81%	0.812	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-97.3	117.7	169.8	175.8	0	0	0	0	109.5
300	K	34.8	Very low	34.4	Very low	191 Å²	191	177.2 Å²	177.2	83%	0.83	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-56.5	134.7	166.5	-72.9	172	174.3	175.5	0	110.4
301	V	33.4	Very low	34.6	Very low	136 Å²	136	172.7 Å²	172.7	82%	0.824	85%	0.845	S	S	*	*			trans	-117.7	124.5	162.3	180	0	0	0	0	109.5
302	F	31.2	Very low	34.7	Very low	186 Å²	186	170.5 Å²	170.5	82%	0.816	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-62	141.5	179.1	-92.9	-111	0	0	0	112.9
303	I	41	Very low	35	Very low	152 Å²	152	168.5 Å²	168.5	78%	0.779	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-87.4	129.1	161.8	-60.6	168.4	0	0	0	107.7
304	P	44.3	Very low	35.6	Very low	121 Å²	121	164.8 Å²	164.8	79%	0.786	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-93.4	123.1	166.7	32.4	-24.5	0	0	0	110.7
305	N	36.6	Very low	36	Very low	157 Å²	157	164.5 Å²	164.5	84%	0.84	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-73.5	138	165.2	-103.3	-16.1	0	0	0	111.2
306	R	41	Very low	36.4	Very low	236 Å²	236	166.1 Å²	166.1	89%	0.891	85%	0.846	S	S	*	*			trans	-165.6	128.7	150.9	-96.5	-177.5	179.9	-179.1	0.4	105.1
307	K	42.2	Very low	36.9	Very low	269 Å²	269	170.9 Å²	170.9	100%	1.17	85%	0.851	S	S	*	*			cis	-151.5	0	10.1	-107.1	179.7	174.8	-178.6	0	107

Retrieved 307 of 307 residues in 674.6 ms (Link to these results)

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