A0A5K4FG06_SCHMA Loading...

RGS domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FG06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 521 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	37.2	Very low	39.4	Very low	233 Å²	233	166.5 Å²	166.5	100%	1.148	84%	0.835	S	S	*	*				0	115.1	0	-79.4	-77.8	172.2	0	0	109
2	P	43.4	Very low	40	Very low	122 Å²	122	163.3 Å²	163.3	79%	0.792	82%	0.823	S	S	*	*			cis	-96.2	138.6	-23.9	33.7	-21.8	0	0	0	111.4
3	Q	33.7	Very low	40.2	Very low	166 Å²	166	162.5 Å²	162.5	78%	0.776	82%	0.822	S	S	*	*			trans	-91.3	118.7	171.8	-72.9	174.3	-17.9	0	0	108.2
4	T	43.8	Very low	40.8	Very low	138 Å²	138	162.9 Å²	162.9	85%	0.847	83%	0.828	S	S	*	*			trans	-106.6	109.5	171	44.6	0	0	0	0	110.2
5	Y	35.5	Very low	41.3	Very low	210 Å²	210	164.4 Å²	164.4	82%	0.824	83%	0.83	S	S	*	*			trans	-62.9	130.3	171.8	-79.7	-105.6	0	0	0	111.5
6	S	39.3	Very low	41.9	Very low	105 Å²	105	165.4 Å²	165.4	73%	0.734	83%	0.83	S	S	*	*			trans	-97.4	112.6	159.8	64.2	0	0	0	0	109.3	Y8	S6-Y8 PolarHBondContact O-N 3.41Å
7	K	37.1	Very low	42.1	Very low	208 Å²	208	159.9 Å²	159.9	90%	0.904	83%	0.825	S	S	*	*			trans	-51.9	113.9	171.9	-80.4	175.5	172	177.4	0	111
8	Y	36.5	Very low	42.2	Very low	218 Å²	218	158.4 Å²	158.4	86%	0.855	82%	0.819	S	S	*	*			trans	-76	117.9	152.5	-102.9	-96.5	0	0	0	107.1	S6	S6-Y8 PolarHBondContact O-N 3.41Å
9	N	42.6	Very low	42.6	Very low	155 Å²	155	158.2 Å²	158.2	83%	0.829	82%	0.819	S	S	*	*			trans	-97.4	107.2	170.4	-144.2	16.1	0	0	0	107.4
10	N	37.3	Very low	43.1	Very low	144 Å²	144	158.5 Å²	158.5	77%	0.77	81%	0.814	S	S	*	*			trans	-112.2	116.8	177	-152	17.5	0	0	0	104.9
11	N	46.7	Very low	43.7	Very low	132 Å²	132	159.8 Å²	159.8	71%	0.706	82%	0.816	S	S	*	*			trans	-154.9	117.1	165.6	-97.5	-15.4	0	0	0	111.5
12	N	46.6	Very low	44.8	Very low	129 Å²	129	154 Å²	154	69%	0.69	79%	0.789	S	S	*	*			trans	79.8	90	136.4	-58.1	-12	0	0	0	119.7
13	N	43	Very low	45.9	Very low	152 Å²	152	153 Å²	153	81%	0.813	79%	0.785	S	S	*	*				15	104.9	115.2	-61.6	-14.1	0	0	0	116
14	N	48.5	Very low	48	Very low	169 Å²	169	150.8 Å²	150.8	90%	0.904	77%	0.773	S	S	*	*			trans	-147.4	117.6	142.3	-91.2	-28.6	0	0	0	108.7	H16	N14-H16 PolarHBondContact O-N 3.38Å
15	H	48	Very low	50.2	Low	185 Å²	185	149.3 Å²	149.3	86%	0.856	76%	0.758	S	S	*	*			trans	-77.9	98.9	174.9	-104.5	-49.5	0	0	0	109.1
16	H	51.5	Low	52.9	Low	180 Å²	180	143.6 Å²	143.6	83%	0.833	74%	0.741	S	S	*	*			trans	-157.7	122.8	161.8	-127.1	56.1	0	0	0	110.5	N14	N14-H16 PolarHBondContact O-N 3.38Å
17	G	45.4	Very low	55.5	Low	72 Å²	72	139.1 Å²	139.1	74%	0.742	71%	0.709	S	S	*	*			trans	48.5	89	163.8	0	0	0	0	0	117.7	N19	G17-N19 VanDerWaalsContact C-N 3.26Å; G17-N19 PolarHBondContact O-N 3.22Å
18	N	43.9	Very low	58.2	Low	134 Å²	134	135.4 Å²	135.4	72%	0.717	70%	0.699	S	S	*	*			trans	-70.9	57.9	-175.1	-74.2	-33.2	0	0	0	115.7	K20	N18-K20 VanDerWaalsContact C-N 3.35Å; N18-K20 PolarHBondContact O-N 3.2Å
19	N	49.2	Very low	61	Low	153 Å²	153	131.4 Å²	131.4	82%	0.818	69%	0.686	S	S	*	*			trans	-96	70.3	154.5	-79.5	-18.3	0	0	0	108.5	G17 E21	G17-N19 VanDerWaalsContact C-N 3.26Å; G17-N19 PolarHBondContact O-N 3.22Å; N19-E21 PolarHBondContact O-N 2.97Å
20	K	52.8	Low	63.5	Low	164 Å²	164	125.8 Å²	125.8	71%	0.713	66%	0.658	S	S	*	*			trans	-62.5	94.1	163.3	-81.9	-179.8	177.8	175.3	0	107.2	N18 I22 K170	N18-K20 VanDerWaalsContact C-N 3.35Å; N18-K20 PolarHBondContact O-N 3.2Å; K20-I22 VanDerWaalsContact C-N 3.35Å; K20-I22 PolarHBondContact O-N 2.68Å; K20-K170 PolarHBondContact O-NZ 2.94Å
21	E	55.7	Low	66.2	Low	186 Å²	186	128 Å²	128	87%	0.869	66%	0.655	S	S	*	*			trans	-46.4	109.1	150.3	-80.2	-172.1	149.2	0	0	105.5	N19 S23	N19-E21 PolarHBondContact O-N 2.97Å; E21-S23 PolarHBondContact O-N 3.02Å
22	I	59.9	Low	68.5	Low	113 Å²	113	123.6 Å²	123.6	58%	0.579	63%	0.63	S	S	*	*			trans	-64.8	100.1	168.3	-65	171.9	0	0	0	102.9	K20 K24 K170	K20-I22 VanDerWaalsContact C-N 3.35Å; K20-I22 PolarHBondContact O-N 2.68Å; I22-K24 PolarHBondContact O-N 3Å; I22-K170 HydrophobicContact CD1-CD 4.27Å; I22-K170 HydrophobicContact CD1-CG 3.95Å
23	S	67.1	Low	70.7	Confident	100 Å²	100	118.9 Å²	118.9	70%	0.699	61%	0.605	S	S	*	*			trans	-52.2	112.8	174.5	49.1	0	0	0	0	106.4	E21 I25	E21-S23 PolarHBondContact O-N 3.02Å; S23-I25 PolarHBondContact O-N 3.44Å
24	K	78.3	Confident	73.2	Confident	120 Å²	120	112.8 Å²	112.8	52%	0.522	57%	0.572	S	S	.	*			trans	-53.1	114.9	-178.4	-70.5	-174.6	-159.9	-169.6	0	107	I22 I26 L33 E165	I22-K24 PolarHBondContact O-N 3Å; K24-I26 PolarHBondContact O-N 3.24Å; K24-I26 VanDerWaalsContact O-N 3.14Å; K24-L33 HydrophobicContact CB-CD1 3.59Å; K24-L33 HydrophobicContact CD-CD1 4.04Å; K24-L33 HydrophobicContact CG-CD1 4.05Å; K24-E165 VanDerWaalsContact CD-OE1 3.23Å; K24-E165 WeakPolarHBondContact CD-OE1 3.32Å; K24-E165 WeakPolarHBondContact CE-OE1 3.34Å; K24-E165 IonicContact NZ-OE1 2.75Å; K24-E165 PolarHBondContact NZ-OE1 2.76Å; K24-E165 IonicContact NZ-OE2 2.7Å; K24-E165 PolarHBondContact NZ-OE2 2.93Å
25	I	89.5	Confident	75.4	Confident	106 Å²	106	106.6 Å²	106.6	54%	0.544	54%	0.537	S	S	.	.			trans	-71.8	116.6	-177.9	-57.8	175.9	0	0	0	106.2	S23 L34	S23-I25 PolarHBondContact O-N 3.44Å; I25-L34 HydrophobicContact CB-CB 4.29Å; I25-L34 HydrophobicContact CB-CD2 4.33Å; I25-L34 HydrophobicContact CG2-CB 4.23Å; I25-L34 HydrophobicContact CG2-CD2 3.69Å; I25-L34 WeakPolarHBondContact O-CB 3.28Å; I25-L34 PolarHBondContact O-N 2.82Å
26	I	92.6	Very high	77.7	Confident	90 Å²	90	99.4 Å²	99.4	46%	0.462	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-92.6	131.4	175.3	-63.8	176.1	0	0	0	107.8	K24 N28 R31 Q32	K24-I26 PolarHBondContact O-N 3.24Å; K24-I26 VanDerWaalsContact O-N 3.14Å; I26-N28 PolarHBondContact O-N 3.35Å; I26-R31 HydrophobicContact CG2-CB 4.45Å; I26-Q32 WeakPolarHBondContact CA-O 3.21Å
27	D	93.8	Very high	79.8	Confident	11 Å²	11	95.1 Å²	95.1	6%	0.059	48%	0.484	C	S	.	.			trans	-67.3	114.3	170.8	177.4	41.1	0	0	0	110.1	K29 T30 R31 Q32 L81 R86	D27-K29 PolarHBondContact O-N 3.29Å; D27-T30 WeakPolarHBondContact CB-OG1 3.33Å; D27-T30 PolarHBondContact O-N 2.79Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.33Å; D27-T30 PolarHBondContact OD2-N 2.88Å; D27-T30 PolarHBondContact OD2-OG1 3.45Å; D27-R31 VanDerWaalsContact O-CA 3.31Å; D27-R31 WeakPolarHBondContact O-CA 3.15Å; D27-R31 PolarHBondContact O-N 3.36Å; D27-Q32 PolarHBondContact N-O 3.15Å; D27-L81 HydrophobicContact CB-CD2 3.59Å; D27-R86 VanDerWaalsContact CG-NH2 3.28Å; D27-R86 IonicContact OD1-CZ 3.55Å; D27-R86 IonicContact OD1-NE 2.76Å; D27-R86 IonicContact OD1-NH2 3.73Å; D27-R86 PolarHBondContact OD1-NH2 3.28Å; D27-R86 IonicContact OD2-CZ 3.76Å; D27-R86 IonicContact OD2-NE 3.65Å; D27-R86 PolarHBondContact OD2-NE 2.84Å; D27-R86 IonicContact OD2-NH2 2.64Å; D27-R86 PolarHBondContact OD2-NH2 3.2Å
28	N	92.9	Very high	82.3	Confident	131 Å²	131	92 Å²	92	70%	0.701	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.3	-175.1	-70.5	-14.3	0	0	0	114	I26	I26-N28 PolarHBondContact O-N 3.35Å
29	K	95.3	Very high	84.8	Confident	133 Å²	133	90.1 Å²	90.1	58%	0.578	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-47.7	-177	-172.3	-166.3	173.3	-153.1	0	112.1	D27 E101	D27-K29 PolarHBondContact O-N 3.29Å; K29-E101 IonicContact NZ-OE1 3.15Å; K29-E101 PolarHBondContact NZ-OE1 2.74Å; K29-E101 VanDerWaalsContact NZ-OE1 3.09Å
30	T	94.7	Very high	87	Confident	38 Å²	38	83 Å²	83	23%	0.233	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-12.9	-171.8	56.5	0	0	0	0	112.8	D27 Q32 L81	D27-T30 WeakPolarHBondContact CB-OG1 3.33Å; D27-T30 PolarHBondContact O-N 2.79Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.33Å; D27-T30 PolarHBondContact OD2-N 2.88Å; D27-T30 PolarHBondContact OD2-OG1 3.45Å; T30-Q32 PolarHBondContact O-N 3.48Å; T30-Q32 VanDerWaalsContact O-N 3.17Å; T30-Q32 PolarHBondContact OG1-N 2.83Å; T30-L81 HydrophobicContact CG2-CD1 3.86Å
31	R	95	Very high	89	Confident	191 Å²	191	78 Å²	78	72%	0.721	37%	0.374	S	S	*	.			trans	56.9	19.8	-170.5	-54.8	-60.8	-170	168.1	3.1	113.5	I26 D27	I26-R31 HydrophobicContact CG2-CB 4.45Å; D27-R31 VanDerWaalsContact O-CA 3.31Å; D27-R31 WeakPolarHBondContact O-CA 3.15Å; D27-R31 PolarHBondContact O-N 3.36Å
32	Q	93.9	Very high	90.9	Very high	38 Å²	38	69.2 Å²	69.2	18%	0.178	33%	0.333	C	S	.	.			trans	-91.5	158.3	176.4	-66.7	178.8	-18	0	0	111.4	I26 D27 T30 L34 L81 I82 D83	I26-Q32 WeakPolarHBondContact CA-O 3.21Å; D27-Q32 PolarHBondContact N-O 3.15Å; T30-Q32 PolarHBondContact O-N 3.48Å; T30-Q32 VanDerWaalsContact O-N 3.17Å; T30-Q32 PolarHBondContact OG1-N 2.83Å; Q32-L34 PolarHBondContact O-N 3.2Å; Q32-L81 HydrophobicContact CB-CB 4.33Å; Q32-I82 HydrophobicContact CB-CD1 4.32Å; Q32-D83 PolarHBondContact NE2-OD1 3.32Å; Q32-D83 PolarHBondContact OE1-OD1 2.99Å
33	L	93.9	Very high	92.5	Very high	30 Å²	30	64.2 Å²	64.2	16%	0.157	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-62.6	128.5	171.7	-175.7	62.4	0	0	0	110.5	K24 F35 I82 E165	K24-L33 HydrophobicContact CB-CD1 3.59Å; K24-L33 HydrophobicContact CD-CD1 4.04Å; K24-L33 HydrophobicContact CG-CD1 4.05Å; L33-F35 HydrophobicContact CB-CE2 4.25Å; L33-F35 HydrophobicContact CD2-CE1 4.25Å; L33-F35 HydrophobicContact CD2-CE2 3.95Å; L33-F35 HydrophobicContact CD2-CZ 3.73Å; L33-F35 HydrophobicContact CG-CD2 4.46Å; L33-F35 HydrophobicContact CG-CE2 4.12Å; L33-F35 HydrophobicContact CG-CZ 4.39Å; L33-I82 HydrophobicContact CB-CD1 4.06Å; L33-I82 HydrophobicContact CB-CG1 4.08Å; L33-E165 HydrophobicContact CD2-CB 4.12Å; L33-E165 HydrophobicContact CD2-CG 3.92Å
34	L	95.2	Very high	93.9	Very high	24 Å²	24	63.5 Å²	63.5	13%	0.126	29%	0.292	C	S	.	.			trans	-92	110.2	174.7	-178.8	66.6	0	0	0	109.8	I25 Q32 F36 Q37 Y79 L81	I25-L34 HydrophobicContact CB-CB 4.29Å; I25-L34 HydrophobicContact CB-CD2 4.33Å; I25-L34 HydrophobicContact CG2-CB 4.23Å; I25-L34 HydrophobicContact CG2-CD2 3.69Å; I25-L34 WeakPolarHBondContact O-CB 3.28Å; I25-L34 PolarHBondContact O-N 2.82Å; Q32-L34 PolarHBondContact O-N 3.2Å; L34-F36 WeakPolarHBondContact CD1-O 3.35Å; L34-Q37 HydrophobicContact CD2-CB 4.3Å; L34-Y79 HydrophobicContact CD1-CD1 3.83Å; L34-Y79 HydrophobicContact CD1-CG 4.29Å; L34-Y79 HydrophobicContact CD2-CD1 4.32Å; L34-L81 HydrophobicContact CD1-CD2 3.84Å
35	F	94.7	Very high	94.7	Very high	40 Å²	40	59.4 Å²	59.4	18%	0.175	28%	0.275	C	S	.	.			trans	-80.9	-38.9	178.1	-74	-94.3	0	0	0	112.4	L33 F80 I82 L151 L163 H164	L33-F35 HydrophobicContact CB-CE2 4.25Å; L33-F35 HydrophobicContact CD2-CE1 4.25Å; L33-F35 HydrophobicContact CD2-CE2 3.95Å; L33-F35 HydrophobicContact CD2-CZ 3.73Å; L33-F35 HydrophobicContact CG-CD2 4.46Å; L33-F35 HydrophobicContact CG-CE2 4.12Å; L33-F35 HydrophobicContact CG-CZ 4.39Å; F35-F80 PolarHBondContact N-O 3.49Å; F35-I82 HydrophobicContact CE2-CG1 3.83Å; F35-L151 HydrophobicContact CB-CD2 4.4Å; F35-L163 HydrophobicContact CB-CD1 4.1Å; F35-L163 HydrophobicContact CD1-CB 4.45Å; F35-L163 HydrophobicContact CD1-CD1 4.42Å; F35-L163 HydrophobicContact CD2-CB 4Å; F35-L163 HydrophobicContact CD2-CD1 3.88Å; F35-L163 HydrophobicContact CE1-CB 4.15Å; F35-L163 HydrophobicContact CE2-CB 3.68Å; F35-L163 HydrophobicContact CE2-CD1 4.42Å; F35-L163 HydrophobicContact CG-CB 4.37Å; F35-L163 HydrophobicContact CG-CD1 3.87Å; F35-L163 HydrophobicContact CZ-CB 3.76Å; F35-L163 VanDerWaalsContact CZ-O 3.31Å; F35-L163 WeakPolarHBondContact CZ-O 3.37Å; F35-H164 VanDerWaalsContact CE1-O 3.32Å; F35-H164 WeakPolarHBondContact CE1-O 3.21Å
36	F	96	Very high	95.1	Very high	34 Å²	34	57.3 Å²	57.3	15%	0.149	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	146.7	-176.8	-176.6	-123	0	0	0	111.6	L34 C38 F80 D144 I147 I148 L151	L34-F36 WeakPolarHBondContact CD1-O 3.35Å; F36-C38 HydrophobicContact CD1-CB 4.4Å; F36-C38 HydrophobicContact CE1-CB 3.58Å; F36-C38 HydrophobicContact CZ-CB 3.74Å; F36-F80 HydrophobicContact CB-CB 4.07Å; F36-F80 HydrophobicContact CB-CD2 4.15Å; F36-F80 HydrophobicContact CB-CG 4.31Å; F36-F80 AromaticContact CD1-CD2 3.67Å; F36-F80 HydrophobicContact CD1-CD2 3.67Å; F36-F80 AromaticContact CD1-CE2 3.91Å; F36-F80 HydrophobicContact CD1-CE2 3.91Å; F36-F80 HydrophobicContact CD1-CG 4.35Å; F36-F80 HydrophobicContact CE1-CE2 4.47Å; F36-F80 HydrophobicContact CG-CD2 4.35Å; F36-F80 PolarHBondContact O-N 3.27Å; F36-D144 HydrophobicContact CZ-CB 4.3Å; F36-I147 HydrophobicContact CB-CG2 4.37Å; F36-I147 HydrophobicContact CD1-CG2 3.71Å; F36-I147 HydrophobicContact CD2-CG2 3.84Å; F36-I147 HydrophobicContact CE1-CB 4.18Å; F36-I147 HydrophobicContact CE1-CG2 3.84Å; F36-I147 HydrophobicContact CE2-CB 4.48Å; F36-I147 HydrophobicContact CE2-CD1 3.8Å; F36-I147 HydrophobicContact CE2-CG2 3.97Å; F36-I147 HydrophobicContact CG-CG2 3.72Å; F36-I147 HydrophobicContact CZ-CB 4.16Å; F36-I147 HydrophobicContact CZ-CD1 3.95Å; F36-I147 HydrophobicContact CZ-CG2 3.97Å; F36-I148 HydrophobicContact CD1-CG1 4.24Å; F36-I148 HydrophobicContact CE1-CD1 4.48Å; F36-I148 HydrophobicContact CE1-CG1 3.88Å; F36-L151 HydrophobicContact CB-CD1 3.5Å; F36-L151 VanDerWaalsContact CB-CD1 3.5Å; F36-L151 HydrophobicContact CD1-CD1 4.23Å; F36-L151 HydrophobicContact CG-CD1 4.17Å
37	Q	96.2	Very high	95.3	Very high	90 Å²	90	57.7 Å²	57.7	42%	0.421	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.8	173.6	-178.5	-173.3	-50.3	0	0	109.4	L34 I77 T78 Y79	L34-Q37 HydrophobicContact CD2-CB 4.3Å; Q37-I77 HydrophobicContact CG-CG2 3.8Å; Q37-T78 VanDerWaalsContact CA-O 3.32Å; Q37-T78 WeakPolarHBondContact CA-O 3.33Å; Q37-Y79 HydrophobicContact CB-CD1 4.49Å; Q37-Y79 HydrophobicContact CG-CD1 4.04Å; Q37-Y79 HydrophobicContact CG-CE1 4.01Å; Q37-Y79 VanDerWaalsContact OE1-CE1 3.24Å
38	C	97.1	Very high	95.5	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	167.8	176.5	70.6	0	0	0	0	112.8	F36 T78	F36-C38 HydrophobicContact CD1-CB 4.4Å; F36-C38 HydrophobicContact CE1-CB 3.58Å; F36-C38 HydrophobicContact CZ-CB 3.74Å; C38-T78 PolarHBondContact N-O 3.01Å; C38-T78 PolarHBondContact O-N 3.47Å
39	Y	96.5	Very high	95.7	Very high	95 Å²	95	59 Å²	59	37%	0.373	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.3	173.4	-69.4	-84	0	0	0	110	C76 I77 K90	Y39-C76 WeakPolarHBondContact CA-O 3.38Å; Y39-I77 HydrophobicContact CD1-CG1 3.76Å; Y39-I77 HydrophobicContact CE1-CD1 3.81Å; Y39-I77 HydrophobicContact CE1-CG1 3.5Å; Y39-I77 VanDerWaalsContact CE1-CG1 3.5Å; Y39-K90 HydrophobicContact CE1-CD 4.05Å
40	L	95.9	Very high	95.6	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153.1	176.6	-59.6	-175.2	0	0	0	111.2	K75 C76 T78 F120 Y137 Q138 C139 I148	L40-K75 WeakPolarHBondContact O-CA 3.46Å; L40-C76 PolarHBondContact N-O 3.48Å; L40-C76 PolarHBondContact O-N 3.49Å; L40-C76 PolarHBondContact O-SG 3.09Å; L40-T78 HydrophobicContact CD1-CG2 4.07Å; L40-T78 WeakPolarHBondContact CD1-OG1 3.38Å; L40-T78 WeakPolarHBondContact CG-OG1 3.32Å; L40-F120 HydrophobicContact CD1-CZ 4.04Å; L40-F120 HydrophobicContact CD2-CE1 4.04Å; L40-F120 HydrophobicContact CD2-CZ 4.37Å; L40-Y137 HydrophobicContact CD1-CD1 3.98Å; L40-Q138 CarbonylContact C-O 3.52Å; L40-Q138 WeakPolarHBondContact CA-O 3.37Å; L40-C139 HydrophobicContact CD2-CB 4.33Å; L40-C139 WeakPolarHBondContact CD2-SG 3.11Å; L40-I148 HydrophobicContact CD2-CD1 4.11Å
41	K	95	Very high	95.5	Very high	57 Å²	57	64.9 Å²	64.9	25%	0.248	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.6	164.2	-78.1	177	-171.2	174.6	0	108.4	K73 S74 K75 Q138	K41-K73 HydrophobicContact CB-CB 4.11Å; K41-K73 HydrophobicContact CB-CD 4.4Å; K41-K73 HydrophobicContact CD-CB 4.19Å; K41-K73 HydrophobicContact CD-CD 3.97Å; K41-K73 HydrophobicContact CG-CB 4.25Å; K41-S74 VanDerWaalsContact CA-O 3.3Å; K41-S74 WeakPolarHBondContact CA-O 3.26Å; K41-K75 HydrophobicContact CG-CG 4.26Å; K41-Q138 HydrophobicContact CB-CB 3.99Å; K41-Q138 PolarHBondContact N-O 2.92Å; K41-Q138 PolarHBondContact O-N 3.45Å
42	L	94.5	Very high	95.6	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.2	175.3	-52.9	-175.5	0	0	0	109.3	S74 C76 P97 F98 Y137	L42-S74 WeakPolarHBondContact CD1-OG 3.41Å; L42-S74 PolarHBondContact N-O 3.44Å; L42-C76 VanDerWaalsContact CD2-SG 3.59Å; L42-P97 HydrophobicContact CD1-CB 3.81Å; L42-F98 HydrophobicContact CB-CE2 4.13Å; L42-F98 HydrophobicContact CB-CZ 3.97Å; L42-F98 HydrophobicContact CD2-CE2 4.42Å; L42-Y137 HydrophobicContact CD2-CD1 3.5Å; L42-Y137 HydrophobicContact CD2-CE1 3.28Å
43	I	94.7	Very high	95.8	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-67.1	179.9	-62.5	173	0	0	0	110.1	K73 L119 L136 Q138	I43-K73 HydrophobicContact CG1-CD 4.4Å; I43-L119 HydrophobicContact CD1-CD2 3.48Å; I43-L119 VanDerWaalsContact CD1-CD2 3.48Å; I43-L136 HydrophobicContact CB-CB 4.25Å; I43-L136 HydrophobicContact CB-CD2 4.06Å; I43-L136 HydrophobicContact CB-CG 3.97Å; I43-L136 WeakPolarHBondContact CB-O 3.44Å; I43-L136 HydrophobicContact CD1-CD2 4.08Å; I43-L136 HydrophobicContact CD1-CG 3.9Å; I43-L136 HydrophobicContact CG1-CG 4.47Å; I43-L136 HydrophobicContact CG2-CD2 3.74Å; I43-L136 HydrophobicContact CG2-CG 4.24Å; I43-L136 PolarHBondContact N-O 3Å; I43-Q138 HydrophobicContact CD1-CB 3.86Å; I43-Q138 HydrophobicContact CG1-CB 4.36Å
44	K	95.5	Very high	96	Very high	84 Å²	84	62.4 Å²	62.4	37%	0.365	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	149.5	-177.3	-168.4	59.9	174.9	178.7	0	111.8	Y66 L136	K44-Y66 HydrophobicContact CB-CD1 4.36Å; K44-Y66 HydrophobicContact CB-CD2 3.74Å; K44-Y66 HydrophobicContact CB-CE2 3.9Å; K44-Y66 HydrophobicContact CB-CG 3.99Å; K44-Y66 HydrophobicContact CG-CD1 4.07Å; K44-Y66 HydrophobicContact CG-CD2 3.88Å; K44-Y66 HydrophobicContact CG-CE1 3.75Å; K44-Y66 HydrophobicContact CG-CE2 3.55Å; K44-Y66 HydrophobicContact CG-CG 4.14Å; K44-Y66 VanDerWaalsContact CG-CZ 3.48Å; K44-L136 PolarHBondContact O-N 2.98Å
45	Q	96.2	Very high	96.1	Very high	34 Å²	34	63.4 Å²	63.4	16%	0.159	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.8	166.4	178.7	-178.9	50.5	0	0	108.6	F47 F98 Y134 E135	Q45-F47 HydrophobicContact CG-CE2 4.17Å; Q45-F47 HydrophobicContact CG-CZ 4.2Å; Q45-F47 VanDerWaalsContact OE1-CZ 3.25Å; Q45-F98 HydrophobicContact CB-CB 4.43Å; Q45-F98 HydrophobicContact CB-CD1 3.67Å; Q45-F98 HydrophobicContact CB-CD2 4.01Å; Q45-F98 HydrophobicContact CB-CE1 3.86Å; Q45-F98 HydrophobicContact CB-CE2 4.17Å; Q45-F98 HydrophobicContact CB-CG 3.77Å; Q45-F98 HydrophobicContact CB-CZ 4.12Å; Q45-F98 HydrophobicContact CG-CG 4.48Å; Q45-Y134 CarbonylContact C-O 3.57Å; Q45-Y134 VanDerWaalsContact CA-O 3.3Å; Q45-Y134 WeakPolarHBondContact CA-O 3.37Å; Q45-E135 HydrophobicContact CB-CG 4.22Å; Q45-E135 HydrophobicContact CG-CG 3.87Å; Q45-E135 PolarHBondContact NE2-OE1 3.32Å
46	K	97.3	Very high	96.2	Very high	63 Å²	63	65.1 Å²	65.1	27%	0.274	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.3	168.9	178.3	178.8	174.3	-171	0	109	L62 S133 Y134	K46-L62 HydrophobicContact CB-CD1 4.31Å; K46-L62 HydrophobicContact CB-CD2 4.49Å; K46-L62 HydrophobicContact CD-CD1 3.83Å; K46-L62 HydrophobicContact CD-CD2 3.33Å; K46-L62 HydrophobicContact CD-CG 4.2Å; K46-L62 HydrophobicContact CG-CD2 4.49Å; K46-S133 CarbonylContact O-C 3.54Å; K46-S133 WeakPolarHBondContact O-CA 3.36Å; K46-S133 WeakPolarHBondContact O-CB 3.34Å; K46-Y134 PolarHBondContact N-O 3.33Å; K46-Y134 PolarHBondContact O-N 3.07Å
47	F	97.9	Very high	96.3	Very high	97 Å²	97	71.7 Å²	71.7	43%	0.425	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.6	170.1	-66.9	-77.5	0	0	0	110.4	Q45 K131 R132	Q45-F47 HydrophobicContact CG-CE2 4.17Å; Q45-F47 HydrophobicContact CG-CZ 4.2Å; Q45-F47 VanDerWaalsContact OE1-CZ 3.25Å; F47-K131 HydrophobicContact CD1-CB 4.16Å; F47-K131 HydrophobicContact CD1-CD 4.22Å; F47-K131 HydrophobicContact CE1-CB 4.23Å; F47-K131 HydrophobicContact CE1-CD 4.12Å; F47-R132 WeakPolarHBondContact CA-O 3.22Å
48	L	98	Very high	96.3	Very high	16 Å²	16	69.6 Å²	69.6	8%	0.084	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-91.9	146.7	174.6	-67.3	171.4	0	0	0	110.4	E52 F54 R132 Y134	L48-E52 WeakPolarHBondContact CA-OE2 3.4Å; L48-E52 HydrophobicContact CB-CB 4.04Å; L48-E52 HydrophobicContact CD2-CB 3.97Å; L48-E52 WeakPolarHBondContact CD2-OE2 3.31Å; L48-E52 HydrophobicContact CG-CB 4.47Å; L48-F54 HydrophobicContact CD1-CD1 3.39Å; L48-F54 HydrophobicContact CD1-CE1 3.27Å; L48-F54 HydrophobicContact CD1-CG 4.19Å; L48-F54 HydrophobicContact CD1-CZ 3.98Å; L48-F54 HydrophobicContact CG-CE1 4.41Å; L48-R132 HydrophobicContact CB-CB 4.13Å; L48-R132 HydrophobicContact CD1-CB 4.13Å; L48-R132 PolarHBondContact N-O 3.05Å; L48-Y134 HydrophobicContact CD1-CD2 4.13Å; L48-Y134 HydrophobicContact CD1-CE2 3.79Å; L48-Y134 HydrophobicContact CD2-CD2 3.82Å; L48-Y134 HydrophobicContact CD2-CE2 3.54Å; L48-Y134 HydrophobicContact CG-CD2 4.04Å; L48-Y134 HydrophobicContact CG-CE2 4Å
49	K	97.1	Very high	96.4	Very high	153 Å²	153	69.3 Å²	69.3	67%	0.665	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-66.8	159.5	168.4	-60.4	-179.5	179.6	-178.3	0	109.8	N51 E52 R132	K49-N51 PolarHBondContact O-N 3.41Å; K49-E52 HydrophobicContact CB-CG 4Å; K49-E52 PolarHBondContact N-OE2 3.44Å; K49-E52 PolarHBondContact O-N 3.29Å; K49-R132 PolarHBondContact O-NH2 3.26Å
50	N	91.8	Very high	96.4	Very high	140 Å²	140	66.8 Å²	66.8	75%	0.749	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.4	-174.9	-69	0.4	0	0	0	114.7	R132	N50-R132 PolarHBondContact O-NH2 2.99Å
51	N	93.6	Very high	96.5	Very high	156 Å²	156	71.5 Å²	71.5	83%	0.834	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.2	-179.9	-60.2	-5.6	0	0	0	113.4	K49	K49-N51 PolarHBondContact O-N 3.41Å
52	E	96.8	Very high	96.6	Very high	60 Å²	60	68.9 Å²	68.9	28%	0.28	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-81.9	123.3	-178.4	-72	173.5	172.7	0	0	111.5	L48 K49 R132	L48-E52 WeakPolarHBondContact CA-OE2 3.4Å; L48-E52 HydrophobicContact CB-CB 4.04Å; L48-E52 HydrophobicContact CD2-CB 3.97Å; L48-E52 WeakPolarHBondContact CD2-OE2 3.31Å; L48-E52 HydrophobicContact CG-CB 4.47Å; K49-E52 HydrophobicContact CB-CG 4Å; K49-E52 PolarHBondContact N-OE2 3.44Å; K49-E52 PolarHBondContact O-N 3.29Å; E52-R132 PolarHBondContact O-NE 3.17Å; E52-R132 PolarHBondContact O-NH1 3.43Å; E52-R132 PolarHBondContact O-NH2 3.27Å
53	I	96.9	Very high	96.7	Very high	117 Å²	117	69.1 Å²	69.1	60%	0.6	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-86.5	156.7	174.3	60	168.1	0	0	0	111.6	T55	I53-T55 HydrophobicContact CD1-CG2 3.99Å; I53-T55 HydrophobicContact CG1-CG2 3.8Å; I53-T55 PolarHBondContact O-N 3.07Å
54	F	98.1	Very high	96.7	Very high	30 Å²	30	73.3 Å²	73.3	13%	0.132	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-69.2	122.8	168.3	-64.9	-63.2	0	0	0	109.4	L48 K108 C123 I125 R132 Y134	L48-F54 HydrophobicContact CD1-CD1 3.39Å; L48-F54 HydrophobicContact CD1-CE1 3.27Å; L48-F54 HydrophobicContact CD1-CG 4.19Å; L48-F54 HydrophobicContact CD1-CZ 3.98Å; L48-F54 HydrophobicContact CG-CE1 4.41Å; F54-K108 HydrophobicContact CD2-CB 4.45Å; F54-K108 HydrophobicContact CE2-CB 4.39Å; F54-K108 HydrophobicContact CE2-CG 4.46Å; F54-C123 HydrophobicContact CB-CB 4.47Å; F54-C123 HydrophobicContact CD1-CB 3.5Å; F54-C123 VanDerWaalsContact CD1-SG 3.52Å; F54-C123 HydrophobicContact CD2-CB 3.97Å; F54-C123 HydrophobicContact CE1-CB 3.53Å; F54-C123 HydrophobicContact CE2-CB 3.99Å; F54-C123 HydrophobicContact CG-CB 3.74Å; F54-C123 HydrophobicContact CZ-CB 3.79Å; F54-I125 HydrophobicContact CE2-CD1 4.26Å; F54-I125 HydrophobicContact CE2-CG1 3.82Å; F54-I125 HydrophobicContact CZ-CG1 4.37Å; F54-R132 HydrophobicContact CE2-CB 4.4Å; F54-R132 HydrophobicContact CZ-CB 3.84Å; F54-Y134 WeakPolarHBondContact CA-OH 3.39Å; F54-Y134 HydrophobicContact CD1-CD1 4.36Å; F54-Y134 HydrophobicContact CD1-CD2 4.28Å; F54-Y134 AromaticContact CD1-CE1 3.95Å; F54-Y134 HydrophobicContact CD1-CE1 3.95Å; F54-Y134 AromaticContact CD1-CE2 3.82Å; F54-Y134 HydrophobicContact CD1-CE2 3.82Å; F54-Y134 AromaticContact CD1-CZ 3.67Å; F54-Y134 HydrophobicContact CE1-CD2 4.37Å; F54-Y134 HydrophobicContact CE1-CE2 4.33Å
55	T	97.5	Very high	96.7	Very high	45 Å²	45	73.1 Å²	73.1	28%	0.276	34%	0.344	S	S	.	.			trans	-127.9	153.6	171.8	69.7	0	0	0	0	111	I53 N58 A59 Y134	I53-T55 HydrophobicContact CD1-CG2 3.99Å; I53-T55 HydrophobicContact CG1-CG2 3.8Å; I53-T55 PolarHBondContact O-N 3.07Å; T55-N58 PolarHBondContact O-N 3.11Å; T55-N58 VanDerWaalsContact OG1-CB 3.28Å; T55-N58 WeakPolarHBondContact OG1-CB 2.84Å; T55-N58 VanDerWaalsContact OG1-CG 3.22Å; T55-N58 PolarHBondContact OG1-N 3.26Å; T55-N58 VanDerWaalsContact OG1-N 3.15Å; T55-N58 PolarHBondContact OG1-ND2 3.29Å; T55-A59 PolarHBondContact O-N 2.95Å; T55-Y134 PolarHBondContact N-OH 2.87Å; T55-Y134 PolarHBondContact O-OH 3.26Å
56	E	97.1	Very high	96.6	Very high	76 Å²	76	72.5 Å²	72.5	36%	0.355	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-43.1	173.2	-173.8	-173.3	134	0	0	111.3	N58 A59 I60 F111 F287	E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3.03Å; E56-A59 WeakPolarHBondContact O-CA 3.25Å; E56-A59 WeakPolarHBondContact O-CB 3.39Å; E56-A59 PolarHBondContact O-N 2.85Å; E56-I60 HydrophobicContact CG-CD1 4.17Å; E56-I60 WeakPolarHBondContact O-CG1 3.19Å; E56-I60 PolarHBondContact O-N 2.86Å; E56-F111 HydrophobicContact CB-CE1 4.11Å; E56-F111 HydrophobicContact CB-CZ 4.46Å; E56-F111 HydrophobicContact CG-CE1 4.2Å; E56-F287 VanDerWaalsContact CD-CD2 3.5Å; E56-F287 HydrophobicContact CG-CB 4.35Å; E56-F287 HydrophobicContact CG-CD1 4.35Å; E56-F287 HydrophobicContact CG-CD2 3.92Å; E56-F287 HydrophobicContact CG-CE2 4.32Å; E56-F287 HydrophobicContact CG-CG 3.92Å; E56-F287 WeakPolarHBondContact OE1-CD2 3.45Å; E56-F287 WeakPolarHBondContact OE1-CG 3.38Å
57	Y	97.5	Very high	96.4	Very high	172 Å²	172	71.8 Å²	71.8	68%	0.675	34%	0.339	S	S	*	.	H	α-helix	trans	-53.4	-47.1	175.5	177.7	-94.4	0	0	0	112.1	A59 I60 Y61	Y57-A59 VanDerWaalsContact C-N 3.33Å; Y57-A59 PolarHBondContact O-N 2.84Å; Y57-I60 PolarHBondContact O-N 3.29Å; Y57-Y61 WeakPolarHBondContact O-CB 3.2Å; Y57-Y61 PolarHBondContact O-N 2.92Å
58	N	97.7	Very high	96	Very high	45 Å²	45	75.3 Å²	75.3	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-37.9	176.8	-77.7	-19	0	0	0	111.9	T55 E56 Y61 L62 Y134	T55-N58 PolarHBondContact O-N 3.11Å; T55-N58 VanDerWaalsContact OG1-CB 3.28Å; T55-N58 WeakPolarHBondContact OG1-CB 2.84Å; T55-N58 VanDerWaalsContact OG1-CG 3.22Å; T55-N58 PolarHBondContact OG1-N 3.26Å; T55-N58 VanDerWaalsContact OG1-N 3.15Å; T55-N58 PolarHBondContact OG1-ND2 3.29Å; E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3.03Å; N58-Y61 PolarHBondContact O-N 2.9Å; N58-L62 WeakPolarHBondContact O-CB 3.2Å; N58-L62 WeakPolarHBondContact O-CG 3.44Å; N58-L62 PolarHBondContact O-N 3.26Å; N58-Y134 HydrophobicContact CB-CE2 4.21Å; N58-Y134 WeakPolarHBondContact CB-OH 3.4Å
59	A	98.3	Very high	95.4	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.1	-44.8	176.4	0	0	0	0	0	111.7	T55 E56 Y57 L62 L63 F111 M121 Y134	T55-A59 PolarHBondContact O-N 2.95Å; E56-A59 WeakPolarHBondContact O-CA 3.25Å; E56-A59 WeakPolarHBondContact O-CB 3.39Å; E56-A59 PolarHBondContact O-N 2.85Å; Y57-A59 VanDerWaalsContact C-N 3.33Å; Y57-A59 PolarHBondContact O-N 2.84Å; A59-L62 PolarHBondContact O-N 2.89Å; A59-L63 WeakPolarHBondContact O-CB 3.34Å; A59-L63 PolarHBondContact O-N 2.9Å; A59-F111 HydrophobicContact CB-CD2 3.6Å; A59-F111 HydrophobicContact CB-CE2 3.73Å; A59-F111 HydrophobicContact CB-CG 4.04Å; A59-F111 HydrophobicContact CB-CZ 4.29Å; A59-M121 HydrophobicContact CB-SD 3.79Å; A59-M121 WeakPolarHBondContact O-CE 3.38Å; A59-Y134 HydrophobicContact CB-CE1 3.96Å
60	I	97.1	Very high	94.6	Very high	42 Å²	42	80.6 Å²	80.6	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-63.1	-49.9	176.4	-62.3	165.7	0	0	0	110.7	E56 Y57 L62 L63 E64 F287	E56-I60 HydrophobicContact CG-CD1 4.17Å; E56-I60 WeakPolarHBondContact O-CG1 3.19Å; E56-I60 PolarHBondContact O-N 2.86Å; Y57-I60 PolarHBondContact O-N 3.29Å; I60-L62 VanDerWaalsContact C-N 3.28Å; I60-L62 PolarHBondContact O-N 2.94Å; I60-L63 VanDerWaalsContact O-CB 3.31Å; I60-L63 WeakPolarHBondContact O-CB 3.48Å; I60-L63 PolarHBondContact O-N 3.14Å; I60-L63 VanDerWaalsContact O-N 3.1Å; I60-E64 HydrophobicContact CG2-CG 4.47Å; I60-E64 PolarHBondContact O-N 3.36Å; I60-F287 HydrophobicContact CD1-CD2 4.22Å; I60-F287 HydrophobicContact CD1-CE2 3.33Å; I60-F287 HydrophobicContact CD1-CZ 3.71Å; I60-F287 HydrophobicContact CG1-CE1 4.36Å; I60-F287 HydrophobicContact CG1-CE2 3.65Å; I60-F287 HydrophobicContact CG1-CZ 3.43Å; I60-F287 VanDerWaalsContact CG1-CZ 3.43Å
61	Y	97.2	Very high	94	Very high	104 Å²	104	77.4 Å²	77.4	41%	0.408	36%	0.362	S	S	.	.	H	α-helix	trans	-55.5	-44.7	178.3	169.3	-96.2	0	0	0	111.7	Y57 N58 K65	Y57-Y61 WeakPolarHBondContact O-CB 3.2Å; Y57-Y61 PolarHBondContact O-N 2.92Å; N58-Y61 PolarHBondContact O-N 2.9Å; Y61-K65 HydrophobicContact CE1-CD 3.95Å; Y61-K65 WeakPolarHBondContact O-CB 3.29Å; Y61-K65 PolarHBondContact O-N 2.96Å
62	L	97	Very high	93.3	Very high	1 Å²	1	78.7 Å²	78.7	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-67.7	-39.1	178.1	-67.4	172.9	0	0	0	112.3	K46 N58 A59 I60 Y66 M121 Y134	K46-L62 HydrophobicContact CB-CD1 4.31Å; K46-L62 HydrophobicContact CB-CD2 4.49Å; K46-L62 HydrophobicContact CD-CD1 3.83Å; K46-L62 HydrophobicContact CD-CD2 3.33Å; K46-L62 HydrophobicContact CD-CG 4.2Å; K46-L62 HydrophobicContact CG-CD2 4.49Å; N58-L62 WeakPolarHBondContact O-CB 3.2Å; N58-L62 WeakPolarHBondContact O-CG 3.44Å; N58-L62 PolarHBondContact O-N 3.26Å; A59-L62 PolarHBondContact O-N 2.89Å; I60-L62 VanDerWaalsContact C-N 3.28Å; I60-L62 PolarHBondContact O-N 2.94Å; L62-Y66 HydrophobicContact CB-CD2 4.17Å; L62-Y66 HydrophobicContact CB-CE2 3.96Å; L62-Y66 HydrophobicContact CD2-CE2 3.76Å; L62-Y66 HydrophobicContact CG-CE2 4.37Å; L62-Y66 WeakPolarHBondContact O-CB 3.4Å; L62-Y66 WeakPolarHBondContact O-CD2 3.34Å; L62-Y66 VanDerWaalsContact O-CG 3.25Å; L62-Y66 PolarHBondContact O-N 3.1Å; L62-M121 HydrophobicContact CB-CE 4.08Å; L62-Y134 HydrophobicContact CD1-CD1 4.39Å; L62-Y134 HydrophobicContact CD1-CD2 3.64Å; L62-Y134 HydrophobicContact CD1-CE2 4.21Å; L62-Y134 HydrophobicContact CD1-CG 3.72Å
63	L	96.6	Very high	92.7	Very high	7 Å²	7	80.2 Å²	80.2	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-56.6	-56.1	174.3	-177.6	76.7	0	0	0	110.7	A59 I60 K65 Y66 I67 F113 Y116 L119 L136	A59-L63 WeakPolarHBondContact O-CB 3.34Å; A59-L63 PolarHBondContact O-N 2.9Å; I60-L63 VanDerWaalsContact O-CB 3.31Å; I60-L63 WeakPolarHBondContact O-CB 3.48Å; I60-L63 PolarHBondContact O-N 3.14Å; I60-L63 VanDerWaalsContact O-N 3.1Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.85Å; L63-Y66 PolarHBondContact O-N 3.21Å; L63-Y66 VanDerWaalsContact O-N 3.14Å; L63-I67 HydrophobicContact CD1-CD1 3.63Å; L63-I67 HydrophobicContact CD1-CG1 4.19Å; L63-I67 HydrophobicContact CD2-CD1 4.19Å; L63-I67 HydrophobicContact CG-CD1 3.55Å; L63-I67 HydrophobicContact CG-CG1 4.28Å; L63-I67 WeakPolarHBondContact O-CB 3Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.05Å; L63-I67 PolarHBondContact O-N 2.98Å; L63-F113 HydrophobicContact CB-CE1 4.22Å; L63-F113 HydrophobicContact CB-CZ 4.29Å; L63-F113 HydrophobicContact CD1-CD1 4.39Å; L63-F113 HydrophobicContact CD1-CD2 3.68Å; L63-F113 HydrophobicContact CD1-CE1 4.38Å; L63-F113 HydrophobicContact CD1-CE2 3.68Å; L63-F113 HydrophobicContact CD1-CG 4.05Å; L63-F113 HydrophobicContact CD1-CZ 4.04Å; L63-F113 HydrophobicContact CD2-CB 3.91Å; L63-F113 HydrophobicContact CD2-CD1 3.3Å; L63-F113 HydrophobicContact CD2-CD2 4Å; L63-F113 HydrophobicContact CD2-CE1 3.73Å; L63-F113 HydrophobicContact CD2-CE2 4.37Å; L63-F113 HydrophobicContact CD2-CG 3.44Å; L63-F113 VanDerWaalsContact CD2-CG 3.44Å; L63-F113 HydrophobicContact CD2-CZ 4.24Å; L63-F113 HydrophobicContact CG-CD1 4.28Å; L63-F113 HydrophobicContact CG-CD2 4.42Å; L63-F113 HydrophobicContact CG-CE1 4.32Å; L63-F113 HydrophobicContact CG-CE2 4.47Å; L63-F113 HydrophobicContact CG-CG 4.32Å; L63-F113 HydrophobicContact CG-CZ 4.42Å; L63-Y116 HydrophobicContact CD2-CD2 3.65Å; L63-Y116 HydrophobicContact CD2-CE2 3.95Å; L63-Y116 HydrophobicContact CG-CD2 4.41Å; L63-L119 HydrophobicContact CD1-CB 4.43Å; L63-L119 HydrophobicContact CD1-CD1 3.77Å; L63-L136 HydrophobicContact CD1-CD1 3.77Å; L63-L136 HydrophobicContact CD1-CD2 4.19Å
64	E	95.6	Very high	92.2	Very high	97 Å²	97	75.1 Å²	75.1	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-42.6	-177.9	-67.8	-176.7	174.8	0	0	112.1	I60 Y66 K68	I60-E64 HydrophobicContact CG2-CG 4.47Å; I60-E64 PolarHBondContact O-N 3.36Å; E64-Y66 VanDerWaalsContact C-N 3.27Å; E64-Y66 PolarHBondContact O-N 3.37Å; E64-K68 WeakPolarHBondContact O-CG 3.45Å; E64-K68 PolarHBondContact O-N 2.87Å
65	K	95.5	Very high	92	Very high	80 Å²	80	79 Å²	79	35%	0.348	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-39.4	175.9	-177.5	174.5	-173.8	166.6	0	111.9	Y61 L63	Y61-K65 HydrophobicContact CE1-CD 3.95Å; Y61-K65 WeakPolarHBondContact O-CB 3.29Å; Y61-K65 PolarHBondContact O-N 2.96Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.85Å
66	Y	94.6	Very high	91.9	Very high	22 Å²	22	77 Å²	77	9%	0.086	35%	0.345	C	S	.	.	H	α-helix	trans	-94.6	-19.4	-173.5	-59.2	-40.3	0	0	0	115.2	K44 L62 L63 E64 K69 Y71 L136	K44-Y66 HydrophobicContact CB-CD1 4.36Å; K44-Y66 HydrophobicContact CB-CD2 3.74Å; K44-Y66 HydrophobicContact CB-CE2 3.9Å; K44-Y66 HydrophobicContact CB-CG 3.99Å; K44-Y66 HydrophobicContact CG-CD1 4.07Å; K44-Y66 HydrophobicContact CG-CD2 3.88Å; K44-Y66 HydrophobicContact CG-CE1 3.75Å; K44-Y66 HydrophobicContact CG-CE2 3.55Å; K44-Y66 HydrophobicContact CG-CG 4.14Å; K44-Y66 VanDerWaalsContact CG-CZ 3.48Å; L62-Y66 HydrophobicContact CB-CD2 4.17Å; L62-Y66 HydrophobicContact CB-CE2 3.96Å; L62-Y66 HydrophobicContact CD2-CE2 3.76Å; L62-Y66 HydrophobicContact CG-CE2 4.37Å; L62-Y66 WeakPolarHBondContact O-CB 3.4Å; L62-Y66 WeakPolarHBondContact O-CD2 3.34Å; L62-Y66 VanDerWaalsContact O-CG 3.25Å; L62-Y66 PolarHBondContact O-N 3.1Å; L63-Y66 PolarHBondContact O-N 3.21Å; L63-Y66 VanDerWaalsContact O-N 3.14Å; E64-Y66 VanDerWaalsContact C-N 3.27Å; E64-Y66 PolarHBondContact O-N 3.37Å; Y66-K69 VanDerWaalsContact O-O 3.07Å; Y66-Y71 AromaticContact CD1-CE2 3.57Å; Y66-Y71 HydrophobicContact CD1-CE2 3.57Å; Y66-Y71 AromaticContact CD1-CZ 3.94Å; Y66-Y71 HydrophobicContact CE1-CE2 4.48Å; Y66-Y71 HydrophobicContact CG-CE2 4.22Å; Y66-L136 HydrophobicContact CD2-CD2 4.44Å
67	I	91.5	Very high	91.9	Very high	48 Å²	48	74.4 Å²	74.4	25%	0.246	33%	0.334	C	S	.	.	H	α-helix	trans	-73.3	-42.8	172	-71.6	176.8	0	0	0	111.2	L63 K69 Y116 L119	L63-I67 HydrophobicContact CD1-CD1 3.63Å; L63-I67 HydrophobicContact CD1-CG1 4.19Å; L63-I67 HydrophobicContact CD2-CD1 4.19Å; L63-I67 HydrophobicContact CG-CD1 3.55Å; L63-I67 HydrophobicContact CG-CG1 4.28Å; L63-I67 WeakPolarHBondContact O-CB 3Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.05Å; L63-I67 PolarHBondContact O-N 2.98Å; I67-K69 PolarHBondContact O-N 3.25Å; I67-Y116 HydrophobicContact CD1-CD1 3.6Å; I67-Y116 HydrophobicContact CD1-CD2 3.66Å; I67-Y116 HydrophobicContact CD1-CE1 3.54Å; I67-Y116 HydrophobicContact CD1-CE2 3.58Å; I67-Y116 HydrophobicContact CD1-CG 3.65Å; I67-Y116 HydrophobicContact CG2-CE1 4.09Å; I67-L119 HydrophobicContact CD1-CD1 3.45Å; I67-L119 VanDerWaalsContact CD1-CD1 3.45Å; I67-L119 HydrophobicContact CG1-CD1 3.8Å
68	K	89.5	Confident	91.9	Very high	170 Å²	170	66.2 Å²	66.2	74%	0.739	30%	0.301	S	S	*	.	S	Bend	trans	-62.3	-27.1	-178.9	-71.4	176.2	-179.6	176.5	0	112.7	E64	E64-K68 WeakPolarHBondContact O-CG 3.45Å; E64-K68 PolarHBondContact O-N 2.87Å
69	K	85.5	Confident	91.9	Very high	112 Å²	112	65.3 Å²	65.3	49%	0.487	30%	0.295	S	S	.	.	S	Bend	trans	-94.5	120	179.9	-71.2	-179.6	178.3	-169.5	0	109	Y66 I67 Y71	Y66-K69 VanDerWaalsContact O-O 3.07Å; I67-K69 PolarHBondContact O-N 3.25Å; K69-Y71 HydrophobicContact CB-CD2 3.66Å; K69-Y71 HydrophobicContact CB-CE1 4.45Å; K69-Y71 HydrophobicContact CB-CE2 3.22Å; K69-Y71 HydrophobicContact CB-CG 4.46Å; K69-Y71 HydrophobicContact CD-CE2 3.87Å; K69-Y71 WeakPolarHBondContact CD-OH 3.35Å; K69-Y71 HydrophobicContact CG-CE2 4.14Å; K69-Y71 VanDerWaalsContact O-CD2 3.25Å; K69-Y71 WeakPolarHBondContact O-CD2 3.4Å; K69-Y71 PolarHBondContact O-N 3.32Å
70	N	80.8	Confident	91.8	Very high	168 Å²	168	65.4 Å²	65.4	90%	0.898	30%	0.295	S	S	*	.			trans	-70.5	64	175.4	-78.4	-30.8	0	0	0	111.9
71	Y	78.8	Confident	91.8	Very high	74 Å²	74	63.4 Å²	63.4	29%	0.29	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-60.7	143.4	176.4	-69.8	-73.1	0	0	0	110.7	Y66 K69 K73	Y66-Y71 AromaticContact CD1-CE2 3.57Å; Y66-Y71 HydrophobicContact CD1-CE2 3.57Å; Y66-Y71 AromaticContact CD1-CZ 3.94Å; Y66-Y71 HydrophobicContact CE1-CE2 4.48Å; Y66-Y71 HydrophobicContact CG-CE2 4.22Å; K69-Y71 HydrophobicContact CB-CD2 3.66Å; K69-Y71 HydrophobicContact CB-CE1 4.45Å; K69-Y71 HydrophobicContact CB-CE2 3.22Å; K69-Y71 HydrophobicContact CB-CG 4.46Å; K69-Y71 HydrophobicContact CD-CE2 3.87Å; K69-Y71 WeakPolarHBondContact CD-OH 3.35Å; K69-Y71 HydrophobicContact CG-CE2 4.14Å; K69-Y71 VanDerWaalsContact O-CD2 3.25Å; K69-Y71 WeakPolarHBondContact O-CD2 3.4Å; K69-Y71 PolarHBondContact O-N 3.32Å; Y71-K73 WeakPolarHBondContact O-CG 3.37Å; Y71-K73 PolarHBondContact O-N 2.71Å
72	K	79.7	Confident	91.8	Very high	183 Å²	183	61 Å²	61	80%	0.796	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-60.2	120.5	168.5	-69.8	-176.4	179.3	179.2	0	107.8	I95	K72-I95 HydrophobicContact CB-CD1 4.33Å; K72-I95 WeakPolarHBondContact O-CD1 3.3Å
73	K	83.5	Confident	91.8	Very high	92 Å²	92	61.4 Å²	61.4	40%	0.4	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-99.5	120.9	179.6	-62.2	177.7	-176.5	180	0	108.8	K41 I43 Y71	K41-K73 HydrophobicContact CB-CB 4.11Å; K41-K73 HydrophobicContact CB-CD 4.4Å; K41-K73 HydrophobicContact CD-CB 4.19Å; K41-K73 HydrophobicContact CD-CD 3.97Å; K41-K73 HydrophobicContact CG-CB 4.25Å; I43-K73 HydrophobicContact CG1-CD 4.4Å; Y71-K73 WeakPolarHBondContact O-CG 3.37Å; Y71-K73 PolarHBondContact O-N 2.71Å
74	S	87.5	Confident	91.8	Very high	9 Å²	9	64.1 Å²	64.1	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.6	170.8	64	0	0	0	0	110.4	K41 L42 I95	K41-S74 VanDerWaalsContact CA-O 3.3Å; K41-S74 WeakPolarHBondContact CA-O 3.26Å; L42-S74 WeakPolarHBondContact CD1-OG 3.41Å; L42-S74 PolarHBondContact N-O 3.44Å; S74-I95 WeakPolarHBondContact CB-O 3.38Å; S74-I95 PolarHBondContact OG-O 3.16Å
75	K	93.4	Very high	92	Very high	113 Å²	113	59.7 Å²	59.7	49%	0.491	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.5	175.7	-65.3	-179.8	-177.3	176.5	0	109.3	L40 K41 K90	L40-K75 WeakPolarHBondContact O-CA 3.46Å; K41-K75 HydrophobicContact CG-CG 4.26Å; K75-K90 PolarHBondContact O-N 2.85Å
76	C	95.5	Very high	92.1	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	160.7	172.4	55	0	0	0	0	110.9	Y39 L40 L42 I87 K88	Y39-C76 WeakPolarHBondContact CA-O 3.38Å; L40-C76 PolarHBondContact N-O 3.48Å; L40-C76 PolarHBondContact O-N 3.49Å; L40-C76 PolarHBondContact O-SG 3.09Å; L42-C76 VanDerWaalsContact CD2-SG 3.59Å; C76-I87 HydrophobicContact CB-CG2 3.63Å; C76-K88 CarbonylContact C-O 3.04Å; C76-K88 VanDerWaalsContact CA-O 3.27Å; C76-K88 WeakPolarHBondContact CA-O 3.38Å; C76-K88 VanDerWaalsContact CB-O 3.3Å; C76-K88 WeakPolarHBondContact CB-O 3.45Å
77	I	96.3	Very high	92.2	Very high	22 Å²	22	56 Å²	56	11%	0.113	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.5	168.5	-55.9	175.9	0	0	0	106.3	Q37 Y39 Y79 K88	Q37-I77 HydrophobicContact CG-CG2 3.8Å; Y39-I77 HydrophobicContact CD1-CG1 3.76Å; Y39-I77 HydrophobicContact CE1-CD1 3.81Å; Y39-I77 HydrophobicContact CE1-CG1 3.5Å; Y39-I77 VanDerWaalsContact CE1-CG1 3.5Å; I77-Y79 HydrophobicContact CB-CE2 4.12Å; I77-Y79 HydrophobicContact CG2-CD2 4.39Å; I77-Y79 HydrophobicContact CG2-CE1 4.18Å; I77-Y79 HydrophobicContact CG2-CE2 3.68Å; I77-K88 PolarHBondContact N-O 2.98Å; I77-K88 PolarHBondContact O-N 3Å
78	T	97.5	Very high	92.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.6	-177.8	-55.2	0	0	0	0	109.3	Q37 C38 L40 F80 I85 R86 I87	Q37-T78 VanDerWaalsContact CA-O 3.32Å; Q37-T78 WeakPolarHBondContact CA-O 3.33Å; C38-T78 PolarHBondContact N-O 3.01Å; C38-T78 PolarHBondContact O-N 3.47Å; L40-T78 HydrophobicContact CD1-CG2 4.07Å; L40-T78 WeakPolarHBondContact CD1-OG1 3.38Å; L40-T78 WeakPolarHBondContact CG-OG1 3.32Å; T78-F80 HydrophobicContact CG2-CD2 4.24Å; T78-F80 HydrophobicContact CG2-CE2 3.53Å; T78-F80 HydrophobicContact CG2-CZ 3.82Å; T78-I85 HydrophobicContact CG2-CG2 3.23Å; T78-R86 CarbonylContact C-O 3.45Å; T78-R86 WeakPolarHBondContact CA-O 3.32Å; T78-I87 HydrophobicContact CG2-CG1 4.15Å
79	Y	97.8	Very high	92.4	Very high	25 Å²	25	53.7 Å²	53.7	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.5	-178.7	-55.6	-94.6	0	0	0	108.2	L34 Q37 I77 I85 R86 K88	L34-Y79 HydrophobicContact CD1-CD1 3.83Å; L34-Y79 HydrophobicContact CD1-CG 4.29Å; L34-Y79 HydrophobicContact CD2-CD1 4.32Å; Q37-Y79 HydrophobicContact CB-CD1 4.49Å; Q37-Y79 HydrophobicContact CG-CD1 4.04Å; Q37-Y79 HydrophobicContact CG-CE1 4.01Å; Q37-Y79 VanDerWaalsContact OE1-CE1 3.24Å; I77-Y79 HydrophobicContact CB-CE2 4.12Å; I77-Y79 HydrophobicContact CG2-CD2 4.39Å; I77-Y79 HydrophobicContact CG2-CE1 4.18Å; I77-Y79 HydrophobicContact CG2-CE2 3.68Å; Y79-I85 CarbonylContact O-C 3.55Å; Y79-I85 WeakPolarHBondContact O-CA 3.48Å; Y79-R86 VanDerWaalsContact CD2-CZ 3.43Å; Y79-R86 VanDerWaalsContact CD2-NH2 3.28Å; Y79-R86 WeakPolarHBondContact CD2-O 3.26Å; Y79-R86 VanDerWaalsContact CE2-NH1 3.34Å; Y79-R86 PolarHBondContact N-O 2.99Å; Y79-R86 PolarHBondContact O-N 3.05Å; Y79-K88 HydrophobicContact CE2-CB 3.87Å; Y79-K88 HydrophobicContact CE2-CD 4.44Å
80	F	97.6	Very high	92.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	109.8	177.7	-67.4	-100.2	0	0	0	107.6	F35 F36 T78 I85 I148 L151	F35-F80 PolarHBondContact N-O 3.49Å; F36-F80 HydrophobicContact CB-CB 4.07Å; F36-F80 HydrophobicContact CB-CD2 4.15Å; F36-F80 HydrophobicContact CB-CG 4.31Å; F36-F80 AromaticContact CD1-CD2 3.67Å; F36-F80 HydrophobicContact CD1-CD2 3.67Å; F36-F80 AromaticContact CD1-CE2 3.91Å; F36-F80 HydrophobicContact CD1-CE2 3.91Å; F36-F80 HydrophobicContact CD1-CG 4.35Å; F36-F80 HydrophobicContact CE1-CE2 4.47Å; F36-F80 HydrophobicContact CG-CD2 4.35Å; F36-F80 PolarHBondContact O-N 3.27Å; T78-F80 HydrophobicContact CG2-CD2 4.24Å; T78-F80 HydrophobicContact CG2-CE2 3.53Å; T78-F80 HydrophobicContact CG2-CZ 3.82Å; F80-I85 HydrophobicContact CD1-CD1 4.16Å; F80-I85 HydrophobicContact CD1-CG1 3.83Å; F80-I85 HydrophobicContact CD1-CG2 4.4Å; F80-I85 HydrophobicContact CE1-CD1 3.63Å; F80-I85 HydrophobicContact CE1-CG1 3.76Å; F80-I85 HydrophobicContact CE1-CG2 4.02Å; F80-I85 HydrophobicContact CZ-CD1 4.44Å; F80-I85 HydrophobicContact CZ-CG2 4.05Å; F80-I148 HydrophobicContact CE1-CB 4.32Å; F80-I148 HydrophobicContact CE1-CG1 4.08Å; F80-I148 HydrophobicContact CE1-CG2 3.76Å; F80-I148 HydrophobicContact CE2-CD1 4.3Å; F80-I148 HydrophobicContact CE2-CG1 3.9Å; F80-I148 HydrophobicContact CZ-CB 4.15Å; F80-I148 HydrophobicContact CZ-CD1 3.92Å; F80-I148 HydrophobicContact CZ-CG1 3.47Å; F80-I148 VanDerWaalsContact CZ-CG1 3.47Å; F80-I148 HydrophobicContact CZ-CG2 3.75Å; F80-L151 HydrophobicContact CB-CD1 3.96Å; F80-L151 HydrophobicContact CD1-CD1 4.17Å; F80-L151 HydrophobicContact CG-CD1 4.05Å
81	L	97.1	Very high	92.7	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.224	C	C	.	.			trans	-108.3	-175	-174	-50.7	174.6	0	0	0	109.7	D27 T30 Q32 L34 D83 R84 R86 Y104 L163	D27-L81 HydrophobicContact CB-CD2 3.59Å; T30-L81 HydrophobicContact CG2-CD1 3.86Å; Q32-L81 HydrophobicContact CB-CB 4.33Å; L34-L81 HydrophobicContact CD1-CD2 3.84Å; L81-D83 PolarHBondContact O-N 2.83Å; L81-R84 HydrophobicContact CB-CG 4.39Å; L81-R84 WeakPolarHBondContact CB-O 3.3Å; L81-R84 HydrophobicContact CD1-CG 4.05Å; L81-R84 PolarHBondContact N-O 3.32Å; L81-R86 HydrophobicContact CD1-CB 4.08Å; L81-Y104 WeakPolarHBondContact O-CE2 3.47Å; L81-Y104 PolarHBondContact O-OH 2.86Å; L81-L163 WeakPolarHBondContact O-CD1 3.06Å
82	I	96.3	Very high	92.6	Very high	53 Å²	53	56.5 Å²	56.5	27%	0.272	25%	0.254	S	S	.	.	S	Bend	trans	-58.5	-49.7	-177.2	-64.9	166.3	0	0	0	111.8	Q32 L33 F35 I162 L163	Q32-I82 HydrophobicContact CB-CD1 4.32Å; L33-I82 HydrophobicContact CB-CD1 4.06Å; L33-I82 HydrophobicContact CB-CG1 4.08Å; F35-I82 HydrophobicContact CE2-CG1 3.83Å; I82-I162 HydrophobicContact CG2-CB 3.97Å; I82-I162 HydrophobicContact CG2-CD1 4.42Å; I82-I162 HydrophobicContact CG2-CG2 4.3Å; I82-I162 CarbonylContact O-C 3.59Å; I82-I162 VanDerWaalsContact O-CA 3.31Å; I82-I162 WeakPolarHBondContact O-CA 3.23Å; I82-I162 WeakPolarHBondContact O-CB 3.45Å; I82-L163 PolarHBondContact O-N 3.14Å
83	D	97	Very high	92.5	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.059	26%	0.257	C	S	.	.	S	Bend	trans	-113.7	-9.3	-170.4	64.1	-17.5	0	0	0	113.8	Q32 L81 Y104 I162	Q32-D83 PolarHBondContact NE2-OD1 3.32Å; Q32-D83 PolarHBondContact OE1-OD1 2.99Å; L81-D83 PolarHBondContact O-N 2.83Å; D83-Y104 WeakPolarHBondContact O-CD2 3.43Å; D83-Y104 PolarHBondContact O-N 2.76Å; D83-I162 HydrophobicContact CB-CG2 4.03Å
84	R	97.8	Very high	92.1	Very high	63 Å²	63	53.5 Å²	53.5	24%	0.238	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	159.9	-170.1	72.1	-168.9	71.4	-161.7	-1.6	114.4	L81 E101 I102	L81-R84 HydrophobicContact CB-CG 4.39Å; L81-R84 WeakPolarHBondContact CB-O 3.3Å; L81-R84 HydrophobicContact CD1-CG 4.05Å; L81-R84 PolarHBondContact N-O 3.32Å; R84-E101 WeakPolarHBondContact CD-OE2 3.38Å; R84-E101 IonicContact CZ-OE2 3.86Å; R84-E101 IonicContact NH1-OE2 2.73Å; R84-E101 PolarHBondContact NH1-OE2 2.73Å; R84-I102 CarbonylContact C-O 3.55Å; R84-I102 WeakPolarHBondContact CA-O 3.47Å; R84-I102 WeakPolarHBondContact CB-O 3.31Å
85	I	98.1	Very high	91.6	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.5	167	-53.5	174.3	0	0	0	108.1	T78 Y79 F80 I87 E101 I102 Y104 I107	T78-I85 HydrophobicContact CG2-CG2 3.23Å; Y79-I85 CarbonylContact O-C 3.55Å; Y79-I85 WeakPolarHBondContact O-CA 3.48Å; F80-I85 HydrophobicContact CD1-CD1 4.16Å; F80-I85 HydrophobicContact CD1-CG1 3.83Å; F80-I85 HydrophobicContact CD1-CG2 4.4Å; F80-I85 HydrophobicContact CE1-CD1 3.63Å; F80-I85 HydrophobicContact CE1-CG1 3.76Å; F80-I85 HydrophobicContact CE1-CG2 4.02Å; F80-I85 HydrophobicContact CZ-CD1 4.44Å; F80-I85 HydrophobicContact CZ-CG2 4.05Å; I85-I87 HydrophobicContact CG2-CG1 4.48Å; I85-E101 CarbonylContact O-C 3.52Å; I85-E101 VanDerWaalsContact O-CA 3.26Å; I85-E101 WeakPolarHBondContact O-CA 3.4Å; I85-I102 HydrophobicContact CB-CB 4.13Å; I85-I102 HydrophobicContact CB-CG1 4.29Å; I85-I102 PolarHBondContact N-O 3.44Å; I85-I102 PolarHBondContact O-N 3.22Å; I85-Y104 HydrophobicContact CD1-CD1 4.39Å; I85-Y104 HydrophobicContact CD1-CE1 3.87Å; I85-Y104 HydrophobicContact CG1-CD1 4.26Å; I85-Y104 HydrophobicContact CG1-CE1 3.55Å; I85-I107 HydrophobicContact CD1-CD1 3.87Å
86	R	97.4	Very high	91.3	Very high	16 Å²	16	58.6 Å²	58.6	6%	0.06	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.6	177.5	-174.3	173.4	70.5	59.7	1.9	110.7	D27 T78 Y79 L81 E101	D27-R86 VanDerWaalsContact CG-NH2 3.28Å; D27-R86 IonicContact OD1-CZ 3.55Å; D27-R86 IonicContact OD1-NE 2.76Å; D27-R86 IonicContact OD1-NH2 3.73Å; D27-R86 PolarHBondContact OD1-NH2 3.28Å; D27-R86 IonicContact OD2-CZ 3.76Å; D27-R86 IonicContact OD2-NE 3.65Å; D27-R86 PolarHBondContact OD2-NE 2.84Å; D27-R86 IonicContact OD2-NH2 2.64Å; D27-R86 PolarHBondContact OD2-NH2 3.2Å; T78-R86 CarbonylContact C-O 3.45Å; T78-R86 WeakPolarHBondContact CA-O 3.32Å; Y79-R86 VanDerWaalsContact CD2-CZ 3.43Å; Y79-R86 VanDerWaalsContact CD2-NH2 3.28Å; Y79-R86 WeakPolarHBondContact CD2-O 3.26Å; Y79-R86 VanDerWaalsContact CE2-NH1 3.34Å; Y79-R86 PolarHBondContact N-O 2.99Å; Y79-R86 PolarHBondContact O-N 3.05Å; L81-R86 HydrophobicContact CD1-CB 4.08Å; R86-E101 HydrophobicContact CB-CG 4.32Å; R86-E101 HydrophobicContact CG-CG 4.02Å
87	I	97.1	Very high	91	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.1	-178.3	-56.6	173.8	0	0	0	109.5	C76 T78 I85 P97 K100 I102 Y137	C76-I87 HydrophobicContact CB-CG2 3.63Å; T78-I87 HydrophobicContact CG2-CG1 4.15Å; I85-I87 HydrophobicContact CG2-CG1 4.48Å; I87-P97 HydrophobicContact CG2-CB 3.79Å; I87-K100 PolarHBondContact N-O 2.73Å; I87-I102 HydrophobicContact CD1-CD1 3.98Å; I87-I102 HydrophobicContact CD1-CG1 4.25Å; I87-Y137 HydrophobicContact CD1-CE1 4.23Å
88	K	94.6	Very high	90.8	Very high	116 Å²	116	60.5 Å²	60.5	50%	0.504	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.1	176.1	-172.3	178.7	177.7	-179.5	0	110.1	C76 I77 Y79	C76-K88 CarbonylContact C-O 3.04Å; C76-K88 VanDerWaalsContact CA-O 3.27Å; C76-K88 WeakPolarHBondContact CA-O 3.38Å; C76-K88 VanDerWaalsContact CB-O 3.3Å; C76-K88 WeakPolarHBondContact CB-O 3.45Å; I77-K88 PolarHBondContact N-O 2.98Å; I77-K88 PolarHBondContact O-N 3Å; Y79-K88 HydrophobicContact CE2-CB 3.87Å; Y79-K88 HydrophobicContact CE2-CD 4.44Å
89	Q	92	Very high	90.6	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133	172.9	-171.8	170.8	0.4	0	0	110.2	N91 G94	Q89-N91 VanDerWaalsContact CD-O 3.27Å; Q89-N91 WeakPolarHBondContact CG-O 3.32Å; Q89-N91 PolarHBondContact NE2-O 3.42Å; Q89-G94 PolarHBondContact NE2-O 3.19Å
90	K	88.9	Confident	90.5	Very high	108 Å²	108	67.5 Å²	67.5	47%	0.47	32%	0.323	S	S	.	.	S	Bend	trans	-78.5	-41.4	-179.5	-169.6	176.5	-178.9	168.3	0	112.2	Y39 K75	Y39-K90 HydrophobicContact CE1-CD 4.05Å; K75-K90 PolarHBondContact O-N 2.85Å
91	N	82.2	Confident	90.5	Very high	95 Å²	95	70 Å²	70	51%	0.508	34%	0.335	S	S	.	.			trans	-124.4	133.1	-177	-62.1	-4.5	0	0	0	109.9	Q89 I93	Q89-N91 VanDerWaalsContact CD-O 3.27Å; Q89-N91 WeakPolarHBondContact CG-O 3.32Å; Q89-N91 PolarHBondContact NE2-O 3.42Å; N91-I93 PolarHBondContact O-N 3.15Å
92	F	77.2	Confident	90.5	Very high	210 Å²	210	70 Å²	70	92%	0.921	34%	0.335	S	S	*	.	S	Bend	trans	-58.2	-29.8	175.6	-67.8	-80.5	0	0	0	112.7	G94	F92-G94 PolarHBondContact O-N 3.38Å
93	I	78.2	Confident	90.6	Very high	167 Å²	167	70.2 Å²	70.2	86%	0.856	34%	0.336	S	S	*	.	S	Bend	trans	-84.3	91.2	176.7	-52.6	169.8	0	0	0	108.2	N91	N91-I93 PolarHBondContact O-N 3.15Å
94	G	73.8	Confident	90.6	Very high	45 Å²	45	70 Å²	70	46%	0.464	33%	0.334	S	S	.	.	S	Bend	trans	169.8	171.5	176.4	0	0	0	0	0	113.9	Q89 F92 K96	Q89-G94 PolarHBondContact NE2-O 3.19Å; F92-G94 PolarHBondContact O-N 3.38Å; G94-K96 PolarHBondContact O-N 2.76Å; G94-K96 VanDerWaalsContact O-N 3.16Å
95	I	77.5	Confident	90.6	Very high	79 Å²	79	71.9 Å²	71.9	41%	0.405	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-58.7	119.5	173.9	-56.7	178	0	0	0	108.6	K72 S74	K72-I95 HydrophobicContact CB-CD1 4.33Å; K72-I95 WeakPolarHBondContact O-CD1 3.3Å; S74-I95 WeakPolarHBondContact CB-O 3.38Å; S74-I95 PolarHBondContact OG-O 3.16Å
96	K	87.9	Confident	90.6	Very high	150 Å²	150	71.9 Å²	71.9	65%	0.652	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-54.4	138.4	172.9	-174.9	-179.5	178.6	179	0	109	G94 F98	G94-K96 PolarHBondContact O-N 2.76Å; G94-K96 VanDerWaalsContact O-N 3.16Å; K96-F98 PolarHBondContact O-N 3.43Å
97	P	88.7	Confident	90.7	Very high	16 Å²	16	72 Å²	72	10%	0.104	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-56.5	141.4	175.9	26	-35.7	0	0	0	111.3	L42 I87 R99	L42-P97 HydrophobicContact CD1-CB 3.81Å; I87-P97 HydrophobicContact CG2-CB 3.79Å; P97-R99 WeakPolarHBondContact CB-O 3.25Å; P97-R99 PolarHBondContact O-N 2.78Å; P97-R99 VanDerWaalsContact O-N 3.12Å
98	F	91.3	Very high	90.7	Very high	48 Å²	48	75 Å²	75	21%	0.211	36%	0.356	C	S	.	.	S	Bend	trans	-51.7	-38.6	-179.1	-52.2	-45.4	0	0	0	111.1	L42 Q45 K96 E135	L42-F98 HydrophobicContact CB-CE2 4.13Å; L42-F98 HydrophobicContact CB-CZ 3.97Å; L42-F98 HydrophobicContact CD2-CE2 4.42Å; Q45-F98 HydrophobicContact CB-CB 4.43Å; Q45-F98 HydrophobicContact CB-CD1 3.67Å; Q45-F98 HydrophobicContact CB-CD2 4.01Å; Q45-F98 HydrophobicContact CB-CE1 3.86Å; Q45-F98 HydrophobicContact CB-CE2 4.17Å; Q45-F98 HydrophobicContact CB-CG 3.77Å; Q45-F98 HydrophobicContact CB-CZ 4.12Å; Q45-F98 HydrophobicContact CG-CG 4.48Å; K96-F98 PolarHBondContact O-N 3.43Å; F98-E135 HydrophobicContact CD2-CB 4.35Å; F98-E135 HydrophobicContact CD2-CG 4.15Å
99	R	94.3	Very high	90.8	Very high	25 Å²	25	72 Å²	72	9%	0.094	34%	0.343	C	S	.	.			trans	-147	154.5	173.1	57.2	-171.8	74.4	-148.8	7.9	110.3	P97 E101 I102 E106 D126 S133 E135	P97-R99 WeakPolarHBondContact CB-O 3.25Å; P97-R99 PolarHBondContact O-N 2.78Å; P97-R99 VanDerWaalsContact O-N 3.12Å; R99-E101 WeakPolarHBondContact CD-O 3.49Å; R99-E101 WeakPolarHBondContact CG-O 3.33Å; R99-I102 HydrophobicContact CG-CD1 4.27Å; R99-I102 HydrophobicContact CG-CG1 3.94Å; R99-E106 IonicContact NH1-OE2 3.87Å; R99-D126 IonicContact NH1-OD2 3.63Å; R99-S133 PolarHBondContact NH2-OG 3Å; R99-E135 IonicContact CZ-OE1 2.84Å; R99-E135 IonicContact NE-OE1 3.09Å; R99-E135 PolarHBondContact NE-OE1 3.42Å; R99-E135 IonicContact NE-OE2 3Å; R99-E135 IonicContact NH2-OE1 3.83Å; R99-E135 PolarHBondContact NH2-OE1 2.92Å
100	K	95.6	Very high	91.1	Very high	147 Å²	147	69.8 Å²	69.8	64%	0.639	33%	0.333	S	S	*	.	S	Bend	trans	-77.9	-32	177.2	-68.1	-179.4	-180	176.1	0	111.7	I87	I87-K100 PolarHBondContact N-O 2.73Å
101	E	97.1	Very high	91.6	Very high	55 Å²	55	65.7 Å²	65.7	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.4	-173.1	-64.2	177.7	-165.2	0	0	108.8	K29 R84 I85 R86 R99	K29-E101 IonicContact NZ-OE1 3.15Å; K29-E101 PolarHBondContact NZ-OE1 2.74Å; K29-E101 VanDerWaalsContact NZ-OE1 3.09Å; R84-E101 WeakPolarHBondContact CD-OE2 3.38Å; R84-E101 IonicContact CZ-OE2 3.86Å; R84-E101 IonicContact NH1-OE2 2.73Å; R84-E101 PolarHBondContact NH1-OE2 2.73Å; I85-E101 CarbonylContact O-C 3.52Å; I85-E101 VanDerWaalsContact O-CA 3.26Å; I85-E101 WeakPolarHBondContact O-CA 3.4Å; R86-E101 HydrophobicContact CB-CG 4.32Å; R86-E101 HydrophobicContact CG-CG 4.02Å; R99-E101 WeakPolarHBondContact CD-O 3.49Å; R99-E101 WeakPolarHBondContact CG-O 3.33Å
102	I	97.7	Very high	92.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.1	175.1	-36.6	-164	0	0	0	107.2	R84 I85 I87 R99 I107 L122 I124	R84-I102 CarbonylContact C-O 3.55Å; R84-I102 WeakPolarHBondContact CA-O 3.47Å; R84-I102 WeakPolarHBondContact CB-O 3.31Å; I85-I102 HydrophobicContact CB-CB 4.13Å; I85-I102 HydrophobicContact CB-CG1 4.29Å; I85-I102 PolarHBondContact N-O 3.44Å; I85-I102 PolarHBondContact O-N 3.22Å; I87-I102 HydrophobicContact CD1-CD1 3.98Å; I87-I102 HydrophobicContact CD1-CG1 4.25Å; R99-I102 HydrophobicContact CG-CD1 4.27Å; R99-I102 HydrophobicContact CG-CG1 3.94Å; I102-I107 HydrophobicContact CG2-CD1 4.2Å; I102-I107 HydrophobicContact CG2-CG1 3.96Å; I102-L122 HydrophobicContact CD1-CD1 4.02Å; I102-I124 HydrophobicContact CD1-CD1 3.9Å; I102-I124 HydrophobicContact CG2-CD1 3.79Å; I102-I124 HydrophobicContact CG2-CG1 4.43Å; I102-I124 HydrophobicContact CG2-CG2 4.42Å
103	I	97.7	Very high	93.2	Very high	57 Å²	57	52.9 Å²	52.9	29%	0.292	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.9	175.7	-58.5	169.3	0	0	0	107.9	R105 E106	I103-R105 VanDerWaalsContact C-N 3.27Å; I103-R105 HydrophobicContact CG2-CB 4.27Å; I103-R105 PolarHBondContact O-N 2.9Å; I103-E106 HydrophobicContact CB-CG 4.09Å; I103-E106 WeakPolarHBondContact O-CB 3.46Å; I103-E106 PolarHBondContact O-N 3.47Å
104	Y	98.2	Very high	93.9	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.027	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-58.6	-38.3	-176.5	-72.5	-61.8	0	0	0	113	L81 D83 I85 E106 I107 A155 N161 L163	L81-Y104 WeakPolarHBondContact O-CE2 3.47Å; L81-Y104 PolarHBondContact O-OH 2.86Å; D83-Y104 WeakPolarHBondContact O-CD2 3.43Å; D83-Y104 PolarHBondContact O-N 2.76Å; I85-Y104 HydrophobicContact CD1-CD1 4.39Å; I85-Y104 HydrophobicContact CD1-CE1 3.87Å; I85-Y104 HydrophobicContact CG1-CD1 4.26Å; I85-Y104 HydrophobicContact CG1-CE1 3.55Å; Y104-E106 PolarHBondContact O-N 3.43Å; Y104-I107 HydrophobicContact CD1-CD1 4.19Å; Y104-I107 WeakPolarHBondContact O-CB 3.38Å; Y104-I107 PolarHBondContact O-N 2.82Å; Y104-A155 HydrophobicContact CD1-CB 3.73Å; Y104-A155 HydrophobicContact CD2-CB 3.7Å; Y104-A155 HydrophobicContact CE1-CB 4.25Å; Y104-A155 HydrophobicContact CE2-CB 4.24Å; Y104-A155 HydrophobicContact CG-CB 3.44Å; Y104-A155 VanDerWaalsContact CG-CB 3.44Å; Y104-N161 WeakPolarHBondContact CB-O 3.29Å; Y104-L163 HydrophobicContact CE2-CD1 4Å; Y104-L163 HydrophobicContact CE2-CG 3.87Å; Y104-L163 VanDerWaalsContact OH-CD1 3.23Å; Y104-L163 WeakPolarHBondContact OH-CD1 3.34Å
105	R	97.6	Very high	95	Very high	101 Å²	101	50.1 Å²	50.1	38%	0.381	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58.7	-27.3	176.4	-171.9	172.4	70.3	-153.5	-0.6	114.3	I103 I107 K108 E127 N161	I103-R105 VanDerWaalsContact C-N 3.27Å; I103-R105 HydrophobicContact CG2-CB 4.27Å; I103-R105 PolarHBondContact O-N 2.9Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.74Å; R105-K108 PolarHBondContact O-NZ 3.04Å; R105-E127 IonicContact CZ-OE1 3.84Å; R105-E127 IonicContact CZ-OE2 3.95Å; R105-E127 IonicContact NE-OE1 3.23Å; R105-E127 PolarHBondContact NE-OE1 3.24Å; R105-E127 IonicContact NE-OE2 3.74Å; R105-E127 PolarHBondContact NE-OE2 3.46Å; R105-E127 IonicContact NH2-OE1 3.46Å; R105-E127 IonicContact NH2-OE2 2.71Å; R105-E127 PolarHBondContact NH2-OE2 3.44Å; R105-N161 HydrophobicContact CB-CB 3.91Å; R105-N161 WeakPolarHBondContact CB-OD1 3.5Å; R105-N161 WeakPolarHBondContact CG-OD1 3.31Å
106	E	98	Very high	95.9	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.028	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-74	-19.6	178.1	-66.4	-173.2	150.2	0	0	112.4	R99 I103 Y104 K108 I124 I125 E127	R99-E106 IonicContact NH1-OE2 3.87Å; I103-E106 HydrophobicContact CB-CG 4.09Å; I103-E106 WeakPolarHBondContact O-CB 3.46Å; I103-E106 PolarHBondContact O-N 3.47Å; Y104-E106 PolarHBondContact O-N 3.43Å; E106-K108 PolarHBondContact O-N 3.02Å; E106-I124 HydrophobicContact CB-CG2 3.86Å; E106-I124 WeakPolarHBondContact O-CA 3.48Å; E106-I125 VanDerWaalsContact CB-O 3.26Å; E106-I125 WeakPolarHBondContact CB-O 3.38Å; E106-I125 WeakPolarHBondContact CG-O 3.25Å; E106-I125 PolarHBondContact O-N 2.89Å; E106-E127 HydrophobicContact CG-CG 4.19Å; E106-E127 PolarHBondContact OE1-N 2.84Å
107	I	98.3	Very high	96.3	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.087	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115.3	-179	-55.2	173.7	0	0	0	109	I85 I102 Y104 R105 L122 T152	I85-I107 HydrophobicContact CD1-CD1 3.87Å; I102-I107 HydrophobicContact CG2-CD1 4.2Å; I102-I107 HydrophobicContact CG2-CG1 3.96Å; Y104-I107 HydrophobicContact CD1-CD1 4.19Å; Y104-I107 WeakPolarHBondContact O-CB 3.38Å; Y104-I107 PolarHBondContact O-N 2.82Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.74Å; I107-L122 HydrophobicContact CD1-CD1 4.4Å; I107-L122 HydrophobicContact CG2-CD2 4.11Å; I107-T152 HydrophobicContact CB-CG2 4.48Å; I107-T152 HydrophobicContact CD1-CG2 3.82Å; I107-T152 HydrophobicContact CG2-CG2 4.01Å
108	K	97.7	Very high	96.7	Very high	73 Å²	73	50.5 Å²	50.5	32%	0.317	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-35.8	179.7	-57.3	-50.6	-178.5	-163	0	113.2	F54 R105 E106 C123 I125 F322	F54-K108 HydrophobicContact CD2-CB 4.45Å; F54-K108 HydrophobicContact CE2-CB 4.39Å; F54-K108 HydrophobicContact CE2-CG 4.46Å; R105-K108 PolarHBondContact O-NZ 3.04Å; E106-K108 PolarHBondContact O-N 3.02Å; K108-C123 PolarHBondContact N-O 3.19Å; K108-I125 HydrophobicContact CD-CD1 4.25Å; K108-I125 HydrophobicContact CD-CG1 4.47Å; K108-I125 HydrophobicContact CG-CB 4.46Å; K108-I125 HydrophobicContact CG-CD1 3.66Å; K108-I125 HydrophobicContact CG-CG1 3.64Å; K108-F322 WeakPolarHBondContact O-CE2 3.43Å
109	H	97.9	Very high	97	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.245	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.6	176.4	-54.4	-75.2	0	0	0	111.3	F111 C123	H109-F111 HydrophobicContact CB-CE2 3.99Å; H109-F111 HydrophobicContact CB-CZ 4.17Å; H109-C123 HydrophobicContact CB-CB 3.8Å; H109-C123 PolarHBondContact O-N 3.34Å
110	F	97.9	Very high	97.2	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.9	174.2	-167.4	-73	0	0	0	108	I112 F120 L122 I148 C149 T152 L290	F110-I112 HydrophobicContact CD1-CD1 4.35Å; F110-I112 HydrophobicContact CD1-CG1 3.86Å; F110-I112 HydrophobicContact CE1-CD1 3.97Å; F110-I112 HydrophobicContact CE1-CG1 3.56Å; F110-F120 HydrophobicContact CE1-CB 3.77Å; F110-F120 HydrophobicContact CE1-CD2 4.19Å; F110-F120 HydrophobicContact CE1-CG 4.21Å; F110-F120 AromaticContact CE2-CD2 3.72Å; F110-F120 HydrophobicContact CE2-CD2 3.72Å; F110-F120 HydrophobicContact CE2-CE2 4.11Å; F110-F120 HydrophobicContact CE2-CG 4.44Å; F110-F120 HydrophobicContact CZ-CB 3.83Å; F110-F120 AromaticContact CZ-CD2 3.46Å; F110-F120 HydrophobicContact CZ-CD2 3.46Å; F110-F120 VanDerWaalsContact CZ-CD2 3.46Å; F110-F120 HydrophobicContact CZ-CE2 4.14Å; F110-F120 AromaticContact CZ-CG 3.73Å; F110-F120 HydrophobicContact CZ-CG 3.73Å; F110-L122 HydrophobicContact CB-CD2 4.5Å; F110-L122 HydrophobicContact CD2-CD2 3.18Å; F110-L122 HydrophobicContact CE2-CD2 3.49Å; F110-L122 VanDerWaalsContact CE2-CD2 3.49Å; F110-L122 HydrophobicContact CG-CD2 4.07Å; F110-I148 HydrophobicContact CE2-CG2 3.64Å; F110-I148 HydrophobicContact CZ-CB 4.45Å; F110-I148 HydrophobicContact CZ-CG2 3.78Å; F110-C149 HydrophobicContact CD1-CB 4.24Å; F110-C149 HydrophobicContact CE1-CB 3.75Å; F110-C149 HydrophobicContact CZ-CB 4.05Å; F110-T152 HydrophobicContact CD2-CG2 4.05Å; F110-L290 HydrophobicContact CB-CD1 3.76Å; F110-L290 HydrophobicContact CB-CD2 3.75Å; F110-L290 HydrophobicContact CB-CG 3.7Å; F110-L290 HydrophobicContact CG-CD2 4.11Å
111	F	98.1	Very high	97.4	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.096	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.6	178.2	-65	-69.9	0	0	0	110.7	E56 A59 H109 F113 F120 M121 C123 Y134 F287	E56-F111 HydrophobicContact CB-CE1 4.11Å; E56-F111 HydrophobicContact CB-CZ 4.46Å; E56-F111 HydrophobicContact CG-CE1 4.2Å; A59-F111 HydrophobicContact CB-CD2 3.6Å; A59-F111 HydrophobicContact CB-CE2 3.73Å; A59-F111 HydrophobicContact CB-CG 4.04Å; A59-F111 HydrophobicContact CB-CZ 4.29Å; H109-F111 HydrophobicContact CB-CE2 3.99Å; H109-F111 HydrophobicContact CB-CZ 4.17Å; F111-F113 HydrophobicContact CB-CE1 4.27Å; F111-F113 HydrophobicContact CB-CE2 4.46Å; F111-F113 HydrophobicContact CB-CZ 3.9Å; F111-F120 CarbonylContact O-C 3.57Å; F111-F120 VanDerWaalsContact O-CA 3.23Å; F111-F120 WeakPolarHBondContact O-CA 3.48Å; F111-F120 WeakPolarHBondContact O-CB 3.04Å; F111-M121 HydrophobicContact CB-CB 4.26Å; F111-M121 PolarHBondContact N-O 2.89Å; F111-M121 PolarHBondContact O-N 2.68Å; F111-C123 WeakPolarHBondContact CE2-SG 3.47Å; F111-Y134 HydrophobicContact CE2-CE1 4.16Å; F111-F287 HydrophobicContact CD1-CD1 4.44Å
112	I	96.9	Very high	97.4	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.169	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	146.6	168.8	-59.6	177.1	0	0	0	108.1	F110 V145 C149 F287 V293	F110-I112 HydrophobicContact CD1-CD1 4.35Å; F110-I112 HydrophobicContact CD1-CG1 3.86Å; F110-I112 HydrophobicContact CE1-CD1 3.97Å; F110-I112 HydrophobicContact CE1-CG1 3.56Å; I112-V145 HydrophobicContact CD1-CG1 4.15Å; I112-V145 HydrophobicContact CG1-CG1 4.11Å; I112-V145 HydrophobicContact CG2-CG1 4.37Å; I112-C149 HydrophobicContact CD1-CB 3.83Å; I112-F287 WeakPolarHBondContact O-CD1 3.45Å; I112-F287 VanDerWaalsContact O-CE1 3.32Å; I112-F287 WeakPolarHBondContact O-CE1 3.48Å; I112-V293 HydrophobicContact CD1-CG1 4.15Å; I112-V293 HydrophobicContact CD1-CG2 4.15Å
113	F	96.4	Very high	97.5	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	18%	0.184	C	C	.	.			trans	-117.9	110.9	-176.4	-53	-75.3	0	0	0	109.7	L63 F111 N115 Y116 L119 M121 L136 F287	L63-F113 HydrophobicContact CB-CE1 4.22Å; L63-F113 HydrophobicContact CB-CZ 4.29Å; L63-F113 HydrophobicContact CD1-CD1 4.39Å; L63-F113 HydrophobicContact CD1-CD2 3.68Å; L63-F113 HydrophobicContact CD1-CE1 4.38Å; L63-F113 HydrophobicContact CD1-CE2 3.68Å; L63-F113 HydrophobicContact CD1-CG 4.05Å; L63-F113 HydrophobicContact CD1-CZ 4.04Å; L63-F113 HydrophobicContact CD2-CB 3.91Å; L63-F113 HydrophobicContact CD2-CD1 3.3Å; L63-F113 HydrophobicContact CD2-CD2 4Å; L63-F113 HydrophobicContact CD2-CE1 3.73Å; L63-F113 HydrophobicContact CD2-CE2 4.37Å; L63-F113 HydrophobicContact CD2-CG 3.44Å; L63-F113 VanDerWaalsContact CD2-CG 3.44Å; L63-F113 HydrophobicContact CD2-CZ 4.24Å; L63-F113 HydrophobicContact CG-CD1 4.28Å; L63-F113 HydrophobicContact CG-CD2 4.42Å; L63-F113 HydrophobicContact CG-CE1 4.32Å; L63-F113 HydrophobicContact CG-CE2 4.47Å; L63-F113 HydrophobicContact CG-CG 4.32Å; L63-F113 HydrophobicContact CG-CZ 4.42Å; F111-F113 HydrophobicContact CB-CE1 4.27Å; F111-F113 HydrophobicContact CB-CE2 4.46Å; F111-F113 HydrophobicContact CB-CZ 3.9Å; F113-N115 VanDerWaalsContact C-N 3.26Å; F113-N115 PolarHBondContact O-N 2.93Å; F113-Y116 HydrophobicContact CB-CD2 4.29Å; F113-Y116 CarbonylContact O-C 3.57Å; F113-Y116 WeakPolarHBondContact O-CA 3.47Å; F113-Y116 PolarHBondContact O-N 2.89Å; F113-L119 HydrophobicContact CD2-CB 4.1Å; F113-M121 HydrophobicContact CE2-CB 3.89Å; F113-M121 HydrophobicContact CZ-CB 3.87Å; F113-M121 HydrophobicContact CZ-CE 4.08Å; F113-L136 HydrophobicContact CE2-CD1 4.15Å; F113-F287 AromaticContact CD1-CE1 3.47Å; F113-F287 HydrophobicContact CD1-CE1 3.47Å; F113-F287 VanDerWaalsContact CD1-CE1 3.47Å; F113-F287 AromaticContact CD1-CZ 3.82Å; F113-F287 HydrophobicContact CD1-CZ 3.82Å; F113-F287 AromaticContact CE1-CE1 3.73Å; F113-F287 HydrophobicContact CE1-CE1 3.73Å; F113-F287 HydrophobicContact CE1-CZ 4.17Å
114	P	94.3	Very high	97.5	Very high	62 Å²	62	35.5 Å²	35.5	40%	0.403	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.9	-177.8	-26.8	33.9	0	0	0	113.3	Y116 K286	P114-Y116 PolarHBondContact O-N 3.2Å; P114-K286 WeakPolarHBondContact CG-O 3.2Å
115	N	95.5	Very high	97.5	Very high	91 Å²	91	37.2 Å²	37.2	49%	0.487	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.3	178.5	-62.7	-19.1	0	0	0	113.1	F113 S285	F113-N115 VanDerWaalsContact C-N 3.26Å; F113-N115 PolarHBondContact O-N 2.93Å; N115-S285 PolarHBondContact ND2-OG 3Å
116	Y	96.5	Very high	97.4	Very high	93 Å²	93	33.1 Å²	33.1	37%	0.365	17%	0.165	S	C	.	.			trans	-138.8	69.6	-179.8	-55.7	-77.7	0	0	0	110.4	L63 I67 F113 P114 K118 L119	L63-Y116 HydrophobicContact CD2-CD2 3.65Å; L63-Y116 HydrophobicContact CD2-CE2 3.95Å; L63-Y116 HydrophobicContact CG-CD2 4.41Å; I67-Y116 HydrophobicContact CD1-CD1 3.6Å; I67-Y116 HydrophobicContact CD1-CD2 3.66Å; I67-Y116 HydrophobicContact CD1-CE1 3.54Å; I67-Y116 HydrophobicContact CD1-CE2 3.58Å; I67-Y116 HydrophobicContact CD1-CG 3.65Å; I67-Y116 HydrophobicContact CG2-CE1 4.09Å; F113-Y116 HydrophobicContact CB-CD2 4.29Å; F113-Y116 CarbonylContact O-C 3.57Å; F113-Y116 WeakPolarHBondContact O-CA 3.47Å; F113-Y116 PolarHBondContact O-N 2.89Å; P114-Y116 PolarHBondContact O-N 3.2Å; Y116-K118 PolarHBondContact O-N 2.91Å; Y116-L119 HydrophobicContact CD1-CD1 4.34Å; Y116-L119 HydrophobicContact CG-CD1 4.05Å; Y116-L119 WeakPolarHBondContact O-CB 3.38Å; Y116-L119 PolarHBondContact O-N 3.14Å
117	P	97	Very high	97.2	Very high	69 Å²	69	36.8 Å²	36.8	45%	0.448	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-8.7	-167.2	27.5	-37.2	0	0	0	114.4	Y142 V145	P117-Y142 WeakPolarHBondContact O-CA 3.23Å; P117-Y142 WeakPolarHBondContact O-CB 3.38Å; P117-V145 WeakPolarHBondContact O-CG2 3.44Å
118	K	97.3	Very high	97	Very high	91 Å²	91	42.8 Å²	42.8	40%	0.396	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.3	174.3	-59.4	-172.5	-179.9	-160.7	0	113	Y116 Q138 C139 M140	Y116-K118 PolarHBondContact O-N 2.91Å; K118-Q138 CarbonylContact O-C 3.57Å; K118-Q138 WeakPolarHBondContact O-CA 3.49Å; K118-C139 PolarHBondContact O-N 2.82Å; K118-M140 WeakPolarHBondContact CD-O 3.45Å; K118-M140 WeakPolarHBondContact CE-O 3.25Å; K118-M140 PolarHBondContact NZ-O 2.71Å
119	L	97.6	Very high	96.9	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.9	-177.5	-60.5	-175	0	0	0	110.5	I43 L63 I67 F113 Y116 Y137 Q138	I43-L119 HydrophobicContact CD1-CD2 3.48Å; I43-L119 VanDerWaalsContact CD1-CD2 3.48Å; L63-L119 HydrophobicContact CD1-CB 4.43Å; L63-L119 HydrophobicContact CD1-CD1 3.77Å; I67-L119 HydrophobicContact CD1-CD1 3.45Å; I67-L119 VanDerWaalsContact CD1-CD1 3.45Å; I67-L119 HydrophobicContact CG1-CD1 3.8Å; F113-L119 HydrophobicContact CD2-CB 4.1Å; Y116-L119 HydrophobicContact CD1-CD1 4.34Å; Y116-L119 HydrophobicContact CG-CD1 4.05Å; Y116-L119 WeakPolarHBondContact O-CB 3.38Å; Y116-L119 PolarHBondContact O-N 3.14Å; L119-Y137 WeakPolarHBondContact CA-O 3.42Å; L119-Y137 WeakPolarHBondContact CD2-O 3.45Å; L119-Q138 HydrophobicContact CD2-CB 3.36Å; L119-Q138 HydrophobicContact CD2-CG 3.63Å
120	F	98.3	Very high	96.7	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.4	168.8	69	-85.1	0	0	0	109.8	L40 F110 F111 L122 Y137 V145 I148	L40-F120 HydrophobicContact CD1-CZ 4.04Å; L40-F120 HydrophobicContact CD2-CE1 4.04Å; L40-F120 HydrophobicContact CD2-CZ 4.37Å; F110-F120 HydrophobicContact CE1-CB 3.77Å; F110-F120 HydrophobicContact CE1-CD2 4.19Å; F110-F120 HydrophobicContact CE1-CG 4.21Å; F110-F120 AromaticContact CE2-CD2 3.72Å; F110-F120 HydrophobicContact CE2-CD2 3.72Å; F110-F120 HydrophobicContact CE2-CE2 4.11Å; F110-F120 HydrophobicContact CE2-CG 4.44Å; F110-F120 HydrophobicContact CZ-CB 3.83Å; F110-F120 AromaticContact CZ-CD2 3.46Å; F110-F120 HydrophobicContact CZ-CD2 3.46Å; F110-F120 VanDerWaalsContact CZ-CD2 3.46Å; F110-F120 HydrophobicContact CZ-CE2 4.14Å; F110-F120 AromaticContact CZ-CG 3.73Å; F110-F120 HydrophobicContact CZ-CG 3.73Å; F111-F120 CarbonylContact O-C 3.57Å; F111-F120 VanDerWaalsContact O-CA 3.23Å; F111-F120 WeakPolarHBondContact O-CA 3.48Å; F111-F120 WeakPolarHBondContact O-CB 3.04Å; F120-L122 HydrophobicContact CD2-CD2 4.25Å; F120-L122 HydrophobicContact CD2-CG 4.23Å; F120-L122 HydrophobicContact CE2-CD1 4.29Å; F120-L122 HydrophobicContact CE2-CD2 4.25Å; F120-L122 HydrophobicContact CE2-CG 3.99Å; F120-Y137 HydrophobicContact CD2-CD2 4.29Å; F120-Y137 VanDerWaalsContact CE1-CB 3.44Å; F120-Y137 HydrophobicContact CE1-CG 4.33Å; F120-Y137 AromaticContact CE2-CD2 3.66Å; F120-Y137 HydrophobicContact CE2-CD2 3.66Å; F120-Y137 AromaticContact CE2-CG 3.89Å; F120-Y137 HydrophobicContact CE2-CG 3.89Å; F120-Y137 HydrophobicContact CZ-CD1 4.48Å; F120-Y137 AromaticContact CZ-CD2 4Å; F120-Y137 HydrophobicContact CZ-CD2 4Å; F120-Y137 AromaticContact CZ-CG 3.72Å; F120-Y137 HydrophobicContact CZ-CG 3.72Å; F120-Y137 PolarHBondContact N-O 3.09Å; F120-Y137 VanDerWaalsContact N-O 3.14Å; F120-Y137 PolarHBondContact O-N 2.91Å; F120-V145 HydrophobicContact CB-CG1 4Å; F120-V145 HydrophobicContact CD1-CG1 4.38Å; F120-V145 HydrophobicContact CD1-CG2 4.18Å; F120-I148 HydrophobicContact CE1-CD1 3.99Å; F120-I148 HydrophobicContact CE2-CG2 4.3Å; F120-I148 HydrophobicContact CZ-CD1 4.12Å; F120-I148 HydrophobicContact CZ-CG2 4.25Å
121	M	98.5	Very high	96.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.1	-179.9	-172.4	-177.6	-66.2	0	0	110.6	A59 L62 F111 F113 Y134 E135 L136	A59-M121 HydrophobicContact CB-SD 3.79Å; A59-M121 WeakPolarHBondContact O-CE 3.38Å; L62-M121 HydrophobicContact CB-CE 4.08Å; F111-M121 HydrophobicContact CB-CB 4.26Å; F111-M121 PolarHBondContact N-O 2.89Å; F111-M121 PolarHBondContact O-N 2.68Å; F113-M121 HydrophobicContact CE2-CB 3.89Å; F113-M121 HydrophobicContact CZ-CB 3.87Å; F113-M121 HydrophobicContact CZ-CE 4.08Å; M121-Y134 HydrophobicContact CG-CD1 4.13Å; M121-Y134 HydrophobicContact SD-CD1 3.34Å; M121-Y134 WeakPolarHBondContact SD-CD1 3.44Å; M121-Y134 HydrophobicContact SD-CE1 4.1Å; M121-Y134 HydrophobicContact SD-CG 4.02Å; M121-E135 CarbonylContact C-O 3.52Å; M121-E135 VanDerWaalsContact CA-O 3.29Å; M121-E135 WeakPolarHBondContact CA-O 3.47Å; M121-L136 HydrophobicContact CB-CD1 4.23Å; M121-L136 HydrophobicContact CE-CB 4.22Å; M121-L136 HydrophobicContact CE-CD1 3.96Å; M121-L136 HydrophobicContact CE-CG 4.45Å
122	L	98.5	Very high	96.7	Very high	3 Å²	3	56 Å²	56	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.5	173.3	-61.4	-178.7	0	0	0	110.1	I102 I107 F110 F120 I124 Y134 E135 Y137	I102-L122 HydrophobicContact CD1-CD1 4.02Å; I107-L122 HydrophobicContact CD1-CD1 4.4Å; I107-L122 HydrophobicContact CG2-CD2 4.11Å; F110-L122 HydrophobicContact CB-CD2 4.5Å; F110-L122 HydrophobicContact CD2-CD2 3.18Å; F110-L122 HydrophobicContact CE2-CD2 3.49Å; F110-L122 VanDerWaalsContact CE2-CD2 3.49Å; F110-L122 HydrophobicContact CG-CD2 4.07Å; F120-L122 HydrophobicContact CD2-CD2 4.25Å; F120-L122 HydrophobicContact CD2-CG 4.23Å; F120-L122 HydrophobicContact CE2-CD1 4.29Å; F120-L122 HydrophobicContact CE2-CD2 4.25Å; F120-L122 HydrophobicContact CE2-CG 3.99Å; L122-I124 HydrophobicContact CB-CD1 3.93Å; L122-I124 HydrophobicContact CB-CG1 3.86Å; L122-I124 HydrophobicContact CD1-CD1 4.24Å; L122-Y134 WeakPolarHBondContact O-CA 3.29Å; L122-E135 PolarHBondContact N-O 3.42Å; L122-E135 PolarHBondContact O-N 2.97Å; L122-Y137 HydrophobicContact CB-CE2 4.39Å; L122-Y137 HydrophobicContact CD1-CD2 4.45Å; L122-Y137 HydrophobicContact CD1-CE2 3.92Å; L122-Y137 HydrophobicContact CG-CD2 4.35Å; L122-Y137 HydrophobicContact CG-CE2 4.13Å
123	C	98.6	Very high	96.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.7	166.1	-64.3	0	0	0	0	108.5	F54 K108 H109 F111 Y134	F54-C123 HydrophobicContact CB-CB 4.47Å; F54-C123 HydrophobicContact CD1-CB 3.5Å; F54-C123 VanDerWaalsContact CD1-SG 3.52Å; F54-C123 HydrophobicContact CD2-CB 3.97Å; F54-C123 HydrophobicContact CE1-CB 3.53Å; F54-C123 HydrophobicContact CE2-CB 3.99Å; F54-C123 HydrophobicContact CG-CB 3.74Å; F54-C123 HydrophobicContact CZ-CB 3.79Å; K108-C123 PolarHBondContact N-O 3.19Å; H109-C123 HydrophobicContact CB-CB 3.8Å; H109-C123 PolarHBondContact O-N 3.34Å; F111-C123 WeakPolarHBondContact CE2-SG 3.47Å; C123-Y134 WeakPolarHBondContact SG-CD1 3.43Å; C123-Y134 WeakPolarHBondContact SG-CE1 3.3Å
124	I	98.2	Very high	96.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.9	-169.5	-56.2	173.4	0	0	0	109.6	I102 E106 L122 R132 S133 E135	I102-I124 HydrophobicContact CD1-CD1 3.9Å; I102-I124 HydrophobicContact CG2-CD1 3.79Å; I102-I124 HydrophobicContact CG2-CG1 4.43Å; I102-I124 HydrophobicContact CG2-CG2 4.42Å; E106-I124 HydrophobicContact CB-CG2 3.86Å; E106-I124 WeakPolarHBondContact O-CA 3.48Å; L122-I124 HydrophobicContact CB-CD1 3.93Å; L122-I124 HydrophobicContact CB-CG1 3.86Å; L122-I124 HydrophobicContact CD1-CD1 4.24Å; I124-R132 CarbonylContact O-C 3.48Å; I124-R132 WeakPolarHBondContact O-CA 3.48Å; I124-S133 PolarHBondContact N-O 3.08Å; I124-S133 PolarHBondContact O-N 2.9Å; I124-E135 HydrophobicContact CD1-CG 4.3Å; I124-E135 WeakPolarHBondContact CD1-OE2 3.32Å
125	I	97.7	Very high	97	Very high	44 Å²	44	51.5 Å²	51.5	23%	0.226	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	104.6	165.9	-55.3	-171.7	0	0	0	107	F54 E106 K108 E127 R132	F54-I125 HydrophobicContact CE2-CD1 4.26Å; F54-I125 HydrophobicContact CE2-CG1 3.82Å; F54-I125 HydrophobicContact CZ-CG1 4.37Å; E106-I125 VanDerWaalsContact CB-O 3.26Å; E106-I125 WeakPolarHBondContact CB-O 3.38Å; E106-I125 WeakPolarHBondContact CG-O 3.25Å; E106-I125 PolarHBondContact O-N 2.89Å; K108-I125 HydrophobicContact CD-CD1 4.25Å; K108-I125 HydrophobicContact CD-CG1 4.47Å; K108-I125 HydrophobicContact CG-CB 4.46Å; K108-I125 HydrophobicContact CG-CD1 3.66Å; K108-I125 HydrophobicContact CG-CG1 3.64Å; I125-E127 PolarHBondContact O-N 2.92Å; I125-E127 VanDerWaalsContact O-N 3.16Å; I125-R132 HydrophobicContact CD1-CG 4.43Å; I125-R132 HydrophobicContact CG1-CG 4.03Å; I125-R132 HydrophobicContact CG2-CG 4.39Å
126	D	96.4	Very high	97.1	Very high	14 Å²	14	47.3 Å²	47.3	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	105.1	173.1	-175.9	-33.3	0	0	0	108	R99 N128 K129 N130 K131	R99-D126 IonicContact NH1-OD2 3.63Å; D126-N128 PolarHBondContact O-N 2.79Å; D126-N128 WeakPolarHBondContact OD1-CB 3.16Å; D126-N128 PolarHBondContact OD1-N 3.26Å; D126-N128 VanDerWaalsContact OD1-N 3.15Å; D126-K129 HydrophobicContact CB-CB 4.37Å; D126-K129 PolarHBondContact O-N 3.26Å; D126-K129 PolarHBondContact OD1-N 2.94Å; D126-K129 WeakPolarHBondContact OD2-CD 3.38Å; D126-K129 IonicContact OD2-NZ 3.43Å; D126-N130 VanDerWaalsContact O-CA 3.25Å; D126-N130 WeakPolarHBondContact O-CA 3.33Å; D126-N130 PolarHBondContact O-N 3.44Å; D126-K131 PolarHBondContact N-O 2.54Å; D126-K131 PolarHBondContact O-N 3.2Å
127	E	94.3	Very high	97.2	Very high	84 Å²	84	43 Å²	43	39%	0.393	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-33.4	-175.3	-72.6	175.4	-174.2	0	0	110.8	R105 E106 I125	R105-E127 IonicContact CZ-OE1 3.84Å; R105-E127 IonicContact CZ-OE2 3.95Å; R105-E127 IonicContact NE-OE1 3.23Å; R105-E127 PolarHBondContact NE-OE1 3.24Å; R105-E127 IonicContact NE-OE2 3.74Å; R105-E127 PolarHBondContact NE-OE2 3.46Å; R105-E127 IonicContact NH2-OE1 3.46Å; R105-E127 IonicContact NH2-OE2 2.71Å; R105-E127 PolarHBondContact NH2-OE2 3.44Å; E106-E127 HydrophobicContact CG-CG 4.19Å; E106-E127 PolarHBondContact OE1-N 2.84Å; I125-E127 PolarHBondContact O-N 2.92Å; I125-E127 VanDerWaalsContact O-N 3.16Å
128	N	94.4	Very high	97.2	Very high	143 Å²	143	41.4 Å²	41.4	77%	0.765	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-37.1	-177.8	-60.6	-61.1	0	0	0	112.4	D126	D126-N128 PolarHBondContact O-N 2.79Å; D126-N128 WeakPolarHBondContact OD1-CB 3.16Å; D126-N128 PolarHBondContact OD1-N 3.26Å; D126-N128 VanDerWaalsContact OD1-N 3.15Å
129	K	94.7	Very high	97.2	Very high	136 Å²	136	37.2 Å²	37.2	59%	0.591	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.4	-177.8	-62.3	-179	-168.3	149.1	0	113.5	D126 K131	D126-K129 HydrophobicContact CB-CB 4.37Å; D126-K129 PolarHBondContact O-N 3.26Å; D126-K129 PolarHBondContact OD1-N 2.94Å; D126-K129 WeakPolarHBondContact OD2-CD 3.38Å; D126-K129 IonicContact OD2-NZ 3.43Å; K129-K131 HydrophobicContact CB-CB 4.28Å; K129-K131 HydrophobicContact CB-CD 4.31Å; K129-K131 HydrophobicContact CB-CG 4.1Å; K129-K131 PolarHBondContact O-N 3.12Å
130	N	94.6	Very high	97.1	Very high	131 Å²	131	39.7 Å²	39.7	70%	0.701	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	42	-169.4	-165	24.3	0	0	0	112.4	D126	D126-N130 VanDerWaalsContact O-CA 3.25Å; D126-N130 WeakPolarHBondContact O-CA 3.33Å; D126-N130 PolarHBondContact O-N 3.44Å
131	K	97	Very high	96.9	Very high	109 Å²	109	43.7 Å²	43.7	47%	0.474	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.5	-178	-76	-173.2	-178.9	-173.6	0	110.8	F47 D126 K129	F47-K131 HydrophobicContact CD1-CB 4.16Å; F47-K131 HydrophobicContact CD1-CD 4.22Å; F47-K131 HydrophobicContact CE1-CB 4.23Å; F47-K131 HydrophobicContact CE1-CD 4.12Å; D126-K131 PolarHBondContact N-O 2.54Å; D126-K131 PolarHBondContact O-N 3.2Å; K129-K131 HydrophobicContact CB-CB 4.28Å; K129-K131 HydrophobicContact CB-CD 4.31Å; K129-K131 HydrophobicContact CB-CG 4.1Å; K129-K131 PolarHBondContact O-N 3.12Å
132	R	98	Very high	96.8	Very high	56 Å²	56	49.2 Å²	49.2	21%	0.211	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.2	175.9	-55.3	-172.9	-62.2	-152.9	-8.1	110	F47 L48 K49 N50 E52 F54 I124 I125	F47-R132 WeakPolarHBondContact CA-O 3.22Å; L48-R132 HydrophobicContact CB-CB 4.13Å; L48-R132 HydrophobicContact CD1-CB 4.13Å; L48-R132 PolarHBondContact N-O 3.05Å; K49-R132 PolarHBondContact O-NH2 3.26Å; N50-R132 PolarHBondContact O-NH2 2.99Å; E52-R132 PolarHBondContact O-NE 3.17Å; E52-R132 PolarHBondContact O-NH1 3.43Å; E52-R132 PolarHBondContact O-NH2 3.27Å; F54-R132 HydrophobicContact CE2-CB 4.4Å; F54-R132 HydrophobicContact CZ-CB 3.84Å; I124-R132 CarbonylContact O-C 3.48Å; I124-R132 WeakPolarHBondContact O-CA 3.48Å; I125-R132 HydrophobicContact CD1-CG 4.43Å; I125-R132 HydrophobicContact CG1-CG 4.03Å; I125-R132 HydrophobicContact CG2-CG 4.39Å
133	S	98.5	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.5	-178.8	59.5	0	0	0	0	113.7	K46 R99 I124 E135	K46-S133 CarbonylContact O-C 3.54Å; K46-S133 WeakPolarHBondContact O-CA 3.36Å; K46-S133 WeakPolarHBondContact O-CB 3.34Å; R99-S133 PolarHBondContact NH2-OG 3Å; I124-S133 PolarHBondContact N-O 3.08Å; I124-S133 PolarHBondContact O-N 2.9Å; S133-E135 PolarHBondContact OG-OE1 2.89Å
134	Y	98.5	Very high	96.7	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.2	160	-71.8	-83.4	0	0	0	109.5	Q45 K46 L48 F54 T55 N58 A59 L62 F111 M121 L122 C123	Q45-Y134 CarbonylContact C-O 3.57Å; Q45-Y134 VanDerWaalsContact CA-O 3.3Å; Q45-Y134 WeakPolarHBondContact CA-O 3.37Å; K46-Y134 PolarHBondContact N-O 3.33Å; K46-Y134 PolarHBondContact O-N 3.07Å; L48-Y134 HydrophobicContact CD1-CD2 4.13Å; L48-Y134 HydrophobicContact CD1-CE2 3.79Å; L48-Y134 HydrophobicContact CD2-CD2 3.82Å; L48-Y134 HydrophobicContact CD2-CE2 3.54Å; L48-Y134 HydrophobicContact CG-CD2 4.04Å; L48-Y134 HydrophobicContact CG-CE2 4Å; F54-Y134 WeakPolarHBondContact CA-OH 3.39Å; F54-Y134 HydrophobicContact CD1-CD1 4.36Å; F54-Y134 HydrophobicContact CD1-CD2 4.28Å; F54-Y134 AromaticContact CD1-CE1 3.95Å; F54-Y134 HydrophobicContact CD1-CE1 3.95Å; F54-Y134 AromaticContact CD1-CE2 3.82Å; F54-Y134 HydrophobicContact CD1-CE2 3.82Å; F54-Y134 AromaticContact CD1-CZ 3.67Å; F54-Y134 HydrophobicContact CE1-CD2 4.37Å; F54-Y134 HydrophobicContact CE1-CE2 4.33Å; T55-Y134 PolarHBondContact N-OH 2.87Å; T55-Y134 PolarHBondContact O-OH 3.26Å; N58-Y134 HydrophobicContact CB-CE2 4.21Å; N58-Y134 WeakPolarHBondContact CB-OH 3.4Å; A59-Y134 HydrophobicContact CB-CE1 3.96Å; L62-Y134 HydrophobicContact CD1-CD1 4.39Å; L62-Y134 HydrophobicContact CD1-CD2 3.64Å; L62-Y134 HydrophobicContact CD1-CE2 4.21Å; L62-Y134 HydrophobicContact CD1-CG 3.72Å; F111-Y134 HydrophobicContact CE2-CE1 4.16Å; M121-Y134 HydrophobicContact CG-CD1 4.13Å; M121-Y134 HydrophobicContact SD-CD1 3.34Å; M121-Y134 WeakPolarHBondContact SD-CD1 3.44Å; M121-Y134 HydrophobicContact SD-CE1 4.1Å; M121-Y134 HydrophobicContact SD-CG 4.02Å; L122-Y134 WeakPolarHBondContact O-CA 3.29Å; C123-Y134 WeakPolarHBondContact SG-CD1 3.43Å; C123-Y134 WeakPolarHBondContact SG-CE1 3.3Å
135	E	97.6	Very high	96.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.7	177.3	-66.9	-176.8	-172.7	0	0	110.6	Q45 F98 R99 M121 L122 I124 S133 Y137	Q45-E135 HydrophobicContact CB-CG 4.22Å; Q45-E135 HydrophobicContact CG-CG 3.87Å; Q45-E135 PolarHBondContact NE2-OE1 3.32Å; F98-E135 HydrophobicContact CD2-CB 4.35Å; F98-E135 HydrophobicContact CD2-CG 4.15Å; R99-E135 IonicContact CZ-OE1 2.84Å; R99-E135 IonicContact NE-OE1 3.09Å; R99-E135 PolarHBondContact NE-OE1 3.42Å; R99-E135 IonicContact NE-OE2 3Å; R99-E135 IonicContact NH2-OE1 3.83Å; R99-E135 PolarHBondContact NH2-OE1 2.92Å; M121-E135 CarbonylContact C-O 3.52Å; M121-E135 VanDerWaalsContact CA-O 3.29Å; M121-E135 WeakPolarHBondContact CA-O 3.47Å; L122-E135 PolarHBondContact N-O 3.42Å; L122-E135 PolarHBondContact O-N 2.97Å; I124-E135 HydrophobicContact CD1-CG 4.3Å; I124-E135 WeakPolarHBondContact CD1-OE2 3.32Å; S133-E135 PolarHBondContact OG-OE1 2.89Å; E135-Y137 HydrophobicContact CB-CD2 4.31Å; E135-Y137 HydrophobicContact CB-CE2 3.43Å; E135-Y137 VanDerWaalsContact CB-CE2 3.43Å; E135-Y137 VanDerWaalsContact O-CD2 3.31Å; E135-Y137 WeakPolarHBondContact O-CD2 3.42Å; E135-Y137 WeakPolarHBondContact O-CE2 3.44Å; E135-Y137 PolarHBondContact OE2-OH 2.75Å
136	L	97.4	Very high	96.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.1	-176.1	-178.4	62.3	0	0	0	111.1	I43 K44 L63 Y66 F113 M121	I43-L136 HydrophobicContact CB-CB 4.25Å; I43-L136 HydrophobicContact CB-CD2 4.06Å; I43-L136 HydrophobicContact CB-CG 3.97Å; I43-L136 WeakPolarHBondContact CB-O 3.44Å; I43-L136 HydrophobicContact CD1-CD2 4.08Å; I43-L136 HydrophobicContact CD1-CG 3.9Å; I43-L136 HydrophobicContact CG1-CG 4.47Å; I43-L136 HydrophobicContact CG2-CD2 3.74Å; I43-L136 HydrophobicContact CG2-CG 4.24Å; I43-L136 PolarHBondContact N-O 3Å; K44-L136 PolarHBondContact O-N 2.98Å; L63-L136 HydrophobicContact CD1-CD1 3.77Å; L63-L136 HydrophobicContact CD1-CD2 4.19Å; Y66-L136 HydrophobicContact CD2-CD2 4.44Å; F113-L136 HydrophobicContact CE2-CD1 4.15Å; M121-L136 HydrophobicContact CB-CD1 4.23Å; M121-L136 HydrophobicContact CE-CB 4.22Å; M121-L136 HydrophobicContact CE-CD1 3.96Å; M121-L136 HydrophobicContact CE-CG 4.45Å
137	Y	97.3	Very high	96.6	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.5	-175	-64.7	-87.5	0	0	0	111.4	L40 L42 I87 L119 F120 L122 E135	L40-Y137 HydrophobicContact CD1-CD1 3.98Å; L42-Y137 HydrophobicContact CD2-CD1 3.5Å; L42-Y137 HydrophobicContact CD2-CE1 3.28Å; I87-Y137 HydrophobicContact CD1-CE1 4.23Å; L119-Y137 WeakPolarHBondContact CA-O 3.42Å; L119-Y137 WeakPolarHBondContact CD2-O 3.45Å; F120-Y137 HydrophobicContact CD2-CD2 4.29Å; F120-Y137 VanDerWaalsContact CE1-CB 3.44Å; F120-Y137 HydrophobicContact CE1-CG 4.33Å; F120-Y137 AromaticContact CE2-CD2 3.66Å; F120-Y137 HydrophobicContact CE2-CD2 3.66Å; F120-Y137 AromaticContact CE2-CG 3.89Å; F120-Y137 HydrophobicContact CE2-CG 3.89Å; F120-Y137 HydrophobicContact CZ-CD1 4.48Å; F120-Y137 AromaticContact CZ-CD2 4Å; F120-Y137 HydrophobicContact CZ-CD2 4Å; F120-Y137 AromaticContact CZ-CG 3.72Å; F120-Y137 HydrophobicContact CZ-CG 3.72Å; F120-Y137 PolarHBondContact N-O 3.09Å; F120-Y137 VanDerWaalsContact N-O 3.14Å; F120-Y137 PolarHBondContact O-N 2.91Å; L122-Y137 HydrophobicContact CB-CE2 4.39Å; L122-Y137 HydrophobicContact CD1-CD2 4.45Å; L122-Y137 HydrophobicContact CD1-CE2 3.92Å; L122-Y137 HydrophobicContact CG-CD2 4.35Å; L122-Y137 HydrophobicContact CG-CE2 4.13Å; E135-Y137 HydrophobicContact CB-CD2 4.31Å; E135-Y137 HydrophobicContact CB-CE2 3.43Å; E135-Y137 VanDerWaalsContact CB-CE2 3.43Å; E135-Y137 VanDerWaalsContact O-CD2 3.31Å; E135-Y137 WeakPolarHBondContact O-CD2 3.42Å; E135-Y137 WeakPolarHBondContact O-CE2 3.44Å; E135-Y137 PolarHBondContact OE2-OH 2.75Å
138	Q	97.1	Very high	96.8	Very high	36 Å²	36	53.3 Å²	53.3	17%	0.168	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.5	172.7	177.6	171.3	29.9	0	0	111.2	L40 K41 I43 K118 L119	L40-Q138 CarbonylContact C-O 3.52Å; L40-Q138 WeakPolarHBondContact CA-O 3.37Å; K41-Q138 HydrophobicContact CB-CB 3.99Å; K41-Q138 PolarHBondContact N-O 2.92Å; K41-Q138 PolarHBondContact O-N 3.45Å; I43-Q138 HydrophobicContact CD1-CB 3.86Å; I43-Q138 HydrophobicContact CG1-CB 4.36Å; K118-Q138 CarbonylContact O-C 3.57Å; K118-Q138 WeakPolarHBondContact O-CA 3.49Å; L119-Q138 HydrophobicContact CD2-CB 3.36Å; L119-Q138 HydrophobicContact CD2-CG 3.63Å
139	C	97.5	Very high	97	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	164.1	169.4	-68.7	0	0	0	0	111.8	L40 K118 N141 D144 V145	L40-C139 HydrophobicContact CD2-CB 4.33Å; L40-C139 WeakPolarHBondContact CD2-SG 3.11Å; K118-C139 PolarHBondContact O-N 2.82Å; C139-N141 WeakPolarHBondContact CB-O 3.42Å; C139-D144 HydrophobicContact CB-CB 3.87Å; C139-V145 HydrophobicContact CB-CG2 3.79Å; C139-V145 VanDerWaalsContact SG-CG2 3.59Å
140	M	95.3	Very high	97	Very high	62 Å²	62	42.2 Å²	42.2	31%	0.305	21%	0.209	S	C	.	.	S	Bend	trans	-73.8	-39.3	169.6	-63.3	-61.6	177.8	0	0	111.1	K118	K118-M140 WeakPolarHBondContact CD-O 3.45Å; K118-M140 WeakPolarHBondContact CE-O 3.25Å; K118-M140 PolarHBondContact NZ-O 2.71Å
141	N	95.2	Very high	97.2	Very high	88 Å²	88	36.6 Å²	36.6	47%	0.471	18%	0.179	S	C	.	.	S	Bend	trans	-124.3	154.1	-178.6	-60.2	-41.7	0	0	0	111.5	C139 N143 D144	C139-N141 WeakPolarHBondContact CB-O 3.42Å; N141-N143 VanDerWaalsContact C-N 3.35Å; N141-D144 PolarHBondContact N-OD2 3.33Å; N141-D144 PolarHBondContact O-N 3.23Å
142	Y	96.1	Very high	97.2	Very high	118 Å²	118	31.5 Å²	31.5	46%	0.463	16%	0.158	S	C	.	.	H	α-helix	trans	-70.2	-33.8	175.9	76	-90.2	0	0	0	111.8	P117 D144 V145 C146	P117-Y142 WeakPolarHBondContact O-CA 3.23Å; P117-Y142 WeakPolarHBondContact O-CB 3.38Å; Y142-D144 PolarHBondContact O-N 3.39Å; Y142-V145 WeakPolarHBondContact O-CA 3.46Å; Y142-V145 VanDerWaalsContact O-CB 3.3Å; Y142-V145 WeakPolarHBondContact O-CB 3.45Å; Y142-V145 PolarHBondContact O-N 2.88Å; Y142-C146 PolarHBondContact O-N 2.81Å; Y142-C146 VanDerWaalsContact O-N 3.15Å
143	N	97	Very high	97.1	Very high	82 Å²	82	30.7 Å²	30.7	44%	0.439	16%	0.155	S	C	.	.	H	α-helix	trans	-54.1	-37.5	174.4	-73.5	-27.4	0	0	0	112.2	N141 V145 C146 I147	N141-N143 VanDerWaalsContact C-N 3.35Å; N143-V145 VanDerWaalsContact C-N 3.31Å; N143-V145 PolarHBondContact O-N 3.4Å; N143-C146 PolarHBondContact O-N 3.27Å; N143-I147 WeakPolarHBondContact O-CG1 3.28Å; N143-I147 PolarHBondContact O-N 3.47Å
144	D	97.7	Very high	97	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-39.9	176.3	-58.5	-27.2	0	0	0	110.7	F36 C139 N141 Y142 C146 I147 I148	F36-D144 HydrophobicContact CZ-CB 4.3Å; C139-D144 HydrophobicContact CB-CB 3.87Å; N141-D144 PolarHBondContact N-OD2 3.33Å; N141-D144 PolarHBondContact O-N 3.23Å; Y142-D144 PolarHBondContact O-N 3.39Å; D144-C146 VanDerWaalsContact C-N 3.34Å; D144-C146 PolarHBondContact O-N 2.92Å; D144-I147 PolarHBondContact O-N 2.99Å; D144-I148 WeakPolarHBondContact O-CB 3.45Å; D144-I148 WeakPolarHBondContact O-CD1 3.26Å; D144-I148 WeakPolarHBondContact O-CG1 3.43Å; D144-I148 PolarHBondContact O-N 3.46Å
145	V	98.1	Very high	97	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-44	176.7	-178.3	0	0	0	0	110.7	I112 P117 F120 C139 Y142 N143 I148 C149	I112-V145 HydrophobicContact CD1-CG1 4.15Å; I112-V145 HydrophobicContact CG1-CG1 4.11Å; I112-V145 HydrophobicContact CG2-CG1 4.37Å; P117-V145 WeakPolarHBondContact O-CG2 3.44Å; F120-V145 HydrophobicContact CB-CG1 4Å; F120-V145 HydrophobicContact CD1-CG1 4.38Å; F120-V145 HydrophobicContact CD1-CG2 4.18Å; C139-V145 HydrophobicContact CB-CG2 3.79Å; C139-V145 VanDerWaalsContact SG-CG2 3.59Å; Y142-V145 WeakPolarHBondContact O-CA 3.46Å; Y142-V145 VanDerWaalsContact O-CB 3.3Å; Y142-V145 WeakPolarHBondContact O-CB 3.45Å; Y142-V145 PolarHBondContact O-N 2.88Å; N143-V145 VanDerWaalsContact C-N 3.31Å; N143-V145 PolarHBondContact O-N 3.4Å; V145-I148 PolarHBondContact O-N 3.34Å; V145-C149 VanDerWaalsContact O-CB 3.29Å; V145-C149 WeakPolarHBondContact O-CB 3.49Å; V145-C149 PolarHBondContact O-N 2.9Å
146	C	96.5	Very high	96.9	Very high	65 Å²	65	35.6 Å²	35.6	44%	0.439	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-45.2	177.6	-59.9	0	0	0	0	112	Y142 N143 D144 C149 N150	Y142-C146 PolarHBondContact O-N 2.81Å; Y142-C146 VanDerWaalsContact O-N 3.15Å; N143-C146 PolarHBondContact O-N 3.27Å; D144-C146 VanDerWaalsContact C-N 3.34Å; D144-C146 PolarHBondContact O-N 2.92Å; C146-C149 PolarHBondContact O-N 3.27Å; C146-N150 WeakPolarHBondContact O-CB 3.3Å; C146-N150 PolarHBondContact O-N 3.44Å
147	I	96.9	Very high	96.8	Very high	54 Å²	54	40.5 Å²	40.5	28%	0.277	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-46.7	177.6	-65.7	165.5	0	0	0	110.5	F36 N143 D144 C149 N150 L151	F36-I147 HydrophobicContact CB-CG2 4.37Å; F36-I147 HydrophobicContact CD1-CG2 3.71Å; F36-I147 HydrophobicContact CD2-CG2 3.84Å; F36-I147 HydrophobicContact CE1-CB 4.18Å; F36-I147 HydrophobicContact CE1-CG2 3.84Å; F36-I147 HydrophobicContact CE2-CB 4.48Å; F36-I147 HydrophobicContact CE2-CD1 3.8Å; F36-I147 HydrophobicContact CE2-CG2 3.97Å; F36-I147 HydrophobicContact CG-CG2 3.72Å; F36-I147 HydrophobicContact CZ-CB 4.16Å; F36-I147 HydrophobicContact CZ-CD1 3.95Å; F36-I147 HydrophobicContact CZ-CG2 3.97Å; N143-I147 WeakPolarHBondContact O-CG1 3.28Å; N143-I147 PolarHBondContact O-N 3.47Å; D144-I147 PolarHBondContact O-N 2.99Å; I147-C149 VanDerWaalsContact C-N 3.33Å; I147-C149 PolarHBondContact O-N 2.96Å; I147-N150 PolarHBondContact O-N 3.39Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.31Å; I147-L151 WeakPolarHBondContact O-CG 3.33Å; I147-L151 PolarHBondContact O-N 2.88Å
148	I	97.9	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-44	179.2	-67.4	168.8	0	0	0	110.9	F36 L40 F80 F110 F120 D144 V145 L151 T152	F36-I148 HydrophobicContact CD1-CG1 4.24Å; F36-I148 HydrophobicContact CE1-CD1 4.48Å; F36-I148 HydrophobicContact CE1-CG1 3.88Å; L40-I148 HydrophobicContact CD2-CD1 4.11Å; F80-I148 HydrophobicContact CE1-CB 4.32Å; F80-I148 HydrophobicContact CE1-CG1 4.08Å; F80-I148 HydrophobicContact CE1-CG2 3.76Å; F80-I148 HydrophobicContact CE2-CD1 4.3Å; F80-I148 HydrophobicContact CE2-CG1 3.9Å; F80-I148 HydrophobicContact CZ-CB 4.15Å; F80-I148 HydrophobicContact CZ-CD1 3.92Å; F80-I148 HydrophobicContact CZ-CG1 3.47Å; F80-I148 VanDerWaalsContact CZ-CG1 3.47Å; F80-I148 HydrophobicContact CZ-CG2 3.75Å; F110-I148 HydrophobicContact CE2-CG2 3.64Å; F110-I148 HydrophobicContact CZ-CB 4.45Å; F110-I148 HydrophobicContact CZ-CG2 3.78Å; F120-I148 HydrophobicContact CE1-CD1 3.99Å; F120-I148 HydrophobicContact CE2-CG2 4.3Å; F120-I148 HydrophobicContact CZ-CD1 4.12Å; F120-I148 HydrophobicContact CZ-CG2 4.25Å; D144-I148 WeakPolarHBondContact O-CB 3.45Å; D144-I148 WeakPolarHBondContact O-CD1 3.26Å; D144-I148 WeakPolarHBondContact O-CG1 3.43Å; D144-I148 PolarHBondContact O-N 3.46Å; V145-I148 PolarHBondContact O-N 3.34Å; I148-L151 PolarHBondContact O-N 3.48Å; I148-T152 WeakPolarHBondContact O-CB 3.34Å; I148-T152 PolarHBondContact O-N 3.15Å; I148-T152 PolarHBondContact O-OG1 2.9Å
149	C	97.4	Very high	96.6	Very high	1 Å²	1	47 Å²	47	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-49.4	176.5	-178	0	0	0	0	110.8	F110 I112 V145 C146 I147 L151 T152 Y153	F110-C149 HydrophobicContact CD1-CB 4.24Å; F110-C149 HydrophobicContact CE1-CB 3.75Å; F110-C149 HydrophobicContact CZ-CB 4.05Å; I112-C149 HydrophobicContact CD1-CB 3.83Å; V145-C149 VanDerWaalsContact O-CB 3.29Å; V145-C149 WeakPolarHBondContact O-CB 3.49Å; V145-C149 PolarHBondContact O-N 2.9Å; C146-C149 PolarHBondContact O-N 3.27Å; I147-C149 VanDerWaalsContact C-N 3.33Å; I147-C149 PolarHBondContact O-N 2.96Å; C149-L151 PolarHBondContact O-N 3.27Å; C149-T152 PolarHBondContact O-N 3.38Å; C149-Y153 WeakPolarHBondContact O-CB 3.21Å; C149-Y153 PolarHBondContact O-N 3.44Å
150	N	96.4	Very high	96.5	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-44.8	178.6	-176.8	39	0	0	0	112.7	C146 I147 Y153 K154	C146-N150 WeakPolarHBondContact O-CB 3.3Å; C146-N150 PolarHBondContact O-N 3.44Å; I147-N150 PolarHBondContact O-N 3.39Å; N150-Y153 PolarHBondContact O-N 3.29Å; N150-K154 WeakPolarHBondContact O-CB 3.4Å; N150-K154 WeakPolarHBondContact O-CG 3.48Å; N150-K154 PolarHBondContact O-N 3.18Å
151	L	97.2	Very high	96.6	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-45.2	176.4	-68.4	176	0	0	0	111.3	F35 F36 F80 I147 I148 C149 Y153 K154 A155 L163	F35-L151 HydrophobicContact CB-CD2 4.4Å; F36-L151 HydrophobicContact CB-CD1 3.5Å; F36-L151 VanDerWaalsContact CB-CD1 3.5Å; F36-L151 HydrophobicContact CD1-CD1 4.23Å; F36-L151 HydrophobicContact CG-CD1 4.17Å; F80-L151 HydrophobicContact CB-CD1 3.96Å; F80-L151 HydrophobicContact CD1-CD1 4.17Å; F80-L151 HydrophobicContact CG-CD1 4.05Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.31Å; I147-L151 WeakPolarHBondContact O-CG 3.33Å; I147-L151 PolarHBondContact O-N 2.88Å; I148-L151 PolarHBondContact O-N 3.48Å; C149-L151 PolarHBondContact O-N 3.27Å; L151-Y153 VanDerWaalsContact C-N 3.29Å; L151-Y153 PolarHBondContact O-N 3.16Å; L151-K154 PolarHBondContact O-N 3.16Å; L151-A155 PolarHBondContact O-N 3.46Å; L151-L163 HydrophobicContact CB-CD1 4.25Å; L151-L163 HydrophobicContact CB-CD2 4.3Å; L151-L163 HydrophobicContact CD2-CD1 4.02Å; L151-L163 HydrophobicContact CD2-CD2 4.15Å; L151-L163 VanDerWaalsContact O-CD2 3.22Å; L151-L163 WeakPolarHBondContact O-CD2 3.3Å
152	T	97.6	Very high	96.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-37.6	178.3	-50.6	0	0	0	0	111.2	I107 F110 I148 C149 S156	I107-T152 HydrophobicContact CB-CG2 4.48Å; I107-T152 HydrophobicContact CD1-CG2 3.82Å; I107-T152 HydrophobicContact CG2-CG2 4.01Å; F110-T152 HydrophobicContact CD2-CG2 4.05Å; I148-T152 WeakPolarHBondContact O-CB 3.34Å; I148-T152 PolarHBondContact O-N 3.15Å; I148-T152 PolarHBondContact O-OG1 2.9Å; C149-T152 PolarHBondContact O-N 3.38Å; T152-S156 WeakPolarHBondContact O-CB 3.41Å; T152-S156 PolarHBondContact O-N 2.78Å
153	Y	96.8	Very high	96.6	Very high	38 Å²	38	44.8 Å²	44.8	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-50	174.5	176.4	-119.4	0	0	0	111.8	C149 N150 L151 A155 S156 I157 L290 H291 C294	C149-Y153 WeakPolarHBondContact O-CB 3.21Å; C149-Y153 PolarHBondContact O-N 3.44Å; N150-Y153 PolarHBondContact O-N 3.29Å; L151-Y153 VanDerWaalsContact C-N 3.29Å; L151-Y153 PolarHBondContact O-N 3.16Å; Y153-A155 VanDerWaalsContact C-N 3.29Å; Y153-A155 PolarHBondContact O-N 2.78Å; Y153-S156 WeakPolarHBondContact CA-OG 3.39Å; Y153-S156 WeakPolarHBondContact O-CA 3.39Å; Y153-S156 WeakPolarHBondContact O-CB 3.13Å; Y153-S156 PolarHBondContact O-N 3.37Å; Y153-S156 PolarHBondContact O-OG 3.11Å; Y153-I157 HydrophobicContact CD2-CG2 4.04Å; Y153-I157 HydrophobicContact CE1-CD1 4.3Å; Y153-I157 HydrophobicContact CE2-CG2 3.56Å; Y153-I157 PolarHBondContact O-N 2.84Å; Y153-I157 VanDerWaalsContact O-N 3.09Å; Y153-L290 HydrophobicContact CD2-CB 3.76Å; Y153-L290 HydrophobicContact CG-CB 4.44Å; Y153-H291 HydrophobicContact CE2-CB 4.44Å; Y153-C294 HydrophobicContact CD1-CB 3.3Å; Y153-C294 HydrophobicContact CE1-CB 3.57Å; Y153-C294 HydrophobicContact CG-CB 3.96Å
154	K	96.3	Very high	96.2	Very high	75 Å²	75	45.3 Å²	45.3	33%	0.326	23%	0.225	S	C	.	.	H	α-helix	trans	-55.4	-44.3	176.9	-77	-175.4	174.2	-163.1	0	112	N150 L151 S156 I157 D158 L163 T166	N150-K154 WeakPolarHBondContact O-CB 3.4Å; N150-K154 WeakPolarHBondContact O-CG 3.48Å; N150-K154 PolarHBondContact O-N 3.18Å; L151-K154 PolarHBondContact O-N 3.16Å; K154-S156 VanDerWaalsContact C-N 3.34Å; K154-I157 VanDerWaalsContact O-CG1 3.25Å; K154-I157 WeakPolarHBondContact O-CG1 3.42Å; K154-D158 PolarHBondContact O-N 2.81Å; K154-L163 HydrophobicContact CB-CD2 3.95Å; K154-T166 PolarHBondContact NZ-OG1 2.8Å
155	A	97.2	Very high	95.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.5	-33.8	173.8	0	0	0	0	0	112	Y104 L151 Y153 I157 D158 N161 L163	Y104-A155 HydrophobicContact CD1-CB 3.73Å; Y104-A155 HydrophobicContact CD2-CB 3.7Å; Y104-A155 HydrophobicContact CE1-CB 4.25Å; Y104-A155 HydrophobicContact CE2-CB 4.24Å; Y104-A155 HydrophobicContact CG-CB 3.44Å; Y104-A155 VanDerWaalsContact CG-CB 3.44Å; L151-A155 PolarHBondContact O-N 3.46Å; Y153-A155 VanDerWaalsContact C-N 3.29Å; Y153-A155 PolarHBondContact O-N 2.78Å; A155-I157 VanDerWaalsContact C-N 3.33Å; A155-I157 PolarHBondContact O-N 2.98Å; A155-D158 PolarHBondContact O-N 2.81Å; A155-N161 WeakPolarHBondContact O-CA 3.38Å; A155-N161 PolarHBondContact O-ND2 2.93Å; A155-L163 HydrophobicContact CB-CD2 4.07Å; A155-L163 HydrophobicContact CB-CG 4.3Å
156	S	96.2	Very high	93.5	Very high	31 Å²	31	53 Å²	53	22%	0.217	27%	0.266	C	S	.	.	H	α-helix	trans	-69.8	-27.1	-179.5	73.6	0	0	0	0	114.4	T152 Y153 K154	T152-S156 WeakPolarHBondContact O-CB 3.41Å; T152-S156 PolarHBondContact O-N 2.78Å; Y153-S156 WeakPolarHBondContact CA-OG 3.39Å; Y153-S156 WeakPolarHBondContact O-CA 3.39Å; Y153-S156 WeakPolarHBondContact O-CB 3.13Å; Y153-S156 PolarHBondContact O-N 3.37Å; Y153-S156 PolarHBondContact O-OG 3.11Å; K154-S156 VanDerWaalsContact C-N 3.34Å
157	I	95.1	Very high	91.2	Very high	106 Å²	106	56.7 Å²	56.7	54%	0.544	28%	0.28	S	S	.	.	H	α-helix	trans	-90.8	-12.4	178.6	63.6	172.9	0	0	0	113	Y153 K154 A155	Y153-I157 HydrophobicContact CD2-CG2 4.04Å; Y153-I157 HydrophobicContact CE1-CD1 4.3Å; Y153-I157 HydrophobicContact CE2-CG2 3.56Å; Y153-I157 PolarHBondContact O-N 2.84Å; Y153-I157 VanDerWaalsContact O-N 3.09Å; K154-I157 VanDerWaalsContact O-CG1 3.25Å; K154-I157 WeakPolarHBondContact O-CG1 3.42Å; A155-I157 VanDerWaalsContact C-N 3.33Å; A155-I157 PolarHBondContact O-N 2.98Å
158	D	95.4	Very high	88.6	Confident	27 Å²	27	57.8 Å²	57.8	14%	0.144	29%	0.292	C	S	.	.	S	Bend	trans	-75.6	141.2	175	177.9	-104	0	0	0	111.4	K154 A155 Y160 N161 I162 H164	K154-D158 PolarHBondContact O-N 2.81Å; A155-D158 PolarHBondContact O-N 2.81Å; D158-Y160 PolarHBondContact O-N 3.46Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.31Å; D158-Y160 PolarHBondContact OD1-N 3.02Å; D158-N161 PolarHBondContact O-N 2.75Å; D158-N161 VanDerWaalsContact O-N 3.07Å; D158-N161 PolarHBondContact OD1-N 2.95Å; D158-N161 VanDerWaalsContact OD1-N 3.08Å; D158-I162 WeakPolarHBondContact CB-O 3.37Å; D158-I162 VanDerWaalsContact OD1-CG1 3.25Å; D158-I162 WeakPolarHBondContact OD1-CG1 3.48Å; D158-I162 PolarHBondContact OD1-N 2.79Å; D158-H164 VanDerWaalsContact CG-NE2 3.35Å; D158-H164 IonicContact OD1-NE2 2.99Å; D158-H164 IonicContact OD2-CD2 3.27Å; D158-H164 PolarHBondContact OD2-CD2 2.99Å; D158-H164 VanDerWaalsContact OD2-CD2 3.23Å; D158-H164 IonicContact OD2-CE1 3.53Å; D158-H164 IonicContact OD2-NE2 3.62Å; D158-H164 PolarHBondContact OD2-NE2 3.49Å
159	I	94.9	Very high	86.3	Confident	149 Å²	149	62.2 Å²	62.2	76%	0.764	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.3	-176.7	-63	172.1	0	0	0	111.7
160	Y	95.4	Very high	83.9	Confident	160 Å²	160	67.1 Å²	67.1	63%	0.627	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	6.2	-179.1	-57.4	-71.1	0	0	0	112.9	D158 I162	D158-Y160 PolarHBondContact O-N 3.46Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.31Å; D158-Y160 PolarHBondContact OD1-N 3.02Å; Y160-I162 VanDerWaalsContact C-N 3.3Å; Y160-I162 PolarHBondContact O-N 3.15Å
161	N	96.4	Very high	81.6	Confident	36 Å²	36	71.7 Å²	71.7	19%	0.193	36%	0.357	C	S	.	.	S	Bend	trans	55.1	39.3	-172.3	-59.3	115.2	0	0	0	114.9	Y104 R105 A155 D158	Y104-N161 WeakPolarHBondContact CB-O 3.29Å; R105-N161 HydrophobicContact CB-CB 3.91Å; R105-N161 WeakPolarHBondContact CB-OD1 3.5Å; R105-N161 WeakPolarHBondContact CG-OD1 3.31Å; A155-N161 WeakPolarHBondContact O-CA 3.38Å; A155-N161 PolarHBondContact O-ND2 2.93Å; D158-N161 PolarHBondContact O-N 2.75Å; D158-N161 VanDerWaalsContact O-N 3.07Å; D158-N161 PolarHBondContact OD1-N 2.95Å; D158-N161 VanDerWaalsContact OD1-N 3.08Å
162	I	96.1	Very high	79.4	Confident	20 Å²	20	75.7 Å²	75.7	10%	0.103	38%	0.377	C	S	.	.			trans	-112.7	154.2	178.5	63.3	173.2	0	0	0	112.5	I82 D83 D158 Y160 P485	I82-I162 HydrophobicContact CG2-CB 3.97Å; I82-I162 HydrophobicContact CG2-CD1 4.42Å; I82-I162 HydrophobicContact CG2-CG2 4.3Å; I82-I162 CarbonylContact O-C 3.59Å; I82-I162 VanDerWaalsContact O-CA 3.31Å; I82-I162 WeakPolarHBondContact O-CA 3.23Å; I82-I162 WeakPolarHBondContact O-CB 3.45Å; D83-I162 HydrophobicContact CB-CG2 4.03Å; D158-I162 WeakPolarHBondContact CB-O 3.37Å; D158-I162 VanDerWaalsContact OD1-CG1 3.25Å; D158-I162 WeakPolarHBondContact OD1-CG1 3.48Å; D158-I162 PolarHBondContact OD1-N 2.79Å; Y160-I162 VanDerWaalsContact C-N 3.3Å; Y160-I162 PolarHBondContact O-N 3.15Å; I162-P485 HydrophobicContact CG2-CG 4.41Å
163	L	95.7	Very high	77	Confident	6 Å²	6	80.6 Å²	80.6	3%	0.031	41%	0.407	C	S	.	.			trans	-80.6	114.5	166.8	-71.9	-177.9	0	0	0	109.4	F35 L81 I82 Y104 L151 K154 A155	F35-L163 HydrophobicContact CB-CD1 4.1Å; F35-L163 HydrophobicContact CD1-CB 4.45Å; F35-L163 HydrophobicContact CD1-CD1 4.42Å; F35-L163 HydrophobicContact CD2-CB 4Å; F35-L163 HydrophobicContact CD2-CD1 3.88Å; F35-L163 HydrophobicContact CE1-CB 4.15Å; F35-L163 HydrophobicContact CE2-CB 3.68Å; F35-L163 HydrophobicContact CE2-CD1 4.42Å; F35-L163 HydrophobicContact CG-CB 4.37Å; F35-L163 HydrophobicContact CG-CD1 3.87Å; F35-L163 HydrophobicContact CZ-CB 3.76Å; F35-L163 VanDerWaalsContact CZ-O 3.31Å; F35-L163 WeakPolarHBondContact CZ-O 3.37Å; L81-L163 WeakPolarHBondContact O-CD1 3.06Å; I82-L163 PolarHBondContact O-N 3.14Å; Y104-L163 HydrophobicContact CE2-CD1 4Å; Y104-L163 HydrophobicContact CE2-CG 3.87Å; Y104-L163 VanDerWaalsContact OH-CD1 3.23Å; Y104-L163 WeakPolarHBondContact OH-CD1 3.34Å; L151-L163 HydrophobicContact CB-CD1 4.25Å; L151-L163 HydrophobicContact CB-CD2 4.3Å; L151-L163 HydrophobicContact CD2-CD1 4.02Å; L151-L163 HydrophobicContact CD2-CD2 4.15Å; L151-L163 VanDerWaalsContact O-CD2 3.22Å; L151-L163 WeakPolarHBondContact O-CD2 3.3Å; K154-L163 HydrophobicContact CB-CD2 3.95Å; A155-L163 HydrophobicContact CB-CD2 4.07Å; A155-L163 HydrophobicContact CB-CG 4.3Å
164	H	89.6	Confident	74.6	Confident	93 Å²	93	82 Å²	82	43%	0.431	42%	0.423	S	S	.	.			trans	-82.7	150.3	169.1	-68.3	-75.5	0	0	0	111.2	F35 D158 T166	F35-H164 VanDerWaalsContact CE1-O 3.32Å; F35-H164 WeakPolarHBondContact CE1-O 3.21Å; D158-H164 VanDerWaalsContact CG-NE2 3.35Å; D158-H164 IonicContact OD1-NE2 2.99Å; D158-H164 IonicContact OD2-CD2 3.27Å; D158-H164 PolarHBondContact OD2-CD2 2.99Å; D158-H164 VanDerWaalsContact OD2-CD2 3.23Å; D158-H164 IonicContact OD2-CE1 3.53Å; D158-H164 IonicContact OD2-NE2 3.62Å; D158-H164 PolarHBondContact OD2-NE2 3.49Å; H164-T166 HydrophobicContact CB-CG2 4.17Å; H164-T166 PolarHBondContact O-N 3.46Å
165	E	74.6	Confident	72.2	Confident	110 Å²	110	83.6 Å²	83.6	51%	0.514	44%	0.439	S	S	.	.			trans	-72.6	70.8	172.2	-165	176.4	-179.3	0	0	110.5	K24 L33 I167	K24-E165 VanDerWaalsContact CD-OE1 3.23Å; K24-E165 WeakPolarHBondContact CD-OE1 3.32Å; K24-E165 WeakPolarHBondContact CE-OE1 3.34Å; K24-E165 IonicContact NZ-OE1 2.75Å; K24-E165 PolarHBondContact NZ-OE1 2.76Å; K24-E165 IonicContact NZ-OE2 2.7Å; K24-E165 PolarHBondContact NZ-OE2 2.93Å; L33-E165 HydrophobicContact CD2-CB 4.12Å; L33-E165 HydrophobicContact CD2-CG 3.92Å; E165-I167 PolarHBondContact O-N 3.46Å
166	T	63.3	Low	69.6	Low	79 Å²	79	88.4 Å²	88.4	49%	0.485	47%	0.472	S	S	.	.			trans	-85	98.2	174.3	59.9	0	0	0	0	108.8	K154 H164	K154-T166 PolarHBondContact NZ-OG1 2.8Å; H164-T166 HydrophobicContact CB-CG2 4.17Å; H164-T166 PolarHBondContact O-N 3.46Å
167	I	49.2	Very low	67	Low	143 Å²	143	97.9 Å²	97.9	73%	0.733	50%	0.503	S	S	*	.	S	Bend	trans	46.4	99.2	149.8	-52.2	167.2	0	0	0	114.7	E165	E165-I167 PolarHBondContact O-N 3.46Å
168	S	42.3	Very low	64.5	Low	77 Å²	77	97.7 Å²	97.7	54%	0.538	51%	0.511	S	S	.	.			trans	17.5	103.3	163.5	-77.3	0	0	0	0	116.9	K170 Q171	S168-K170 PolarHBondContact O-N 2.78Å; S168-Q171 PolarHBondContact O-N 2.86Å
169	L	49.1	Very low	61.9	Low	95 Å²	95	101.2 Å²	101.2	50%	0.497	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-50.8	-2.4	164.5	-98.3	130.6	0	0	0	115.3	Q171 I172	L169-Q171 PolarHBondContact O-N 2.99Å; L169-I172 HydrophobicContact CD2-CB 4.43Å; L169-I172 HydrophobicContact CD2-CD1 4.05Å; L169-I172 PolarHBondContact O-N 3.27Å; L169-I172 VanDerWaalsContact O-N 3.07Å
170	K	47.5	Very low	59.5	Low	103 Å²	103	100 Å²	100	45%	0.448	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-52.5	-22	170.9	-70.9	-172.7	178.9	178	0	113	K20 I22 S168 S174	K20-K170 PolarHBondContact O-NZ 2.94Å; I22-K170 HydrophobicContact CD1-CD 4.27Å; I22-K170 HydrophobicContact CD1-CG 3.95Å; S168-K170 PolarHBondContact O-N 2.78Å; K170-S174 WeakPolarHBondContact O-CB 3.35Å; K170-S174 PolarHBondContact O-OG 2.76Å
171	Q	48.3	Very low	57.2	Low	142 Å²	142	99.7 Å²	99.7	66%	0.664	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-81.1	-27.8	176.8	-73.1	178.8	-15.5	0	0	114.6	S168 L169 S174 V175	S168-Q171 PolarHBondContact O-N 2.86Å; L169-Q171 PolarHBondContact O-N 2.99Å; Q171-S174 PolarHBondContact O-OG 3.43Å; Q171-V175 WeakPolarHBondContact O-CG2 3.49Å
172	I	51.3	Low	54.7	Low	97 Å²	97	105.3 Å²	105.3	50%	0.497	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-29	-172.7	-57.5	176.4	0	0	0	111.6	L169	L169-I172 HydrophobicContact CD2-CB 4.43Å; L169-I172 HydrophobicContact CD2-CD1 4.05Å; L169-I172 PolarHBondContact O-N 3.27Å; L169-I172 VanDerWaalsContact O-N 3.07Å
173	T	47.5	Very low	52.5	Low	106 Å²	106	113 Å²	113	65%	0.65	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-9.8	179.6	43.5	0	0	0	0	115.1
174	S	45.6	Very low	50.1	Low	68 Å²	68	123 Å²	123	48%	0.476	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	-23	-178.1	48.9	0	0	0	0	114	K170 Q171 S176	K170-S174 WeakPolarHBondContact O-CB 3.35Å; K170-S174 PolarHBondContact O-OG 2.76Å; Q171-S174 PolarHBondContact O-OG 3.43Å; S174-S176 VanDerWaalsContact C-N 3.27Å; S174-S176 PolarHBondContact O-N 2.8Å
175	V	45.2	Very low	48.3	Very low	108 Å²	108	124.2 Å²	124.2	66%	0.655	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-20.8	-178.7	178.2	0	0	0	0	112.8	Q171	Q171-V175 WeakPolarHBondContact O-CG2 3.49Å
176	S	43.4	Very low	46.8	Very low	101 Å²	101	128 Å²	128	71%	0.706	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	9.4	-176.3	-47	0	0	0	0	115.3	S174	S174-S176 VanDerWaalsContact C-N 3.27Å; S174-S176 PolarHBondContact O-N 2.8Å
177	R	42.3	Very low	46.1	Very low	230 Å²	230	133.5 Å²	133.5	87%	0.868	71%	0.705	S	S	*	*	S	Bend	trans	-126.7	4.6	-173.4	-88.5	-176.1	169.5	170.4	-3.2	116.6
178	S	41.3	Very low	45.6	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	70%	0.701	S	S	*	*			trans	-108	22.9	-176.8	50.5	0	0	0	0	115
179	S	41.6	Very low	45.7	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	72%	0.716	S	S	*	*			trans	-116.8	37.9	-171.6	-43.8	0	0	0	0	114.6
180	T	43.5	Very low	45.4	Very low	122 Å²	122	136.9 Å²	136.9	75%	0.748	73%	0.727	S	S	*	*			trans	-153.9	100	165.5	53.7	0	0	0	0	109.9
181	N	47.9	Very low	45.1	Very low	154 Å²	154	138.1 Å²	138.1	82%	0.824	74%	0.738	S	S	*	*			trans	-176.2	77.6	142.9	-90.1	-9.6	0	0	0	108.8	H183	N181-H183 PolarHBondContact O-N 2.93Å
182	N	43	Very low	44.7	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	74%	0.742	S	S	*	*			trans	-78.9	104.5	157.8	-80.6	-19.5	0	0	0	107.3
183	H	50.8	Low	44.1	Very low	181 Å²	181	142.7 Å²	142.7	84%	0.838	76%	0.759	S	S	*	*			trans	-124.3	111.5	156.4	-107.7	-74.4	0	0	0	108.7	N181 S185	N181-H183 PolarHBondContact O-N 2.93Å; H183-S185 PolarHBondContact O-N 3.37Å
184	Y	44.7	Very low	43.7	Very low	217 Å²	217	145.5 Å²	145.5	85%	0.851	77%	0.77	S	S	*	*			trans	-57.9	123	171.2	-87.4	-103.7	0	0	0	110.8
185	S	51.3	Low	43.1	Very low	118 Å²	118	150.6 Å²	150.6	83%	0.825	79%	0.791	S	S	*	*			trans	-149.7	123.1	143	61.1	0	0	0	0	110.2	H183	H183-S185 PolarHBondContact O-N 3.37Å
186	K	44.8	Very low	42.8	Very low	189 Å²	189	150.1 Å²	150.1	82%	0.822	79%	0.793	S	S	*	*			trans	-75.2	130.6	170.6	-72.8	171	171.7	176.9	0	108.3
187	Q	47.2	Very low	42.3	Very low	194 Å²	194	153.9 Å²	153.9	91%	0.907	80%	0.804	S	S	*	*			trans	-172.8	131.6	132.6	-141.4	94.1	8.1	0	0	107.7
188	G	38.5	Very low	41.9	Very low	64 Å²	64	147.8 Å²	147.8	66%	0.66	80%	0.797	S	S	*	*			trans	-76.3	173.5	-172.3	0	0	0	0	0	115.1
189	I	44.8	Very low	41.8	Very low	165 Å²	165	150.2 Å²	150.2	85%	0.846	80%	0.802	S	S	*	*				166.7	121.7	125.8	-82.1	157.4	0	0	0	107.7
190	H	42	Very low	41.7	Very low	157 Å²	157	154.6 Å²	154.6	73%	0.727	81%	0.811	S	S	*	*			trans	40.1	128.4	149.6	-85.3	-97.9	0	0	0	123.1
191	D	42.7	Very low	41.5	Very low	129 Å²	129	154.3 Å²	154.3	69%	0.69	81%	0.809	S	S	*	*			trans	79.8	110.5	133.5	-62.4	-20.4	0	0	0	121.8
192	S	40.4	Very low	41.1	Very low	105 Å²	105	158.4 Å²	158.4	73%	0.734	81%	0.814	S	S	*	*				100.9	125.6	124	75.9	0	0	0	0	118.4
193	R	37.8	Very low	41	Very low	231 Å²	231	162 Å²	162	87%	0.872	82%	0.816	S	S	*	*			trans	70.2	99.3	152.8	-68.8	173.6	162	173.1	-4.9	117.4
194	L	38.6	Very low	40.5	Very low	165 Å²	165	158.6 Å²	158.6	86%	0.864	81%	0.813	S	S	*	*				168.8	96.9	112.8	-88.5	161.4	0	0	0	109.9
195	N	33.3	Very low	40.6	Very low	174 Å²	174	156.4 Å²	156.4	93%	0.93	81%	0.81	S	S	*	*			trans	-126.1	98.8	164.2	-103.3	-7.2	0	0	0	106.6
196	S	38.3	Very low	40.7	Very low	98 Å²	98	158.4 Å²	158.4	69%	0.685	81%	0.812	S	S	*	*			trans	-172.9	113.5	154.1	63.5	0	0	0	0	109.4
197	L	34.3	Very low	40.7	Very low	180 Å²	180	159.8 Å²	159.8	94%	0.942	81%	0.812	S	S	*	*			trans	167.2	75.5	139.4	-90	149.1	0	0	0	108.5
198	S	33.6	Very low	40.9	Very low	102 Å²	102	159.6 Å²	159.6	71%	0.713	81%	0.811	S	S	*	*	S	Bend	trans	-142.8	133.7	152.4	47.4	0	0	0	0	107.5
199	N	37.7	Very low	40.9	Very low	153 Å²	153	162.6 Å²	162.6	82%	0.818	82%	0.822	S	S	*	*			trans	84.8	91.3	169.9	-49.4	-26.3	0	0	0	117.9
200	E	40	Very low	40.7	Very low	193 Å²	193	157.9 Å²	157.9	90%	0.902	81%	0.814	S	S	*	*			trans	-132.8	106.2	138.4	-93.3	-174.2	149.5	0	0	107
201	V	39.2	Very low	40.7	Very low	116 Å²	116	157.8 Å²	157.8	70%	0.703	82%	0.817	S	S	*	*				83.9	100.1	72.6	173.9	0	0	0	0	111.3	R203	V201-R203 HydrophobicContact CG1-CB 4.13Å; V201-R203 HydrophobicContact CG1-CG 4.45Å
202	Y	39.9	Very low	40.6	Very low	240 Å²	240	158.7 Å²	158.7	94%	0.941	82%	0.82	S	S	*	*			trans	-75.9	112.7	148.6	-108.7	-96.2	0	0	0	107.2
203	R	40.5	Very low	40.6	Very low	230 Å²	230	163.2 Å²	163.2	87%	0.868	83%	0.827	S	S	*	*			trans	-144.6	121.3	152.8	-96.3	-159.4	172.4	-176.4	-1.3	110	V201	V201-R203 HydrophobicContact CG1-CB 4.13Å; V201-R203 HydrophobicContact CG1-CG 4.45Å
204	S	40.1	Very low	40.6	Very low	111 Å²	111	157.9 Å²	157.9	78%	0.776	82%	0.822	S	S	*	*			trans	-60.3	141.9	164.9	-59.6	0	0	0	0	111.2
205	E	48.2	Very low	41.3	Very low	170 Å²	170	157 Å²	157	79%	0.794	82%	0.823	S	S	*	*			trans	-138	104.5	152.5	-76.7	-168.7	166.8	0	0	109.3
206	D	53.5	Low	42.1	Very low	161 Å²	161	157.1 Å²	157.1	86%	0.861	82%	0.818	S	S	*	*			trans	-73.1	125.2	158.9	-85.1	-40.7	0	0	0	108.8
207	R	44.3	Very low	42.1	Very low	217 Å²	217	159.5 Å²	159.5	82%	0.819	82%	0.823	S	S	*	*			trans	-99.5	105.6	170.9	-67.7	-177.9	-177.2	-179.8	1.2	109.3
208	H	50.3	Low	42.4	Very low	191 Å²	191	159.1 Å²	159.1	88%	0.884	82%	0.82	S	S	*	*			trans	-124.8	107.8	156.1	-85.6	-45.9	0	0	0	110.1
209	S	38.9	Very low	42.8	Very low	127 Å²	127	159.4 Å²	159.4	89%	0.888	82%	0.818	S	S	*	*			trans	-80.6	128.5	170.9	31.3	0	0	0	0	110.3
210	G	40.2	Very low	43.4	Very low	66 Å²	66	159.2 Å²	159.2	68%	0.68	82%	0.815	S	S	*	*			trans	-173.8	92	174.4	0	0	0	0	0	115.1
211	I	43.3	Very low	43.7	Very low	155 Å²	155	157.8 Å²	157.8	80%	0.795	81%	0.808	S	S	*	*				78.8	106.9	128.8	-63.1	171.1	0	0	0	120.2
212	I	39.2	Very low	43.9	Very low	147 Å²	147	160.7 Å²	160.7	75%	0.754	81%	0.814	S	S	*	*			trans	75.4	103.9	130.6	-55.5	178.5	0	0	0	121.7
213	K	41.3	Very low	44.3	Very low	201 Å²	201	154.8 Å²	154.8	87%	0.874	81%	0.805	S	S	*	*				59.4	156.1	124.8	-76.9	-166.4	179	-176	0	123.5
214	P	37.1	Very low	44.6	Very low	118 Å²	118	149.1 Å²	149.1	77%	0.766	80%	0.796	S	S	*	*			trans	-109.1	172.8	-130.6	42.9	-37.7	0	0	0	115.7
215	V	54.8	Low	44.8	Very low	147 Å²	147	150.8 Å²	150.8	89%	0.891	79%	0.791	S	S	*	*			trans	-119.9	135	177.2	175.1	0	0	0	0	110.5
216	E	48.7	Very low	44.7	Very low	177 Å²	177	149.9 Å²	149.9	83%	0.827	79%	0.786	S	S	*	*			trans	-79.1	144.7	173.4	-69.8	173.3	160.8	0	0	112.7
217	D	38.2	Very low	44.2	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	78%	0.775	S	S	*	*			trans	15.3	135.6	148.7	-58	-23.1	0	0	0	121.3
218	I	42	Very low	44.2	Very low	172 Å²	172	144.7 Å²	144.7	88%	0.882	78%	0.776	S	S	*	*				-161.9	137.3	121.8	-89.8	145.7	0	0	0	110.3
219	V	42.1	Very low	44.1	Very low	109 Å²	109	145.4 Å²	145.4	66%	0.661	78%	0.776	S	S	*	*			trans	-71	159.6	-173.8	173.5	0	0	0	0	113.1
220	I	48.9	Very low	44.3	Very low	148 Å²	148	148.3 Å²	148.3	76%	0.759	77%	0.773	S	S	*	*				172.7	109.9	125	-81.4	154.7	0	0	0	112.3
221	H	47.2	Very low	44.8	Very low	164 Å²	164	153.1 Å²	153.1	76%	0.759	78%	0.783	S	S	*	*			trans	60.2	115.3	136.6	-69.5	-85.3	0	0	0	124.3
222	E	42.6	Very low	44.6	Very low	176 Å²	176	153.4 Å²	153.4	82%	0.822	79%	0.787	S	S	*	*			trans	-87	165.9	138.3	-90.8	-171.5	158.4	0	0	111
223	P	49.2	Very low	44.7	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	79%	0.792	S	S	*	*				-147.2	136.2	114.7	36.6	-19.1	0	0	0	117
224	V	45.7	Very low	44.4	Very low	110 Å²	110	148.1 Å²	148.1	67%	0.667	79%	0.787	S	S	*	*				81.2	109.7	114.4	170.9	0	0	0	0	120.6
225	H	46.1	Very low	44.6	Very low	146 Å²	146	147.7 Å²	147.7	68%	0.676	79%	0.786	S	S	*	*				67.6	150.6	129.7	-74.5	-101.6	0	0	0	120.2
226	H	45.4	Very low	43.6	Very low	152 Å²	152	148 Å²	148	70%	0.704	78%	0.783	S	S	*	*			cis	-164.5	142.5	18.9	-115.5	-56	0	0	0	111
227	S	43.4	Very low	42.9	Very low	89 Å²	89	146.9 Å²	146.9	62%	0.622	78%	0.782	S	S	*	*			trans	57.3	121.5	135.9	66.9	0	0	0	0	124.9
228	E	44.7	Very low	42.7	Very low	179 Å²	179	145.6 Å²	145.6	84%	0.836	78%	0.779	S	S	*	*				67.6	117.1	125	-63.3	-175	171.6	0	0	122.2
229	K	47.8	Very low	42.4	Very low	206 Å²	206	142 Å²	142	90%	0.896	77%	0.765	S	S	*	*				-173.9	145.8	103.7	-100.3	173	-177.5	176.8	0	113.2
230	K	42.5	Very low	42	Very low	189 Å²	189	143.6 Å²	143.6	82%	0.822	77%	0.77	S	S	*	*			trans	-61.4	151.7	175.2	-70.4	168.3	171.6	172.2	0	112
231	D	50.8	Low	41.5	Very low	166 Å²	166	146.9 Å²	146.9	89%	0.888	77%	0.774	S	S	*	*				-166.6	136.3	119.6	-87.9	-25.5	0	0	0	112.9
232	N	40	Very low	40.9	Very low	162 Å²	162	144.4 Å²	144.4	87%	0.866	78%	0.775	S	S	*	*			trans	-76.4	143.8	177	-77.7	-34.7	0	0	0	110.8
233	C	40.5	Very low	40.9	Very low	128 Å²	128	144.2 Å²	144.2	87%	0.865	77%	0.772	S	S	*	*			trans	-154	104.5	144.1	-138.1	0	0	0	0	112
234	S	33.9	Very low	40.3	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	78%	0.777	S	S	*	*			trans	-76.3	132.7	158.7	54.5	0	0	0	0	109.4
235	S	42.5	Very low	40.1	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	78%	0.781	S	S	*	*			trans	-139.2	115.1	155.5	55.2	0	0	0	0	109.9
236	N	34.4	Very low	39.7	Very low	155 Å²	155	148.1 Å²	148.1	83%	0.829	79%	0.789	S	S	*	*			trans	-77.6	125.8	167.5	-67.9	-43.7	0	0	0	107.7
237	L	33.8	Very low	39.6	Very low	153 Å²	153	147 Å²	147	80%	0.801	79%	0.793	S	S	*	*			trans	-110.4	100.6	163.8	-126.3	96.2	0	0	0	108.8	V239	L237-V239 HydrophobicContact CD2-CG2 4Å
238	T	32.2	Very low	39.9	Very low	119 Å²	119	151 Å²	151	73%	0.73	80%	0.801	S	S	*	*			trans	-92.6	113.5	167.2	-49.4	0	0	0	0	107.3
239	V	37.1	Very low	39.7	Very low	96 Å²	96	148.8 Å²	148.8	58%	0.582	80%	0.795	S	S	*	*			trans	-110.3	103.3	172.8	178.5	0	0	0	0	108.4	L237 Y241	L237-V239 HydrophobicContact CD2-CG2 4Å; V239-Y241 HydrophobicContact CG1-CD2 3.44Å; V239-Y241 VanDerWaalsContact CG1-CD2 3.44Å; V239-Y241 HydrophobicContact CG1-CE2 3.46Å; V239-Y241 VanDerWaalsContact CG1-CE2 3.46Å
240	N	33.7	Very low	39.9	Very low	143 Å²	143	146.3 Å²	146.3	77%	0.765	79%	0.791	S	S	*	*			trans	-93	123.5	166.6	-82.1	-28.2	0	0	0	108.7
241	Y	38	Very low	39.9	Very low	217 Å²	217	144.5 Å²	144.5	85%	0.851	79%	0.791	S	S	*	*			trans	-126.9	103.9	161.7	-82.2	-74.5	0	0	0	109.6	V239	V239-Y241 HydrophobicContact CG1-CD2 3.44Å; V239-Y241 VanDerWaalsContact CG1-CD2 3.44Å; V239-Y241 HydrophobicContact CG1-CE2 3.46Å; V239-Y241 VanDerWaalsContact CG1-CE2 3.46Å
242	S	35.2	Very low	39.9	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	79%	0.79	S	S	*	*			trans	-100.5	118.8	161.4	46.4	0	0	0	0	108.5
243	K	41.2	Very low	39.9	Very low	172 Å²	172	146.3 Å²	146.3	75%	0.748	79%	0.786	S	S	*	*			trans	-132.5	102.1	160	-98.2	-177.3	178.6	176.8	0	108.5	Y245	K243-Y245 HydrophobicContact CB-CE2 4.31Å
244	T	36.4	Very low	40.2	Very low	141 Å²	141	151 Å²	151	87%	0.865	79%	0.787	S	S	*	*			trans	-76.2	132	164.6	35.9	0	0	0	0	108.9
245	Y	42.1	Very low	40.4	Very low	195 Å²	195	152.5 Å²	152.5	77%	0.765	79%	0.786	S	S	*	*			trans	-110.8	121.6	165.2	-72.7	-85.2	0	0	0	108	K243	K243-Y245 HydrophobicContact CB-CE2 4.31Å
246	S	38.9	Very low	40.5	Very low	120 Å²	120	155.3 Å²	155.3	84%	0.839	79%	0.791	S	S	*	*			trans	-80.9	130.2	167.5	44.9	0	0	0	0	109.2
247	V	42.7	Very low	40.9	Very low	128 Å²	128	157.2 Å²	157.2	78%	0.776	79%	0.792	S	S	*	*			trans	-104.5	114.1	169.1	175.6	0	0	0	0	106.9
248	H	49.3	Very low	41.6	Very low	174 Å²	174	153.6 Å²	153.6	81%	0.806	79%	0.791	S	S	*	*			trans	-85.1	117.3	172.9	-134.3	-64.1	0	0	0	108.2
249	N	40.5	Very low	42.2	Very low	132 Å²	132	157.3 Å²	157.3	71%	0.706	80%	0.8	S	S	*	*			trans	-78.1	141	161.2	-78.2	-21.7	0	0	0	108.3
250	N	52.9	Low	42.4	Very low	153 Å²	153	160.2 Å²	160.2	82%	0.818	81%	0.811	S	S	*	*			trans	-158.7	126.6	141.3	-91.4	-17.6	0	0	0	109.1
251	D	42.7	Very low	42.8	Very low	152 Å²	152	157.7 Å²	157.7	81%	0.813	80%	0.803	S	S	*	*			trans	-65.8	148.4	173.6	-60.7	-63.4	0	0	0	111.2
252	E	49	Very low	42.9	Very low	186 Å²	186	156.2 Å²	156.2	87%	0.869	80%	0.801	S	S	*	*				-173.1	137.9	123.5	-101.6	177.2	-167.8	0	0	113
253	K	40.1	Very low	43.1	Very low	179 Å²	179	156.9 Å²	156.9	78%	0.778	81%	0.806	S	S	*	*			trans	-74.9	145.9	-179.1	-71.8	164.8	170.3	169.5	0	111.4
254	Y	48.5	Very low	43.1	Very low	228 Å²	228	155 Å²	155	89%	0.894	81%	0.809	S	S	*	*			trans	-147.7	130.1	130.5	-83.3	-72.1	0	0	0	111.9
255	L	37.6	Very low	43.7	Very low	140 Å²	140	154 Å²	154	73%	0.733	81%	0.808	S	S	*	*			trans	-62.5	154.9	166.8	-95.1	79.1	0	0	0	110.9
256	I	45.3	Very low	43.7	Very low	167 Å²	167	152 Å²	152	86%	0.856	81%	0.81	S	S	*	*				-172.7	139.4	110.8	-86.8	152.1	0	0	0	110
257	K	41.7	Very low	44	Very low	195 Å²	195	154.1 Å²	154.1	85%	0.848	81%	0.81	S	S	*	*			trans	-76.3	154.6	-176.6	-66	169.7	172.8	177.1	0	112.4
258	G	48.3	Very low	43.7	Very low	76 Å²	76	153.2 Å²	153.2	78%	0.784	81%	0.807	S	S	*	*			trans	-162.3	140.9	161.2	0	0	0	0	0	110.1
259	E	45.3	Very low	43.6	Very low	197 Å²	197	155 Å²	155	92%	0.921	81%	0.813	S	S	*	*			trans	-93.6	161.6	-147.2	-62.8	171.2	141.3	0	0	116.8
260	L	40.2	Very low	43.6	Very low	157 Å²	157	157.8 Å²	157.8	82%	0.822	82%	0.821	S	S	*	*			trans	-47.9	-175.5	160.8	-117.1	73.6	0	0	0	113.8
261	P	42.2	Very low	43.2	Very low	91 Å²	91	156.9 Å²	156.9	59%	0.591	82%	0.821	S	S	*	*			cis	-142.8	173.5	-16.8	26.3	-2.3	0	0	0	117
262	K	40.4	Very low	43.3	Very low	185 Å²	185	158 Å²	158	80%	0.804	82%	0.819	S	S	*	*			trans	55.7	119.9	140.5	-68.4	163.4	-171.6	-179.3	0	119.7
263	S	40.9	Very low	42.7	Very low	126 Å²	126	156.2 Å²	156.2	88%	0.881	82%	0.815	S	S	*	*				-163.3	147.3	121.2	-88	0	0	0	0	113.5
264	T	40.1	Very low	42.7	Very low	133 Å²	133	152.7 Å²	152.7	82%	0.816	81%	0.813	S	S	*	*			trans	-80.1	149.2	-171.5	48.5	0	0	0	0	113.6
265	S	48.2	Very low	42.2	Very low	120 Å²	120	148.6 Å²	148.6	84%	0.839	81%	0.812	S	S	*	*				-175	140.8	128.5	48.3	0	0	0	0	112.1
266	N	42.4	Very low	42.2	Very low	153 Å²	153	151 Å²	151	82%	0.818	82%	0.817	S	S	*	*			trans	-74.7	155.3	179.1	-60	-50.6	0	0	0	111.4
267	I	46	Very low	42	Very low	165 Å²	165	147.3 Å²	147.3	85%	0.846	81%	0.806	S	S	*	*				170.8	144.7	123.1	-85.7	158.5	0	0	0	109.6
268	P	36.5	Very low	41.9	Very low	109 Å²	109	145 Å²	145	71%	0.708	80%	0.802	S	S	*	*			trans	-104.4	149.6	-154.6	36.3	-24.9	0	0	0	112.9
269	K	46.6	Very low	41.5	Very low	211 Å²	211	148.4 Å²	148.4	92%	0.917	80%	0.803	S	S	*	*			trans	-144.2	128	157.3	-77.1	-167.2	178.4	172.7	0	112.7
270	Q	41.3	Very low	41.3	Very low	190 Å²	190	147 Å²	147	89%	0.888	80%	0.801	S	S	*	*			trans	-60.2	134.5	170.2	-58.9	166.9	-10.5	0	0	111.6
271	V	44.3	Very low	41.3	Very low	135 Å²	135	148.3 Å²	148.3	82%	0.818	80%	0.803	S	S	*	*			trans	-159.2	99.9	148.5	-179.6	0	0	0	0	105.5
272	K	44	Very low	41.1	Very low	175 Å²	175	149 Å²	149	76%	0.761	81%	0.81	S	S	*	*				62.4	112.7	103.6	-74.1	-175.1	174.9	-177.9	0	115.5
273	D	36.1	Very low	40.9	Very low	148 Å²	148	150 Å²	150	79%	0.791	81%	0.81	S	S	*	*			trans	60.4	89.4	133.4	-48.6	-27.7	0	0	0	117.3
274	S	40.3	Very low	40.9	Very low	105 Å²	105	155.1 Å²	155.1	73%	0.734	81%	0.81	S	S	*	*			trans	-132	110.2	148.3	60.5	0	0	0	0	110.6	F276	S274-F276 PolarHBondContact O-N 3.45Å
275	T	37.7	Very low	40.9	Very low	142 Å²	142	150.5 Å²	150.5	87%	0.871	78%	0.783	S	S	*	*			trans	-56.3	107.1	173	-26.5	0	0	0	0	109.4	S277	T275-S277 PolarHBondContact O-N 3.43Å
276	F	39	Very low	40.6	Very low	191 Å²	191	152.1 Å²	152.1	84%	0.838	78%	0.775	S	S	*	*			trans	-82.8	104.3	164.4	-106.7	-89.7	0	0	0	107.8	S274 D278	S274-F276 PolarHBondContact O-N 3.45Å; F276-D278 PolarHBondContact O-N 3.2Å
277	S	41.5	Very low	40.8	Very low	89 Å²	89	146.3 Å²	146.3	62%	0.622	74%	0.743	S	S	*	*			trans	-64.3	120.6	172.7	-171.7	0	0	0	0	109.9	T275 D279	T275-S277 PolarHBondContact O-N 3.43Å; S277-D279 VanDerWaalsContact C-N 3.28Å; S277-D279 PolarHBondContact O-N 2.95Å
278	D	39.3	Very low	40.9	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	72%	0.717	S	S	*	*			trans	-70.7	75.1	171.7	-83.6	-38.6	0	0	0	110.9	F276 L280	F276-D278 PolarHBondContact O-N 3.2Å; D278-L280 VanDerWaalsContact C-N 3.27Å; D278-L280 PolarHBondContact O-N 3.31Å
279	D	39.2	Very low	41.7	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	70%	0.697	S	S	*	*			trans	-88.3	66.4	166.8	-83.1	-23.4	0	0	0	110.6	S277	S277-D279 VanDerWaalsContact C-N 3.28Å; S277-D279 PolarHBondContact O-N 2.95Å
280	L	41.1	Very low	42.1	Very low	169 Å²	169	129.1 Å²	129.1	89%	0.885	65%	0.654	S	S	*	*			trans	-117.9	44.6	165.6	-103.5	162.6	0	0	0	110	D278	D278-L280 VanDerWaalsContact C-N 3.27Å; D278-L280 PolarHBondContact O-N 3.31Å
281	Q	39.8	Very low	42.3	Very low	184 Å²	184	124.4 Å²	124.4	86%	0.86	63%	0.632	S	S	*	*			trans	-124.4	74	173.7	-68.9	-172	11.6	0	0	111
282	S	37.6	Very low	42.5	Very low	106 Å²	106	120.8 Å²	120.8	74%	0.741	61%	0.608	S	S	*	*			trans	-175.4	56.3	154.1	-174.7	0	0	0	0	112.8
283	Y	37.8	Very low	42.9	Very low	205 Å²	205	113.9 Å²	113.9	80%	0.804	58%	0.581	S	S	*	*			trans	-143.5	78.5	157.9	-94.4	-80.6	0	0	0	109.1	S285	Y283-S285 PolarHBondContact O-N 3.35Å
284	R	39.4	Very low	43.5	Very low	234 Å²	234	108.2 Å²	108.2	88%	0.883	55%	0.552	S	S	*	*			trans	-76.3	104.8	171.8	-164.8	175.9	-178.4	177.8	1.4	107.8	K286	R284-K286 PolarHBondContact O-N 3.09Å
285	S	39.9	Very low	43.7	Very low	35 Å²	35	104.5 Å²	104.5	25%	0.245	53%	0.526	C	S	.	.			trans	-58.8	126	172.5	-66.5	0	0	0	0	108.7	N115 Y283 F287	N115-S285 PolarHBondContact ND2-OG 3Å; Y283-S285 PolarHBondContact O-N 3.35Å; S285-F287 WeakPolarHBondContact O-CD2 3.27Å; S285-F287 WeakPolarHBondContact O-CE2 3.42Å
286	K	42.7	Very low	43.9	Very low	154 Å²	154	106.1 Å²	106.1	67%	0.67	53%	0.53	S	S	*	.			trans	-73.4	129.3	173.2	-70.1	-178.2	179.7	-179.4	0	108.7	P114 R284 Y288	P114-K286 WeakPolarHBondContact CG-O 3.2Å; R284-K286 PolarHBondContact O-N 3.09Å; K286-Y288 HydrophobicContact CB-CE2 4.5Å
287	F	47.2	Very low	44	Very low	32 Å²	32	101.2 Å²	101.2	14%	0.14	52%	0.515	C	S	.	.			trans	-111.3	143.9	176.2	-74.8	-87.4	0	0	0	111	E56 I60 F111 I112 F113 S285	E56-F287 VanDerWaalsContact CD-CD2 3.5Å; E56-F287 HydrophobicContact CG-CB 4.35Å; E56-F287 HydrophobicContact CG-CD1 4.35Å; E56-F287 HydrophobicContact CG-CD2 3.92Å; E56-F287 HydrophobicContact CG-CE2 4.32Å; E56-F287 HydrophobicContact CG-CG 3.92Å; E56-F287 WeakPolarHBondContact OE1-CD2 3.45Å; E56-F287 WeakPolarHBondContact OE1-CG 3.38Å; I60-F287 HydrophobicContact CD1-CD2 4.22Å; I60-F287 HydrophobicContact CD1-CE2 3.33Å; I60-F287 HydrophobicContact CD1-CZ 3.71Å; I60-F287 HydrophobicContact CG1-CE1 4.36Å; I60-F287 HydrophobicContact CG1-CE2 3.65Å; I60-F287 HydrophobicContact CG1-CZ 3.43Å; I60-F287 VanDerWaalsContact CG1-CZ 3.43Å; F111-F287 HydrophobicContact CD1-CD1 4.44Å; I112-F287 WeakPolarHBondContact O-CD1 3.45Å; I112-F287 VanDerWaalsContact O-CE1 3.32Å; I112-F287 WeakPolarHBondContact O-CE1 3.48Å; F113-F287 AromaticContact CD1-CE1 3.47Å; F113-F287 HydrophobicContact CD1-CE1 3.47Å; F113-F287 VanDerWaalsContact CD1-CE1 3.47Å; F113-F287 AromaticContact CD1-CZ 3.82Å; F113-F287 HydrophobicContact CD1-CZ 3.82Å; F113-F287 AromaticContact CE1-CE1 3.73Å; F113-F287 HydrophobicContact CE1-CE1 3.73Å; F113-F287 HydrophobicContact CE1-CZ 4.17Å; S285-F287 WeakPolarHBondContact O-CD2 3.27Å; S285-F287 WeakPolarHBondContact O-CE2 3.42Å
288	Y	48.7	Very low	43.7	Very low	77 Å²	77	102.4 Å²	102.4	30%	0.302	52%	0.524	S	S	.	.			trans	-117	122.4	180	-61.4	-75.4	0	0	0	107.1	K286 N292 V293 F300	K286-Y288 HydrophobicContact CB-CE2 4.5Å; Y288-N292 HydrophobicContact CD1-CB 3.72Å; Y288-N292 HydrophobicContact CG-CB 4.28Å; Y288-V293 HydrophobicContact CG-CG2 4.3Å; Y288-F300 HydrophobicContact CD2-CZ 4.42Å; Y288-F300 HydrophobicContact CE2-CZ 4.45Å
289	S	53	Low	43.7	Very low	41 Å²	41	103.2 Å²	103.2	29%	0.287	52%	0.523	S	S	.	.			trans	-61.4	161	164	67.4	0	0	0	0	108.9	H291 N292 V293	S289-H291 PolarHBondContact O-N 2.84Å; S289-N292 PolarHBondContact O-N 2.99Å; S289-N292 PolarHBondContact OG-OD1 2.79Å; S289-V293 PolarHBondContact O-N 3.23Å
290	L	54.7	Low	43.5	Very low	6 Å²	6	101.5 Å²	101.5	3%	0.031	51%	0.509	C	S	.	.	H	α-helix	trans	-47.7	-37.1	176.9	-86.7	161.2	0	0	0	112.3	F110 Y153 C294 F322	F110-L290 HydrophobicContact CB-CD1 3.76Å; F110-L290 HydrophobicContact CB-CD2 3.75Å; F110-L290 HydrophobicContact CB-CG 3.7Å; F110-L290 HydrophobicContact CG-CD2 4.11Å; Y153-L290 HydrophobicContact CD2-CB 3.76Å; Y153-L290 HydrophobicContact CG-CB 4.44Å; L290-C294 PolarHBondContact O-N 2.78Å; L290-F322 HydrophobicContact CB-CZ 4.18Å; L290-F322 HydrophobicContact CD1-CE1 4.34Å; L290-F322 HydrophobicContact CD1-CZ 3.68Å; L290-F322 HydrophobicContact CG-CZ 4.47Å
291	H	44.8	Very low	43.3	Very low	90 Å²	90	100.1 Å²	100.1	42%	0.417	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-44.3	175.1	-175.8	-85.7	0	0	0	113.1	Y153 S289 V293 C294 S295	Y153-H291 HydrophobicContact CE2-CB 4.44Å; S289-H291 PolarHBondContact O-N 2.84Å; H291-V293 PolarHBondContact O-N 3.18Å; H291-C294 PolarHBondContact O-N 3.2Å; H291-S295 PolarHBondContact CE1-OG 2.86Å; H291-S295 VanDerWaalsContact CE1-OG 3.32Å; H291-S295 WeakPolarHBondContact O-CB 3.5Å; H291-S295 PolarHBondContact O-N 2.81Å; H291-S295 VanDerWaalsContact O-N 3.09Å; H291-S295 PolarHBondContact O-OG 3.41Å
292	N	49.8	Very low	43.3	Very low	59 Å²	59	97.5 Å²	97.5	32%	0.316	49%	0.491	S	S	.	.	H	α-helix	trans	-74.4	-25.1	-174.7	-61.9	-4.6	0	0	0	113.1	Y288 S289	Y288-N292 HydrophobicContact CD1-CB 3.72Å; Y288-N292 HydrophobicContact CG-CB 4.28Å; S289-N292 PolarHBondContact O-N 2.99Å; S289-N292 PolarHBondContact OG-OD1 2.79Å
293	V	52.1	Low	43	Very low	31 Å²	31	97.2 Å²	97.2	19%	0.188	49%	0.487	C	S	.	.	H	α-helix	trans	-76.5	-32.7	176.5	-175.9	0	0	0	0	111.7	I112 Y288 S289 H291 F300	I112-V293 HydrophobicContact CD1-CG1 4.15Å; I112-V293 HydrophobicContact CD1-CG2 4.15Å; Y288-V293 HydrophobicContact CG-CG2 4.3Å; S289-V293 PolarHBondContact O-N 3.23Å; H291-V293 PolarHBondContact O-N 3.18Å; V293-F300 HydrophobicContact CG1-CZ 4.31Å
294	C	48.3	Very low	42.8	Very low	29 Å²	29	95.7 Å²	95.7	20%	0.196	49%	0.487	C	S	.	.	H	α-helix	trans	-104.7	-6.1	-170.1	-63.6	0	0	0	0	114.4	Y153 L290 H291 N296	Y153-C294 HydrophobicContact CD1-CB 3.3Å; Y153-C294 HydrophobicContact CE1-CB 3.57Å; Y153-C294 HydrophobicContact CG-CB 3.96Å; L290-C294 PolarHBondContact O-N 2.78Å; H291-C294 PolarHBondContact O-N 3.2Å; C294-N296 PolarHBondContact O-N 2.94Å
295	S	44	Very low	42.6	Very low	27 Å²	27	90.8 Å²	90.8	19%	0.189	48%	0.477	C	S	.	.	S	Bend	trans	-75.7	119.8	171.7	-61.1	0	0	0	0	108.7	H291 T297	H291-S295 PolarHBondContact CE1-OG 2.86Å; H291-S295 VanDerWaalsContact CE1-OG 3.32Å; H291-S295 WeakPolarHBondContact O-CB 3.5Å; H291-S295 PolarHBondContact O-N 2.81Å; H291-S295 VanDerWaalsContact O-N 3.09Å; H291-S295 PolarHBondContact O-OG 3.41Å; S295-T297 PolarHBondContact O-N 3.04Å; S295-T297 PolarHBondContact O-OG1 2.96Å
296	N	42.5	Very low	42.1	Very low	175 Å²	175	95.5 Å²	95.5	94%	0.936	50%	0.5	S	S	*	.			trans	-63.5	18	173.5	-74.6	-17.4	0	0	0	113.6	C294 S298	C294-N296 PolarHBondContact O-N 2.94Å; N296-S298 PolarHBondContact O-N 2.83Å
297	T	40.9	Very low	41.7	Very low	88 Å²	88	94.9 Å²	94.9	54%	0.54	50%	0.502	S	S	.	.			trans	-62.9	123.4	168.3	48.2	0	0	0	0	107.7	S295 E299	S295-T297 PolarHBondContact O-N 3.04Å; S295-T297 PolarHBondContact O-OG1 2.96Å; T297-E299 PolarHBondContact O-N 2.96Å
298	S	35.4	Very low	41.2	Very low	115 Å²	115	99.3 Å²	99.3	80%	0.804	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	22.6	-169.5	55	0	0	0	0	116.4	N296 F300	N296-S298 PolarHBondContact O-N 2.83Å; S298-F300 VanDerWaalsContact C-N 3.31Å
299	E	40	Very low	40.7	Very low	163 Å²	163	104.8 Å²	104.8	76%	0.762	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-0.1	179.2	-65.2	-172.7	171.7	0	0	113.2	T297 I301	T297-E299 PolarHBondContact O-N 2.96Å; E299-I301 VanDerWaalsContact C-N 3.27Å; E299-I301 PolarHBondContact O-N 2.81Å
300	F	33.6	Very low	40.3	Very low	112 Å²	112	110.2 Å²	110.2	49%	0.491	58%	0.583	S	S	.	*			trans	-83.5	67.7	174	-114.6	-90.2	0	0	0	111.6	Y288 V293 S298	Y288-F300 HydrophobicContact CD2-CZ 4.42Å; Y288-F300 HydrophobicContact CE2-CZ 4.45Å; V293-F300 HydrophobicContact CG1-CZ 4.31Å; S298-F300 VanDerWaalsContact C-N 3.31Å
301	I	36.9	Very low	39.3	Very low	140 Å²	140	117.5 Å²	117.5	72%	0.718	62%	0.622	S	S	*	*			trans	-93.6	110.6	158.9	-59.4	176.1	0	0	0	106	E299 P303	E299-I301 VanDerWaalsContact C-N 3.27Å; E299-I301 PolarHBondContact O-N 2.81Å; I301-P303 VanDerWaalsContact O-CD 3.3Å; I301-P303 WeakPolarHBondContact O-CD 3.37Å; I301-P303 VanDerWaalsContact O-N 3.14Å
302	I	39.7	Very low	38.9	Very low	128 Å²	128	120.2 Å²	120.2	66%	0.656	65%	0.645	S	S	*	*			trans	-55.9	119.4	165	-61.3	173.5	0	0	0	105.5	E304	I302-E304 PolarHBondContact O-N 2.89Å
303	P	31.7	Very low	37.9	Very low	100 Å²	100	126.4 Å²	126.4	65%	0.649	67%	0.671	S	S	*	*			trans	-61.8	114.8	174	-13	26.1	0	0	0	106.8	I301 I305	I301-P303 VanDerWaalsContact O-CD 3.3Å; I301-P303 WeakPolarHBondContact O-CD 3.37Å; I301-P303 VanDerWaalsContact O-N 3.14Å; P303-I305 VanDerWaalsContact C-N 3.32Å; P303-I305 PolarHBondContact O-N 2.86Å
304	E	34.4	Very low	36.8	Very low	173 Å²	173	129.5 Å²	129.5	81%	0.808	70%	0.695	S	S	*	*			trans	-59.6	107.4	154.5	-82.6	-171	157.6	0	0	105.6	I302 N306	I302-E304 PolarHBondContact O-N 2.89Å; E304-N306 PolarHBondContact O-N 2.85Å
305	I	33.9	Very low	36	Very low	132 Å²	132	135.2 Å²	135.2	68%	0.677	72%	0.723	S	S	*	*			trans	-71.6	86.4	179.8	-59.2	172.8	0	0	0	107	P303 I307	P303-I305 VanDerWaalsContact C-N 3.32Å; P303-I305 PolarHBondContact O-N 2.86Å; I305-I307 HydrophobicContact CG2-CG1 3.84Å
306	N	30.2	Very low	35.1	Very low	134 Å²	134	143.3 Å²	143.3	72%	0.717	75%	0.751	S	S	*	*			trans	-88.3	108.4	157	-77.6	-33.5	0	0	0	107.1	E304 T308	E304-N306 PolarHBondContact O-N 2.85Å; N306-T308 PolarHBondContact O-N 3.03Å
307	I	33.5	Very low	34.3	Very low	141 Å²	141	139.9 Å²	139.9	72%	0.723	74%	0.74	S	S	*	*			trans	-72.8	96.2	177.8	-56.4	173.9	0	0	0	107.8	I305	I305-I307 HydrophobicContact CG2-CG1 3.84Å
308	T	37.6	Very low	33.6	Very low	125 Å²	125	141 Å²	141	77%	0.767	75%	0.747	S	S	*	*			trans	-122.9	121.8	160.6	46.6	0	0	0	0	108.8	N306 N310	N306-T308 PolarHBondContact O-N 3.03Å; T308-N310 PolarHBondContact O-N 3.24Å
309	K	38	Very low	33.2	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	75%	0.748	S	S	*	*			trans	-60.3	123.7	171.4	-70.9	175.2	176.2	179.6	0	107.7
310	N	44.8	Very low	32.7	Very low	156 Å²	156	141 Å²	141	83%	0.834	74%	0.744	S	S	*	*			trans	174	143	132.2	-79.5	-15.5	0	0	0	112.1	T308	T308-N310 PolarHBondContact O-N 3.24Å
311	N	32.8	Very low	32.7	Very low	158 Å²	158	142.7 Å²	142.7	85%	0.845	76%	0.757	S	S	*	*			trans	-53.3	134.8	-171.5	-59.4	-28.8	0	0	0	116
312	V	36.4	Very low	32.5	Very low	147 Å²	147	139.8 Å²	139.8	89%	0.891	74%	0.74	S	S	*	*			trans	-151.2	135.6	145.9	-175	0	0	0	0	111.2
313	H	29.8	Very low	32.2	Very low	190 Å²	190	139.6 Å²	139.6	88%	0.88	75%	0.747	S	S	*	*			trans	-41.7	147.3	176.2	-108.6	-69.7	0	0	0	117.2
314	S	28.5	Very low	32.6	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	75%	0.749	S	S	*	*			trans	-117.3	132.1	170.4	66.7	0	0	0	0	112.8
315	D	30.9	Very low	32.7	Very low	148 Å²	148	139 Å²	139	79%	0.791	75%	0.749	S	S	*	*			trans	-109.1	170.3	164.5	-93	-20.4	0	0	0	111.7
316	Y	26.8	Very low	32.9	Very low	198 Å²	198	142.6 Å²	142.6	78%	0.776	76%	0.756	S	S	*	*				-98.1	155.7	-127.4	-70.8	-100.8	0	0	0	119.2
317	S	25	Very low	33.2	Very low	102 Å²	102	142.8 Å²	142.8	71%	0.713	76%	0.756	S	S	*	*			trans	24.7	125.6	142.6	71.8	0	0	0	0	122.4
318	V	25.9	Very low	33.6	Very low	112 Å²	112	142.7 Å²	142.7	68%	0.679	76%	0.758	S	S	*	*			trans	-144.4	111.3	139.3	-178.1	0	0	0	0	110	K320	V318-K320 HydrophobicContact CG1-CD 4.5Å; V318-K320 HydrophobicContact CG1-CG 3.99Å
319	C	27.2	Very low	33.8	Very low	122 Å²	122	143.3 Å²	143.3	82%	0.824	76%	0.756	S	S	*	*			trans	-95.5	111.3	164.2	-71.8	0	0	0	0	108.5
320	K	29.8	Very low	34.2	Very low	157 Å²	157	141.2 Å²	141.2	68%	0.683	75%	0.754	S	S	*	*			trans	-100.5	109	165.4	-77.4	-180	-178.9	179.1	0	108.9	V318	V318-K320 HydrophobicContact CG1-CD 4.5Å; V318-K320 HydrophobicContact CG1-CG 3.99Å
321	L	33.8	Very low	34	Very low	147 Å²	147	138.2 Å²	138.2	77%	0.77	75%	0.745	S	S	*	*			trans	-67.6	152	166	-78	156.6	0	0	0	109.5
322	F	31.9	Very low	34.8	Very low	79 Å²	79	138.1 Å²	138.1	35%	0.346	75%	0.745	S	S	.	*			trans	-52.8	138.2	173.6	-67.7	-86.4	0	0	0	111	K108 L290 I324	K108-F322 WeakPolarHBondContact O-CE2 3.43Å; L290-F322 HydrophobicContact CB-CZ 4.18Å; L290-F322 HydrophobicContact CD1-CE1 4.34Å; L290-F322 HydrophobicContact CD1-CZ 3.68Å; L290-F322 HydrophobicContact CG-CZ 4.47Å; F322-I324 PolarHBondContact O-N 3.02Å; F322-I324 VanDerWaalsContact O-N 3.11Å
323	P	33.4	Very low	35.6	Very low	124 Å²	124	138.3 Å²	138.3	81%	0.805	74%	0.741	S	S	*	*			trans	-65.3	113.9	168.6	25.9	-29.6	0	0	0	108.7
324	I	39.1	Very low	36.7	Very low	134 Å²	134	136.1 Å²	136.1	69%	0.687	74%	0.736	S	S	*	*			trans	-81.5	120	164.9	-58.6	173.8	0	0	0	106	F322 Y326	F322-I324 PolarHBondContact O-N 3.02Å; F322-I324 VanDerWaalsContact O-N 3.11Å; I324-Y326 HydrophobicContact CG2-CD2 4.43Å; I324-Y326 PolarHBondContact O-N 2.74Å; I324-Y326 VanDerWaalsContact O-N 3.07Å
325	P	37.5	Very low	37.4	Very low	126 Å²	126	138.8 Å²	138.8	82%	0.818	74%	0.742	S	S	*	*			trans	-68.6	107.2	172.2	25.9	-30	0	0	0	109.3
326	Y	37.4	Very low	38.4	Very low	208 Å²	208	140.7 Å²	140.7	82%	0.816	74%	0.744	S	S	*	*			trans	-84.3	113.4	164.7	-98.5	-86.6	0	0	0	108.7	I324	I324-Y326 HydrophobicContact CG2-CD2 4.43Å; I324-Y326 PolarHBondContact O-N 2.74Å; I324-Y326 VanDerWaalsContact O-N 3.07Å
327	N	37.1	Very low	39.4	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	74%	0.738	S	S	*	*			trans	-82.7	105.8	164.6	-175.1	8.7	0	0	0	107.8
328	N	42.3	Very low	40.4	Very low	140 Å²	140	139.2 Å²	139.2	75%	0.749	74%	0.741	S	S	*	*			trans	-116.7	90.7	174.6	-158.4	16.1	0	0	0	109.5	N330	N328-N330 PolarHBondContact O-N 3.46Å
329	N	41.7	Very low	41.5	Very low	137 Å²	137	141 Å²	141	73%	0.733	74%	0.742	S	S	*	*			trans	-78.7	105.1	161.8	-81.2	-20.5	0	0	0	108.1
330	N	45.5	Very low	42.2	Very low	147 Å²	147	142.8 Å²	142.8	79%	0.786	74%	0.736	S	S	*	*			trans	-159.1	108.1	150.3	-112.1	-13	0	0	0	112.9	N328	N328-N330 PolarHBondContact O-N 3.46Å
331	S	42.1	Very low	42.9	Very low	93 Å²	93	146 Å²	146	65%	0.65	74%	0.744	S	S	*	*			trans	29.1	114.6	136.8	-165.2	0	0	0	0	119
332	N	48.6	Very low	43.4	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	75%	0.745	S	S	*	*			trans	-123.5	102.3	149.7	-100.2	-14.4	0	0	0	108.5
333	N	52.9	Low	44	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	76%	0.759	S	S	*	*			trans	-92.9	119.8	160.7	-92.4	-18.3	0	0	0	108
334	N	54.2	Low	44.5	Very low	145 Å²	145	152.7 Å²	152.7	78%	0.775	76%	0.757	S	S	*	*			trans	-104.2	115.2	169.5	-89.2	-24.5	0	0	0	110.5
335	N	42.8	Very low	44.6	Very low	151 Å²	151	153 Å²	153	81%	0.807	76%	0.76	S	S	*	*			trans	22.4	126.9	142.5	-74.3	-20.6	0	0	0	120.1
336	K	51.5	Low	45.2	Very low	189 Å²	189	156.5 Å²	156.5	82%	0.822	76%	0.763	S	S	*	*			trans	-160.3	122.8	130.2	-106.8	169	-174.6	177.6	0	111.9
337	N	46.9	Very low	45.6	Very low	125 Å²	125	153.3 Å²	153.3	67%	0.668	76%	0.759	S	S	*	*			trans	83.5	115.5	136.5	-62.7	-4.9	0	0	0	121.7
338	N	45.9	Very low	46.2	Very low	144 Å²	144	153.6 Å²	153.6	77%	0.77	76%	0.761	S	S	*	*				100.7	127.5	120	-72	-2.4	0	0	0	121.2
339	E	49.4	Very low	46.3	Very low	148 Å²	148	155.6 Å²	155.6	69%	0.692	76%	0.763	S	S	*	*			trans	99.2	104	144.4	-74.9	-170	147.2	0	0	122.3
340	K	42.3	Very low	46.2	Very low	160 Å²	160	156.2 Å²	156.2	70%	0.696	77%	0.765	S	S	*	*				81.9	134	117.7	-79.3	172.5	179.6	156.9	0	121.8
341	R	45.5	Very low	46.5	Very low	226 Å²	226	159 Å²	159	85%	0.853	77%	0.771	S	S	*	*			trans	86.6	107	155.3	-67.6	169	179.8	-169.4	0.3	116.1
342	Q	44.5	Very low	46.4	Very low	170 Å²	170	163 Å²	163	79%	0.794	78%	0.78	S	S	*	*				88.5	121	70.5	-89.1	-165.2	4.5	0	0	114.1
343	I	44.3	Very low	46.2	Very low	126 Å²	126	164 Å²	164	65%	0.646	78%	0.779	S	S	*	*			trans	99.3	109.3	131.2	-70.2	172.1	0	0	0	120.5
344	Y	43.2	Very low	45.7	Very low	193 Å²	193	165 Å²	165	76%	0.757	78%	0.776	S	S	*	*			trans	80.5	118.6	137.8	-77.2	-106.5	0	0	0	125
345	N	40.7	Very low	45.2	Very low	142 Å²	142	163.9 Å²	163.9	76%	0.759	78%	0.777	S	S	*	*				34.1	131.8	127.5	-67.8	-5	0	0	0	121.1
346	K	51.3	Low	45.6	Very low	199 Å²	199	164.9 Å²	164.9	87%	0.865	78%	0.781	S	S	*	*				176.9	146.7	98.7	-148	166.3	-176.8	175	0	112.4
347	D	45.3	Very low	44.8	Very low	140 Å²	140	161.5 Å²	161.5	75%	0.749	78%	0.777	S	S	*	*			trans	-65.2	155.3	-175.4	-50.2	-69.9	0	0	0	116.3
348	N	49	Very low	44.6	Very low	144 Å²	144	162.8 Å²	162.8	77%	0.77	78%	0.783	S	S	*	*			trans	-173.3	116	132.3	-96.3	-31.3	0	0	0	114.7
349	K	44.7	Very low	44.2	Very low	181 Å²	181	161.7 Å²	161.7	79%	0.787	78%	0.782	S	S	*	*				57	125.8	125.9	-71.5	-175.1	176.8	-177.8	0	123.6
350	L	39.2	Very low	43.7	Very low	150 Å²	150	159 Å²	159	79%	0.785	78%	0.779	S	S	*	*			trans	60.1	120	133.3	-100.1	83	0	0	0	120.4
351	F	52.2	Low	43.8	Very low	207 Å²	207	159.1 Å²	159.1	91%	0.908	79%	0.786	S	S	*	*				-163.1	121.3	118.8	-112.3	-79.7	0	0	0	110.6
352	E	41.1	Very low	43.5	Very low	177 Å²	177	152.9 Å²	152.9	83%	0.827	78%	0.777	S	S	*	*			trans	-89.4	155.8	167.7	-77.5	-170.6	149.2	0	0	111.4
353	Q	42.9	Very low	43.4	Very low	175 Å²	175	149.3 Å²	149.3	82%	0.818	77%	0.771	S	S	*	*			trans	148.3	137.4	148.2	-85.5	177.4	32	0	0	108.2
354	K	43.5	Very low	43.3	Very low	174 Å²	174	151 Å²	151	76%	0.757	78%	0.781	S	S	*	*			cis	-173.8	145.2	3.2	-133.4	175.4	-178.4	176.8	0	105.9
355	P	42.7	Very low	43.2	Very low	121 Å²	121	146.9 Å²	146.9	79%	0.786	78%	0.78	S	S	*	*			trans	-104.7	148.4	161.5	34.5	-24.8	0	0	0	111.4
356	L	51.4	Low	43.1	Very low	172 Å²	172	145.2 Å²	145.2	90%	0.901	78%	0.78	S	S	*	*			trans	-119.7	125.2	174.1	-86.9	163.9	0	0	0	110.9
357	T	34.9	Very low	42.6	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.724	77%	0.772	S	S	*	*			trans	-112.3	167.2	171.9	23.2	0	0	0	0	110.2
358	L	42	Very low	42.4	Very low	151 Å²	151	139.8 Å²	139.8	79%	0.791	77%	0.772	S	S	*	*			trans	81.6	139.1	170.2	-62.8	117.8	0	0	0	114.7
359	T	38.8	Very low	41.9	Very low	122 Å²	122	137.4 Å²	137.4	75%	0.748	77%	0.767	S	S	*	*			cis	-163	155.5	32.1	-21.9	0	0	0	0	110.7
360	S	39.2	Very low	41.9	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	77%	0.771	S	S	*	*			trans	-47.6	154.1	169.7	48.8	0	0	0	0	117.7
361	L	44.2	Very low	42.3	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	77%	0.771	S	S	*	*				-177.5	144	118.4	-93.8	149.2	0	0	0	113
362	S	39.6	Very low	42.3	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	77%	0.772	S	S	*	*			trans	-26.6	159.4	163.1	50.6	0	0	0	0	117
363	S	41.1	Very low	42.8	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	77%	0.77	S	S	*	*			cis	178.5	150.5	38	12.7	0	0	0	0	110.4
364	L	43.1	Very low	42.9	Very low	163 Å²	163	138.4 Å²	138.4	85%	0.853	78%	0.775	S	S	*	*			trans	60.3	138.6	143.2	-79.4	106.3	0	0	0	124
365	S	40.8	Very low	43.3	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	78%	0.778	S	S	*	*			trans	100.5	97.2	141.5	68.4	0	0	0	0	119.9
366	S	38.7	Very low	43.5	Very low	108 Å²	108	139.9 Å²	139.9	76%	0.755	78%	0.784	S	S	*	*			trans	5.3	131.2	130	56.7	0	0	0	0	119.9
367	S	40.5	Very low	43.4	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	78%	0.781	S	S	*	*				177.7	123.4	117.8	58.6	0	0	0	0	113.1
368	T	40.3	Very low	44.1	Very low	122 Å²	122	146.6 Å²	146.6	75%	0.748	79%	0.791	S	S	*	*			trans	53.6	115.5	134.2	61.6	0	0	0	0	121.9
369	S	39.8	Very low	44.1	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	78%	0.784	S	S	*	*				27.5	133.4	129.3	61.9	0	0	0	0	120
370	N	44.1	Very low	44.3	Very low	160 Å²	160	146.1 Å²	146.1	86%	0.856	78%	0.783	S	S	*	*				-169.8	141.4	118.3	-90.2	-33.5	0	0	0	113.4
371	E	48.3	Very low	44.5	Very low	169 Å²	169	147.2 Å²	147.2	79%	0.79	79%	0.786	S	S	*	*			trans	-69	134.2	178.9	-58.5	173.4	138.8	0	0	112.3
372	E	51.3	Low	44.5	Very low	202 Å²	202	148.2 Å²	148.2	94%	0.944	78%	0.784	S	S	*	*			trans	-88.6	112.7	173	-156.2	172.3	-164.9	0	0	109.8
373	R	51.6	Low	44.7	Very low	205 Å²	205	151.3 Å²	151.3	77%	0.774	79%	0.787	S	S	*	*			trans	-88.6	126.8	-177.2	-59.3	179.3	-152.5	170	7.4	110.5	L375	R373-L375 PolarHBondContact O-N 3.07Å
374	D	46	Very low	44.6	Very low	174 Å²	174	154 Å²	154	93%	0.93	80%	0.795	S	S	*	*			trans	-62.1	113.6	160.5	-96.5	-30.6	0	0	0	109.7
375	L	50.2	Low	44.9	Very low	156 Å²	156	153.8 Å²	153.8	82%	0.817	79%	0.791	S	S	*	*			trans	-98	111	167.4	-117	92.7	0	0	0	109	R373	R373-L375 PolarHBondContact O-N 3.07Å
376	D	48.3	Very low	45.1	Very low	170 Å²	170	156.8 Å²	156.8	91%	0.909	79%	0.791	S	S	*	*			trans	-148.3	86.9	157.8	-103	-20.4	0	0	0	108.1
377	K	47.8	Very low	45.1	Very low	191 Å²	191	156.7 Å²	156.7	83%	0.83	79%	0.791	S	S	*	*			trans	-156.6	89.9	173.1	-146.2	-178.5	-171.6	-172.7	0	110.2
378	Y	49.5	Very low	45.3	Very low	240 Å²	240	158.8 Å²	158.8	94%	0.941	80%	0.799	S	S	*	*			trans	-138.1	111.9	152.5	-106.1	-85.3	0	0	0	109.8
379	V	42.6	Very low	45.5	Very low	107 Å²	107	159.5 Å²	159.5	65%	0.648	80%	0.799	S	S	*	*			trans	-114.5	132	162.4	-179.4	0	0	0	0	104.2
380	H	44.1	Very low	45.6	Very low	157 Å²	157	166.9 Å²	166.9	73%	0.727	81%	0.814	S	S	*	*			trans	151.5	115.4	131.3	-85.3	-65.8	0	0	0	113.5
381	T	43.7	Very low	45.4	Very low	115 Å²	115	166.8 Å²	166.8	71%	0.706	81%	0.808	S	S	*	*			trans	56.5	125.4	130.1	55.9	0	0	0	0	121.1
382	K	43.6	Very low	45.1	Very low	183 Å²	183	164.3 Å²	164.3	80%	0.796	80%	0.799	S	S	*	*			trans	149.6	148.3	131.9	-84.9	179	178.1	-169.9	0	106.5
383	Q	42.4	Very low	44.5	Very low	159 Å²	159	161.8 Å²	161.8	74%	0.743	79%	0.792	S	S	*	*			cis	-171	156.7	-10.3	-118.8	166.8	-42.6	0	0	103
384	D	41	Very low	43.9	Very low	152 Å²	152	157.1 Å²	157.1	81%	0.813	79%	0.791	S	S	*	*			trans	-52.2	151.9	179.6	-54.6	-67.6	0	0	0	114.5
385	M	47.9	Very low	43.7	Very low	157 Å²	157	155.1 Å²	155.1	77%	0.773	79%	0.785	S	S	*	*			trans	-172.1	122.5	132.6	-81.2	-132.3	121.7	0	0	112.3
386	F	45.4	Very low	43.2	Very low	169 Å²	169	157.6 Å²	157.6	74%	0.741	79%	0.79	S	S	*	*			trans	64.4	101.7	149.9	-57.9	-59.6	0	0	0	123.7
387	S	38.4	Very low	43.2	Very low	106 Å²	106	153.1 Å²	153.1	74%	0.741	78%	0.783	S	S	*	*				15.1	127.7	116.9	-38.8	0	0	0	0	120.2
388	T	46	Very low	42.9	Very low	145 Å²	145	151.6 Å²	151.6	89%	0.89	78%	0.784	S	S	*	*				-158	141.1	120.9	30.9	0	0	0	0	111.3
389	N	42.9	Very low	42.8	Very low	138 Å²	138	147.2 Å²	147.2	74%	0.738	78%	0.783	S	S	*	*			trans	-76.4	148.4	-175.4	-65.6	-60.1	0	0	0	112.9
390	Y	42.6	Very low	42.5	Very low	250 Å²	250	152.7 Å²	152.7	98%	0.98	79%	0.792	S	S	*	*			trans	-142.7	142.2	135.8	-82.9	-72.3	0	0	0	110.7
391	H	40.1	Very low	42.2	Very low	158 Å²	158	155.6 Å²	155.6	73%	0.731	80%	0.796	S	S	*	*			trans	-124.4	143.4	-150.3	-149	-15.8	0	0	0	109
392	L	42.1	Very low	42	Very low	117 Å²	117	157.5 Å²	157.5	61%	0.613	80%	0.802	S	S	*	*			trans	62.6	117.8	147.2	-75.8	158.9	0	0	0	122
393	N	38.5	Very low	41.4	Very low	148 Å²	148	153.5 Å²	153.5	79%	0.791	80%	0.797	S	S	*	*				50.2	122.1	119.1	-62.3	3.6	0	0	0	121.2
394	S	39.5	Very low	41.2	Very low	107 Å²	107	154 Å²	154	75%	0.748	80%	0.804	S	S	*	*			trans	-172.5	106.1	137.5	170.6	0	0	0	0	109.1
395	T	40.9	Very low	41.1	Very low	133 Å²	133	156.3 Å²	156.3	82%	0.816	81%	0.807	S	S	*	*				89.7	133.2	95.8	-18.5	0	0	0	0	115
396	F	40.7	Very low	41.2	Very low	208 Å²	208	154.7 Å²	154.7	91%	0.912	81%	0.808	S	S	*	*			trans	-54	147.1	-179.4	-95.2	-106.5	0	0	0	115.4
397	G	48	Very low	40.7	Very low	75 Å²	75	151.4 Å²	151.4	77%	0.773	81%	0.806	S	S	*	*			trans	-166.6	104.9	163	0	0	0	0	0	112.4
398	N	41.5	Very low	41	Very low	159 Å²	159	154 Å²	154	85%	0.85	81%	0.807	S	S	*	*			trans	-65.9	127	169.6	-91	-40.8	0	0	0	111.2
399	V	45.9	Very low	40.7	Very low	149 Å²	149	152.6 Å²	152.6	90%	0.903	79%	0.794	S	S	*	*			trans	-146.2	140.1	150	-175.8	0	0	0	0	110.7
400	R	38	Very low	40.5	Very low	222 Å²	222	152.7 Å²	152.7	84%	0.838	79%	0.793	S	S	*	*			trans	-66.5	154	-173.9	-69.5	168.7	166.2	173.3	-4.7	115.3
401	R	37.7	Very low	40.7	Very low	218 Å²	218	147.5 Å²	147.5	82%	0.823	78%	0.782	S	S	*	*			trans	23.2	123.5	137.7	-59.5	-179.3	179.9	151.9	-0.4	118.3
402	N	38.7	Very low	40.7	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	79%	0.793	S	S	*	*				-179.3	148.5	104.1	-88.4	-18.1	0	0	0	111.8
403	S	31.6	Very low	40.7	Very low	98 Å²	98	151.4 Å²	151.4	69%	0.685	80%	0.797	S	S	*	*			trans	-49.6	150.6	173.7	52	0	0	0	0	115.8
404	L	38.5	Very low	40.7	Very low	170 Å²	170	151.7 Å²	151.7	89%	0.89	80%	0.797	S	S	*	*			trans	-177.7	122.7	130.3	-102.3	139.9	0	0	0	110.2
405	F	37.2	Very low	40.9	Very low	200 Å²	200	153.8 Å²	153.8	88%	0.877	80%	0.8	S	S	*	*			trans	-75.3	152.7	164.7	-88.8	-90.5	0	0	0	110.2
406	P	49.8	Very low	40.8	Very low	124 Å²	124	151.7 Å²	151.7	81%	0.805	79%	0.791	S	S	*	*			trans	-107.3	116.9	150.8	19.6	-1.6	0	0	0	110.8
407	S	36.1	Very low	40.8	Very low	99 Å²	99	148.7 Å²	148.7	69%	0.692	78%	0.784	S	S	*	*			trans	-70.8	178.7	161.4	46.8	0	0	0	0	112.7
408	Q	44.2	Very low	40.4	Very low	162 Å²	162	152.7 Å²	152.7	76%	0.757	79%	0.788	S	S	*	*			trans	103.5	139.5	158.5	-58.8	-172	10.4	0	0	114.5
409	N	39	Very low	40	Very low	115 Å²	115	150.5 Å²	150.5	62%	0.615	79%	0.785	S	S	*	*			cis	-174.3	148.1	-5.6	-96.4	-29	0	0	0	102.9
410	L	39.7	Very low	39.6	Very low	139 Å²	139	151.4 Å²	151.4	73%	0.728	78%	0.783	S	S	*	*				163.8	117.5	89	-100.4	115.6	0	0	0	105.6
411	N	46.2	Very low	39.4	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	78%	0.777	S	S	*	*				86.3	103.4	98.4	-67.3	-4.5	0	0	0	116.1
412	R	40.6	Very low	39.1	Very low	251 Å²	251	143.6 Å²	143.6	95%	0.947	78%	0.778	S	S	*	*			trans	-152.1	131.7	133.8	-124.6	-179.3	-171.6	-167.9	1.9	110.5
413	P	42.6	Very low	38.8	Very low	107 Å²	107	144.7 Å²	144.7	70%	0.695	78%	0.783	S	S	*	*			trans	-108.1	160.9	-165.9	40.9	-33.6	0	0	0	115.1
414	L	38.4	Very low	38.9	Very low	153 Å²	153	148.6 Å²	148.6	80%	0.801	79%	0.788	S	S	*	*			trans	64.5	116.7	146.9	-66.4	155.1	0	0	0	119.3
415	D	43.1	Very low	38.5	Very low	152 Å²	152	146.5 Å²	146.5	81%	0.813	78%	0.783	S	S	*	*				-164.1	136.2	94.2	-102	-22.7	0	0	0	114.7
416	S	40.3	Very low	38.1	Very low	88 Å²	88	145.4 Å²	145.4	62%	0.615	78%	0.778	S	S	*	*			trans	17	137.3	159.7	64.6	0	0	0	0	123.5
417	N	39.5	Very low	37.4	Very low	145 Å²	145	145.7 Å²	145.7	78%	0.775	78%	0.777	S	S	*	*			trans	77.5	84.3	146.6	-57.8	-17	0	0	0	117.6
418	N	39	Very low	37.2	Very low	160 Å²	160	148.4 Å²	148.4	86%	0.856	78%	0.781	S	S	*	*			trans	-157.8	114.6	130.9	-95.9	-23.3	0	0	0	110.1	I420	N418-I420 PolarHBondContact O-N 3.35Å
419	S	35	Very low	37	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	79%	0.785	S	S	*	*			trans	-54.5	116.8	172.2	42.1	0	0	0	0	111	S421	S419-S421 VanDerWaalsContact C-N 3.32Å; S419-S421 PolarHBondContact O-N 3.04Å
420	I	36.2	Very low	37	Very low	169 Å²	169	149.7 Å²	149.7	87%	0.867	80%	0.799	S	S	*	*			trans	-68.5	96.1	162.6	-65	171.1	0	0	0	106.2	N418 M422	N418-I420 PolarHBondContact O-N 3.35Å; I420-M422 PolarHBondContact O-N 3.46Å
421	S	34.8	Very low	36.9	Very low	101 Å²	101	146 Å²	146	71%	0.706	79%	0.794	S	S	*	*			trans	-65.4	116.7	167.9	54.6	0	0	0	0	108.3	S419 L423	S419-S421 VanDerWaalsContact C-N 3.32Å; S419-S421 PolarHBondContact O-N 3.04Å; S421-L423 PolarHBondContact O-N 2.71Å
422	M	31.3	Very low	36.8	Very low	174 Å²	174	148.7 Å²	148.7	86%	0.857	80%	0.799	S	S	*	*			trans	-46.6	126.8	161.2	-82.8	-171	-80.6	0	0	109	I420 K424	I420-M422 PolarHBondContact O-N 3.46Å; M422-K424 PolarHBondContact O-N 3.32Å
423	L	32.4	Very low	36.7	Very low	178 Å²	178	144.2 Å²	144.2	93%	0.932	79%	0.794	S	S	*	*			trans	-57	109.2	167.4	-97.3	153.6	0	0	0	107.8	S421 T425	S421-L423 PolarHBondContact O-N 2.71Å; L423-T425 PolarHBondContact O-N 3.36Å
424	K	33.4	Very low	36.4	Very low	181 Å²	181	147.1 Å²	147.1	79%	0.787	80%	0.803	S	S	*	*			trans	-60.9	113.5	-176.1	-162.6	173.2	-174.4	179	0	108.9	M422 F426	M422-K424 PolarHBondContact O-N 3.32Å; K424-F426 PolarHBondContact O-N 3.17Å
425	T	30.2	Very low	36.3	Very low	126 Å²	126	150.3 Å²	150.3	77%	0.773	81%	0.806	S	S	*	*			trans	-58.5	116	161.1	0.4	0	0	0	0	107.5	L423 T427	L423-T425 PolarHBondContact O-N 3.36Å; T425-T427 PolarHBondContact O-N 3.26Å; T425-T427 VanDerWaalsContact O-N 3.16Å
426	F	28.8	Very low	36.2	Very low	176 Å²	176	148.8 Å²	148.8	77%	0.772	81%	0.806	S	S	*	*			trans	-77.1	97.5	172.8	-120.8	-91	0	0	0	107.8	K424	K424-F426 PolarHBondContact O-N 3.17Å
427	T	34	Very low	35.9	Very low	130 Å²	130	154.5 Å²	154.5	80%	0.798	81%	0.814	S	S	*	*			trans	-81.4	109.5	163.6	-1.3	0	0	0	0	106.7	T425 D429	T425-T427 PolarHBondContact O-N 3.26Å; T425-T427 VanDerWaalsContact O-N 3.16Å; T427-D429 PolarHBondContact O-N 3.2Å
428	M	33	Very low	36.1	Very low	157 Å²	157	157.3 Å²	157.3	77%	0.773	82%	0.819	S	S	*	*			trans	-74.6	122.5	168.4	-79.2	-109.9	85.8	0	0	108.4	T430	M428-T430 PolarHBondContact O-N 3.02Å
429	D	38.9	Very low	36.3	Very low	158 Å²	158	156.2 Å²	156.2	85%	0.845	81%	0.807	S	S	*	*			trans	-71.7	119	178.5	-153.1	2.4	0	0	0	109.7	T427 G431	T427-D429 PolarHBondContact O-N 3.2Å; D429-G431 VanDerWaalsContact C-N 3.27Å; D429-G431 PolarHBondContact O-N 3.09Å
430	T	39.4	Very low	36.6	Very low	146 Å²	146	158.3 Å²	158.3	90%	0.896	81%	0.809	S	S	*	*			trans	-79.1	75.9	175.9	33.2	0	0	0	0	110	M428	M428-T430 PolarHBondContact O-N 3.02Å
431	G	37.9	Very low	36.8	Very low	62 Å²	62	157.7 Å²	157.7	64%	0.639	81%	0.807	S	S	*	*			trans	-99.1	113.4	175.6	0	0	0	0	0	113.5	D429	D429-G431 VanDerWaalsContact C-N 3.27Å; D429-G431 PolarHBondContact O-N 3.09Å
432	K	43.7	Very low	37.1	Very low	197 Å²	197	160.3 Å²	160.3	86%	0.857	81%	0.813	S	S	*	*			trans	75.4	97	154.6	-58.5	179.6	-179.2	177.4	0	118.5
433	N	39	Very low	37.5	Very low	157 Å²	157	158.7 Å²	158.7	84%	0.84	81%	0.806	S	S	*	*				20.1	105.9	129.6	-63	-21.9	0	0	0	117.4
434	L	36.7	Very low	38	Very low	168 Å²	168	155.5 Å²	155.5	88%	0.88	80%	0.797	S	S	*	*			trans	-143.3	110.1	140.6	-102.5	155.4	0	0	0	108	C436	L434-C436 PolarHBondContact O-N 3.01Å
435	Y	35.4	Very low	38.4	Very low	220 Å²	220	154.6 Å²	154.6	86%	0.863	80%	0.796	S	S	*	*			trans	-55.3	120.4	171.5	-105.4	-105.6	0	0	0	109.8
436	C	40.7	Very low	39.1	Very low	120 Å²	120	155.4 Å²	155.4	81%	0.811	80%	0.796	S	S	*	*			trans	-136.1	101.5	159.3	-83.4	0	0	0	0	108.5	L434 K438	L434-C436 PolarHBondContact O-N 3.01Å; C436-K438 PolarHBondContact O-N 3.42Å
437	R	35.2	Very low	39.8	Very low	207 Å²	207	153.8 Å²	153.8	78%	0.781	80%	0.795	S	S	*	*			trans	-72	87	175.3	-168.8	-175.5	-157	173.8	7	108.8	K439	R437-K439 HydrophobicContact CG-CG 4.29Å; R437-K439 PolarHBondContact O-N 2.79Å
438	K	44	Very low	40.6	Very low	204 Å²	204	154.7 Å²	154.7	89%	0.887	79%	0.794	S	S	*	*			trans	-82.6	97.3	160.2	-97.2	-176.5	175.1	-180	0	108.2	C436	C436-K438 PolarHBondContact O-N 3.42Å
439	K	43	Very low	41.1	Very low	138 Å²	138	155 Å²	155	60%	0.6	80%	0.799	S	S	*	*			trans	-68.2	152.1	152.5	-63.4	178.5	178.6	-178.9	0	106.5	R437	R437-K439 HydrophobicContact CG-CG 4.29Å; R437-K439 PolarHBondContact O-N 2.79Å
440	D	40.6	Very low	41.6	Very low	156 Å²	156	152.2 Å²	152.2	83%	0.834	79%	0.787	S	S	*	*			trans	99.3	61.7	179.5	-41.5	-23.3	0	0	0	114.4
441	L	41.1	Very low	42	Very low	155 Å²	155	152 Å²	152	81%	0.812	78%	0.781	S	S	*	*			trans	-134.3	85.5	152.9	-109.9	143.7	0	0	0	106.7	I443	L441-I443 VanDerWaalsContact C-N 3.31Å; L441-I443 PolarHBondContact O-N 3.27Å
442	N	39.6	Very low	42.5	Very low	157 Å²	157	156.9 Å²	156.9	84%	0.84	79%	0.789	S	S	*	*			trans	-70.5	92.3	167.7	-80	-15.9	0	0	0	107.7	C444	N442-C444 PolarHBondContact O-N 2.76Å
443	I	41.6	Very low	42.8	Very low	140 Å²	140	153.8 Å²	153.8	72%	0.718	78%	0.782	S	S	*	*			trans	-78.8	105.9	155.3	-61.4	173.1	0	0	0	104.2	L441 Q445	L441-I443 VanDerWaalsContact C-N 3.31Å; L441-I443 PolarHBondContact O-N 3.27Å; I443-Q445 PolarHBondContact O-N 2.85Å
444	C	41.2	Very low	43.4	Very low	110 Å²	110	153.5 Å²	153.5	74%	0.743	78%	0.781	S	S	*	*			trans	-58.8	104.1	168.9	-67.7	0	0	0	0	107.9	N442 D446	N442-C444 PolarHBondContact O-N 2.76Å; C444-D446 PolarHBondContact O-N 2.91Å
445	Q	43.5	Very low	44.3	Very low	162 Å²	162	157.1 Å²	157.1	76%	0.757	78%	0.784	S	S	*	*			trans	-71.3	113.2	151.9	-87	174.6	-55.8	0	0	105.7	I443 D447	I443-Q445 PolarHBondContact O-N 2.85Å; Q445-D447 PolarHBondContact O-N 2.64Å
446	D	43.3	Very low	45.5	Very low	144 Å²	144	154.4 Å²	154.4	77%	0.77	78%	0.784	S	S	*	*			trans	-65.6	89.1	164.1	-74	-29.8	0	0	0	107.5	C444 L448	C444-D446 PolarHBondContact O-N 2.91Å; D446-L448 PolarHBondContact O-N 3.17Å
447	D	45.3	Very low	46.2	Very low	141 Å²	141	155.4 Å²	155.4	75%	0.754	78%	0.782	S	S	*	*			trans	-69.4	78	166.1	-74.1	-27.7	0	0	0	108.4	Q445 N449	Q445-D447 PolarHBondContact O-N 2.64Å; D447-N449 PolarHBondContact O-N 3.01Å
448	L	50.4	Low	47.1	Very low	150 Å²	150	152.4 Å²	152.4	79%	0.785	78%	0.781	S	S	*	*			trans	-71.2	88.3	161.6	-76.8	171.5	0	0	0	108.1	D446 V450	D446-L448 PolarHBondContact O-N 3.17Å; L448-V450 HydrophobicContact CB-CG2 4.39Å; L448-V450 PolarHBondContact O-N 3.01Å
449	N	43.2	Very low	47.7	Very low	164 Å²	164	151.9 Å²	151.9	88%	0.877	78%	0.782	S	S	*	*			trans	-64	83.3	162.9	-121.2	-5.4	0	0	0	108.5	D447 N451	D447-N449 PolarHBondContact O-N 3.01Å; N449-N451 PolarHBondContact O-N 3.43Å
450	V	48.1	Very low	48.1	Very low	98 Å²	98	152.2 Å²	152.2	59%	0.594	79%	0.789	S	S	*	*			trans	-85.4	106.1	169.2	-179	0	0	0	0	107.5	L448 M452	L448-V450 HydrophobicContact CB-CG2 4.39Å; L448-V450 PolarHBondContact O-N 3.01Å; V450-M452 HydrophobicContact CG1-CG 4.39Å; V450-M452 PolarHBondContact O-N 2.85Å
451	N	49.3	Very low	48.4	Very low	142 Å²	142	152.6 Å²	152.6	76%	0.759	79%	0.786	S	S	*	*			trans	-63	101.4	171.7	-160.4	8.2	0	0	0	108.5	N449	N449-N451 PolarHBondContact O-N 3.43Å
452	M	47.8	Very low	48.9	Very low	164 Å²	164	153.3 Å²	153.3	81%	0.808	79%	0.791	S	S	*	*			trans	-96	82.3	177.9	-83.7	-73.9	-169.9	0	0	109	V450	V450-M452 HydrophobicContact CG1-CG 4.39Å; V450-M452 PolarHBondContact O-N 2.85Å
453	N	49.6	Very low	49.4	Very low	133 Å²	133	155.4 Å²	155.4	71%	0.711	79%	0.792	S	S	*	*			trans	-135.7	136.3	160.8	-71.1	-44.7	0	0	0	106.2
454	D	52.2	Low	49.7	Very low	151 Å²	151	156.8 Å²	156.8	81%	0.807	80%	0.8	S	S	*	*			trans	75.1	94.1	-168.5	-59.8	-21.8	0	0	0	114.1
455	Y	55.8	Low	50	Low	244 Å²	244	161.4 Å²	161.4	96%	0.957	80%	0.802	S	S	*	*				-166.5	125.2	128.3	-97.7	-66.9	0	0	0	110.7
456	D	60.6	Low	50.3	Low	162 Å²	162	162.8 Å²	162.8	87%	0.866	81%	0.806	S	S	*	*			trans	-54	150.3	-179.1	-93	-47.2	0	0	0	115.2
457	D	54.6	Low	50.4	Low	142 Å²	142	161.7 Å²	161.7	76%	0.759	81%	0.808	S	S	*	*	S	Bend	trans	-51.3	147	173.9	-80.8	-44.1	0	0	0	114.2
458	N	53.6	Low	50.6	Low	144 Å²	144	161 Å²	161	77%	0.77	81%	0.808	S	S	*	*			trans	89.2	82.9	162.9	-49.3	-56.2	0	0	0	117.5
459	H	56.4	Low	50.9	Low	193 Å²	193	157.5 Å²	157.5	89%	0.894	80%	0.797	S	S	*	*			trans	-156.1	132	135.7	-119	-72.5	0	0	0	113.9
460	L	52.7	Low	51.8	Low	144 Å²	144	157.7 Å²	157.7	75%	0.754	80%	0.798	S	S	*	*			trans	-49.9	139.6	-178.6	-103.4	71.9	0	0	0	116.1
461	E	46.4	Very low	52.5	Low	165 Å²	165	156.3 Å²	156.3	77%	0.771	79%	0.79	S	S	*	*			trans	48.6	96.2	138.2	-71.4	-175.9	133.6	0	0	120.1
462	N	51.1	Low	53.4	Low	170 Å²	170	153.8 Å²	153.8	91%	0.909	78%	0.776	S	S	*	*			trans	-154.9	69.8	131.5	-96.4	-36.9	0	0	0	109.1	L464	N462-L464 VanDerWaalsContact C-N 3.35Å; N462-L464 PolarHBondContact O-N 2.7Å
463	K	50.3	Low	54.5	Low	200 Å²	200	150 Å²	150	87%	0.87	76%	0.758	S	S	*	*			trans	-79	83.6	178.9	-134	174.6	-170.8	174.6	0	108.8	R465	K463-R465 VanDerWaalsContact C-N 3.32Å; K463-R465 PolarHBondContact O-N 2.75Å
464	L	49.1	Very low	55.6	Low	169 Å²	169	154.3 Å²	154.3	89%	0.885	76%	0.764	S	S	*	*			trans	-56.1	101.7	159.1	-87.1	162.5	0	0	0	106.9	N462 K466	N462-L464 VanDerWaalsContact C-N 3.35Å; N462-L464 PolarHBondContact O-N 2.7Å; L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 3.44Å
465	R	47.2	Very low	56.8	Low	207 Å²	207	151.1 Å²	151.1	78%	0.781	75%	0.754	S	S	*	*			trans	-60.2	93.3	174.5	-75.1	-179.3	179.9	170	0.2	108.3	K463 C467	K463-R465 VanDerWaalsContact C-N 3.32Å; K463-R465 PolarHBondContact O-N 2.75Å; R465-C467 PolarHBondContact O-N 3.45Å; R465-C467 VanDerWaalsContact O-N 3.07Å
466	K	49.3	Very low	57.9	Low	192 Å²	192	140 Å²	140	84%	0.835	71%	0.713	S	S	*	*			trans	-64.9	102.1	157.7	-80.5	-177.4	176.2	179.7	0	106.4	L464 T468	L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 3.44Å; K466-T468 VanDerWaalsContact C-N 3.35Å; K466-T468 PolarHBondContact O-N 3.49Å
467	C	45.5	Very low	58.9	Low	120 Å²	120	137.3 Å²	137.3	81%	0.811	70%	0.698	S	S	*	*			trans	-68.8	96.7	165.8	-86	0	0	0	0	108.1	R465 S469	R465-C467 PolarHBondContact O-N 3.45Å; R465-C467 VanDerWaalsContact O-N 3.07Å; C467-S469 PolarHBondContact O-N 3.36Å; C467-S469 VanDerWaalsContact O-N 3.16Å
468	T	49	Very low	60.1	Low	126 Å²	126	133.8 Å²	133.8	77%	0.773	68%	0.678	S	S	*	*			trans	-81.4	74	163.4	52.7	0	0	0	0	107.9	K466 N470	K466-T468 VanDerWaalsContact C-N 3.35Å; K466-T468 PolarHBondContact O-N 3.49Å; T468-N470 PolarHBondContact O-N 3.11Å
469	S	57.5	Low	61.6	Low	77 Å²	77	128 Å²	128	54%	0.538	65%	0.648	S	S	.	*			trans	-82.3	112.7	169.1	67.5	0	0	0	0	108	C467 V471	C467-S469 PolarHBondContact O-N 3.36Å; C467-S469 VanDerWaalsContact O-N 3.16Å; S469-V471 PolarHBondContact O-N 2.97Å
470	N	60.8	Low	62.8	Low	169 Å²	169	122.6 Å²	122.6	90%	0.904	62%	0.62	S	S	*	*			trans	-69.9	25.5	171	-74.6	-16.5	0	0	0	112.7	T468 D472	T468-N470 PolarHBondContact O-N 3.11Å; N470-D472 PolarHBondContact O-N 3.18Å
471	V	63.7	Low	64.4	Low	69 Å²	69	117.4 Å²	117.4	42%	0.418	59%	0.593	S	S	.	*			trans	-79.8	118.3	-175.7	-174.7	0	0	0	0	107.7	S469 I473 Y504	S469-V471 PolarHBondContact O-N 2.97Å; V471-I473 PolarHBondContact O-N 3.19Å; V471-Y504 HydrophobicContact CB-CE1 4.2Å; V471-Y504 HydrophobicContact CG1-CD1 3.63Å; V471-Y504 HydrophobicContact CG1-CE1 3.14Å
472	D	69	Low	66.1	Low	88 Å²	88	111.6 Å²	111.6	47%	0.471	57%	0.57	S	S	.	*			trans	-61.2	107.6	176.1	-173.2	-3	0	0	0	109.1	N470 R474 S475	N470-D472 PolarHBondContact O-N 3.18Å; D472-R474 PolarHBondContact O-N 3.12Å; D472-R474 WeakPolarHBondContact OD1-CB 3.38Å; D472-R474 WeakPolarHBondContact OD1-CD 3.44Å; D472-R474 WeakPolarHBondContact OD1-CG 3.32Å; D472-R474 PolarHBondContact OD1-N 3.35Å; D472-S475 WeakPolarHBondContact O-CB 3.31Å; D472-S475 PolarHBondContact O-N 2.99Å; D472-S475 PolarHBondContact O-OG 2.96Å; D472-S475 VanDerWaalsContact O-OG 3.12Å
473	I	70.6	Confident	67.5	Low	84 Å²	84	111.2 Å²	111.2	43%	0.431	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-53.1	-25.9	178.8	-63.6	171.9	0	0	0	110.8	V471 S475 A476 M478	V471-I473 PolarHBondContact O-N 3.19Å; I473-S475 PolarHBondContact O-N 3.14Å; I473-S475 VanDerWaalsContact O-N 3.17Å; I473-A476 PolarHBondContact O-N 2.89Å; I473-M478 HydrophobicContact CG2-CE 3.68Å
474	R	72.9	Confident	68.9	Low	224 Å²	224	103.9 Å²	103.9	85%	0.845	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-63.9	-17.4	177.2	-61.1	174	173.4	-173.8	-0.7	113.7	D472	D472-R474 PolarHBondContact O-N 3.12Å; D472-R474 WeakPolarHBondContact OD1-CB 3.38Å; D472-R474 WeakPolarHBondContact OD1-CD 3.44Å; D472-R474 WeakPolarHBondContact OD1-CG 3.32Å; D472-R474 PolarHBondContact OD1-N 3.35Å
475	S	76.2	Confident	70	Confident	84 Å²	84	97.7 Å²	97.7	59%	0.587	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-91.1	-7.8	-179.6	-38.7	0	0	0	0	113.3	D472 I473	D472-S475 WeakPolarHBondContact O-CB 3.31Å; D472-S475 PolarHBondContact O-N 2.99Å; D472-S475 PolarHBondContact O-OG 2.96Å; D472-S475 VanDerWaalsContact O-OG 3.12Å; I473-S475 PolarHBondContact O-N 3.14Å; I473-S475 VanDerWaalsContact O-N 3.17Å
476	A	79.8	Confident	71.4	Confident	12 Å²	12	93.4 Å²	93.4	10%	0.099	49%	0.494	C	S	.	.	S	Bend	trans	-89.4	140.2	-176.5	0	0	0	0	0	111.6	I473 M478 A502 Y504	I473-A476 PolarHBondContact O-N 2.89Å; A476-M478 PolarHBondContact O-N 2.85Å; A476-A502 HydrophobicContact CB-CB 3.79Å; A476-Y504 HydrophobicContact CB-CD1 3.9Å; A476-Y504 HydrophobicContact CB-CE1 3.55Å
477	D	81.1	Confident	73	Confident	105 Å²	105	86.5 Å²	86.5	56%	0.561	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	105.5	164.3	-76.6	-24.2	0	0	0	108.1	R503	D477-R503 PolarHBondContact N-O 3.16Å; D477-R503 VanDerWaalsContact N-O 3.09Å; D477-R503 PolarHBondContact O-N 3.2Å
478	M	80.7	Confident	74.9	Confident	67 Å²	67	82 Å²	82	33%	0.33	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.1	176.6	-77.3	-165.6	136.4	0	0	110.9	I473 A476 Y500	I473-M478 HydrophobicContact CG2-CE 3.68Å; A476-M478 PolarHBondContact O-N 2.85Å; M478-Y500 HydrophobicContact CE-CD1 4.23Å; M478-Y500 HydrophobicContact CE-CD2 3.4Å; M478-Y500 HydrophobicContact CE-CE1 4.39Å; M478-Y500 HydrophobicContact CE-CE2 3.57Å; M478-Y500 HydrophobicContact CE-CG 3.74Å
479	T	83.4	Confident	76.6	Confident	22 Å²	22	81 Å²	81	14%	0.135	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.1	167.7	-54.3	0	0	0	0	108.3	I491 Y500 M501	T479-I491 HydrophobicContact CG2-CB 4.38Å; T479-I491 HydrophobicContact CG2-CD1 4.27Å; T479-I491 HydrophobicContact CG2-CG1 4.08Å; T479-I491 HydrophobicContact CG2-CG2 3.49Å; T479-I491 VanDerWaalsContact CG2-CG2 3.49Å; T479-Y500 WeakPolarHBondContact O-CA 3.4Å; T479-M501 PolarHBondContact N-O 3.01Å; T479-M501 PolarHBondContact O-N 2.92Å
480	Y	83.3	Confident	78	Confident	80 Å²	80	83.7 Å²	83.7	31%	0.314	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.4	178.4	-50.9	-81.1	0	0	0	110.5	I491 N492 I497	Y480-I491 WeakPolarHBondContact O-CA 2.79Å; Y480-N492 WeakPolarHBondContact CB-O 3.23Å; Y480-N492 PolarHBondContact O-N 2.79Å; Y480-I497 HydrophobicContact CD1-CD1 4.14Å; Y480-I497 HydrophobicContact CD1-CG1 3.87Å; Y480-I497 HydrophobicContact CE1-CD1 3.74Å; Y480-I497 HydrophobicContact CE1-CG1 3.96Å
481	L	85.3	Confident	79.2	Confident	36 Å²	36	81.4 Å²	81.4	19%	0.188	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.6	177.4	-59.6	175.8	0	0	0	108.2	I489 R490 I491 M499	L481-I489 HydrophobicContact CB-CG2 3.95Å; L481-I489 HydrophobicContact CD1-CG2 4.3Å; L481-I489 HydrophobicContact CD2-CG2 4.01Å; L481-I489 HydrophobicContact CG-CG2 4.31Å; L481-R490 CarbonylContact C-O 3.53Å; L481-R490 WeakPolarHBondContact CA-O 3.39Å; L481-I491 HydrophobicContact CD2-CG1 4.07Å; L481-M499 HydrophobicContact CB-CB 4.08Å; L481-M499 HydrophobicContact CB-CE 4.32Å; L481-M499 HydrophobicContact CD1-CB 4.49Å; L481-M499 HydrophobicContact CD1-CE 3.64Å; L481-M499 PolarHBondContact N-O 3.03Å
482	C	83	Confident	80	Confident	42 Å²	42	80.8 Å²	80.8	28%	0.284	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.9	167.5	70.2	0	0	0	0	110	I489 R490 N492	C482-I489 CarbonylContact O-C 3.57Å; C482-I489 WeakPolarHBondContact O-CA 3.18Å; C482-R490 PolarHBondContact N-O 3.5Å; C482-R490 PolarHBondContact O-N 3.44Å; C482-N492 HydrophobicContact CB-CB 4.17Å
483	Y	80.3	Confident	80.5	Confident	163 Å²	163	83.1 Å²	83.1	64%	0.639	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.6	174.6	179.7	-97.4	0	0	0	109.5	P485 I489	Y483-P485 HydrophobicContact CE1-CB 4.39Å; Y483-P485 HydrophobicContact CE1-CG 4.39Å; Y483-I489 HydrophobicContact CD2-CG1 4.24Å
484	D	78.8	Confident	80.7	Confident	46 Å²	46	87.2 Å²	87.2	25%	0.246	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.4	169.6	179.1	-41.5	0	0	0	108.2	V486 A487 G488 R490	D484-V486 PolarHBondContact O-N 3.18Å; D484-V486 VanDerWaalsContact O-N 3.11Å; D484-V486 WeakPolarHBondContact OD1-CA 3.2Å; D484-V486 WeakPolarHBondContact OD1-CB 3.49Å; D484-V486 PolarHBondContact OD1-N 2.88Å; D484-A487 HydrophobicContact CB-CB 4.08Å; D484-A487 PolarHBondContact O-N 3.19Å; D484-A487 PolarHBondContact OD1-N 2.89Å; D484-G488 WeakPolarHBondContact CB-O 3.2Å; D484-G488 PolarHBondContact N-O 3.48Å; D484-G488 VanDerWaalsContact O-CA 3.28Å; D484-G488 WeakPolarHBondContact O-CA 3.48Å; D484-G488 PolarHBondContact O-N 3.45Å; D484-R490 HydrophobicContact CB-CG 4.34Å; D484-R490 IonicContact OD2-CZ 2.78Å; D484-R490 IonicContact OD2-NE 3.84Å; D484-R490 PolarHBondContact OD2-NE 2.88Å; D484-R490 IonicContact OD2-NH2 3.53Å
485	P	72	Confident	80.3	Confident	39 Å²	39	78.2 Å²	78.2	25%	0.253	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.1	-177.7	-23.2	32.1	0	0	0	114.8	I162 Y483	I162-P485 HydrophobicContact CG2-CG 4.41Å; Y483-P485 HydrophobicContact CE1-CB 4.39Å; Y483-P485 HydrophobicContact CE1-CG 4.39Å
486	V	77.1	Confident	79.7	Confident	116 Å²	116	79.9 Å²	79.9	70%	0.703	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-40.7	-178.2	-179.3	0	0	0	0	110.9	D484	D484-V486 PolarHBondContact O-N 3.18Å; D484-V486 VanDerWaalsContact O-N 3.11Å; D484-V486 WeakPolarHBondContact OD1-CA 3.2Å; D484-V486 WeakPolarHBondContact OD1-CB 3.49Å; D484-V486 PolarHBondContact OD1-N 2.88Å
487	A	83.7	Confident	78.6	Confident	48 Å²	48	84.1 Å²	84.1	40%	0.397	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-4.1	-171.8	0	0	0	0	0	115	D484 R490	D484-A487 HydrophobicContact CB-CB 4.08Å; D484-A487 PolarHBondContact O-N 3.19Å; D484-A487 PolarHBondContact OD1-N 2.89Å; A487-R490 VanDerWaalsContact CB-CZ 3.46Å
488	G	85.6	Confident	78.1	Confident	26 Å²	26	88.7 Å²	88.7	27%	0.268	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.4	-154	-176.9	0	0	0	0	0	112.8	D484 R490	D484-G488 WeakPolarHBondContact CB-O 3.2Å; D484-G488 PolarHBondContact N-O 3.48Å; D484-G488 VanDerWaalsContact O-CA 3.28Å; D484-G488 WeakPolarHBondContact O-CA 3.48Å; D484-G488 PolarHBondContact O-N 3.45Å; G488-R490 PolarHBondContact O-N 2.81Å
489	I	83.7	Confident	78.1	Confident	104 Å²	104	90.1 Å²	90.1	53%	0.533	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.3	-178.7	-60.2	170.8	0	0	0	109.3	L481 C482 Y483 M499	L481-I489 HydrophobicContact CB-CG2 3.95Å; L481-I489 HydrophobicContact CD1-CG2 4.3Å; L481-I489 HydrophobicContact CD2-CG2 4.01Å; L481-I489 HydrophobicContact CG-CG2 4.31Å; C482-I489 CarbonylContact O-C 3.57Å; C482-I489 WeakPolarHBondContact O-CA 3.18Å; Y483-I489 HydrophobicContact CD2-CG1 4.24Å; I489-M499 HydrophobicContact CD1-CE 4.27Å
490	R	86.3	Confident	78	Confident	134 Å²	134	94.6 Å²	94.6	51%	0.506	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.6	175.5	-65.4	-173.8	173.3	-154.5	4.4	110.4	L481 C482 D484 A487 G488	L481-R490 CarbonylContact C-O 3.53Å; L481-R490 WeakPolarHBondContact CA-O 3.39Å; C482-R490 PolarHBondContact N-O 3.5Å; C482-R490 PolarHBondContact O-N 3.44Å; D484-R490 HydrophobicContact CB-CG 4.34Å; D484-R490 IonicContact OD2-CZ 2.78Å; D484-R490 IonicContact OD2-NE 3.84Å; D484-R490 PolarHBondContact OD2-NE 2.88Å; D484-R490 IonicContact OD2-NH2 3.53Å; A487-R490 VanDerWaalsContact CB-CZ 3.46Å; G488-R490 PolarHBondContact O-N 2.81Å
491	I	86.3	Confident	78	Confident	120 Å²	120	95.2 Å²	95.2	62%	0.615	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.1	171.3	-62.9	169.6	0	0	0	107.7	T479 Y480 L481	T479-I491 HydrophobicContact CG2-CB 4.38Å; T479-I491 HydrophobicContact CG2-CD1 4.27Å; T479-I491 HydrophobicContact CG2-CG1 4.08Å; T479-I491 HydrophobicContact CG2-CG2 3.49Å; T479-I491 VanDerWaalsContact CG2-CG2 3.49Å; Y480-I491 WeakPolarHBondContact O-CA 2.79Å; L481-I491 HydrophobicContact CD2-CG1 4.07Å
492	N	81.1	Confident	77.9	Confident	57 Å²	57	94.9 Å²	94.9	31%	0.305	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.9	175.1	-168.2	1.8	0	0	0	109.3	Y480 C482 E494	Y480-N492 WeakPolarHBondContact CB-O 3.23Å; Y480-N492 PolarHBondContact O-N 2.79Å; C482-N492 HydrophobicContact CB-CB 4.17Å; N492-E494 VanDerWaalsContact CG-O 3.27Å; N492-E494 PolarHBondContact ND2-O 2.83Å; N492-E494 PolarHBondContact OD1-N 3.46Å; N492-E494 PolarHBondContact OD1-O 2.87Å
493	N	79.1	Confident	78	Confident	137 Å²	137	99.7 Å²	99.7	73%	0.733	51%	0.505	S	S	*	.	S	Bend	trans	-95.3	-16.7	175	-63.5	-8.6	0	0	0	111.4
494	E	74.5	Confident	78.1	Confident	169 Å²	169	96.5 Å²	96.5	79%	0.79	49%	0.492	S	S	*	.	S	Bend	trans	-145.8	105.3	-173.4	-63.4	-180	179.6	0	0	110.3	N492	N492-E494 VanDerWaalsContact CG-O 3.27Å; N492-E494 PolarHBondContact ND2-O 2.83Å; N492-E494 PolarHBondContact OD1-N 3.46Å; N492-E494 PolarHBondContact OD1-O 2.87Å
495	G	64.7	Low	78	Confident	36 Å²	36	99 Å²	99	37%	0.371	51%	0.506	S	S	.	.	S	Bend	trans	176.6	160	171.8	0	0	0	0	0	115.3	I497	G495-I497 PolarHBondContact O-N 2.8Å
496	P	63.4	Low	78.1	Confident	118 Å²	118	101.5 Å²	101.5	77%	0.766	52%	0.524	S	S	*	.			trans	-60	124.8	175.3	24.7	-31.9	0	0	0	109.9
497	I	58.3	Low	78	Confident	101 Å²	101	101.3 Å²	101.3	52%	0.518	52%	0.524	S	S	.	.			trans	-74.4	123.7	-166	-55.2	168.6	0	0	0	110.1	Y480 G495 Y500	Y480-I497 HydrophobicContact CD1-CD1 4.14Å; Y480-I497 HydrophobicContact CD1-CG1 3.87Å; Y480-I497 HydrophobicContact CE1-CD1 3.74Å; Y480-I497 HydrophobicContact CE1-CG1 3.96Å; G495-I497 PolarHBondContact O-N 2.8Å; I497-Y500 HydrophobicContact CG2-CD1 4.32Å
498	Y	68.9	Low	77	Confident	202 Å²	202	104.6 Å²	104.6	79%	0.792	54%	0.539	S	S	*	.	S	Bend	trans	-105.3	-27.5	158.9	-64.6	-76.9	0	0	0	112
499	M	80.7	Confident	75.8	Confident	96 Å²	96	108.7 Å²	108.7	47%	0.473	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-153	143.9	178.3	-110.8	164.4	44.4	0	0	110.4	L481 I489	L481-M499 HydrophobicContact CB-CB 4.08Å; L481-M499 HydrophobicContact CB-CE 4.32Å; L481-M499 HydrophobicContact CD1-CB 4.49Å; L481-M499 HydrophobicContact CD1-CE 3.64Å; L481-M499 PolarHBondContact N-O 3.03Å; I489-M499 HydrophobicContact CD1-CE 4.27Å
500	Y	82.2	Confident	74.6	Confident	117 Å²	117	107.2 Å²	107.2	46%	0.459	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.4	151.9	169.4	64.5	-93.7	0	0	0	109.3	M478 T479 I497 A502	M478-Y500 HydrophobicContact CE-CD1 4.23Å; M478-Y500 HydrophobicContact CE-CD2 3.4Å; M478-Y500 HydrophobicContact CE-CE1 4.39Å; M478-Y500 HydrophobicContact CE-CE2 3.57Å; M478-Y500 HydrophobicContact CE-CG 3.74Å; T479-Y500 WeakPolarHBondContact O-CA 3.4Å; I497-Y500 HydrophobicContact CG2-CD1 4.32Å; Y500-A502 HydrophobicContact CD2-CB 4.33Å; Y500-A502 HydrophobicContact CE2-CB 4.32Å
501	M	84.1	Confident	73.4	Confident	92 Å²	92	106.7 Å²	106.7	45%	0.453	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.4	118.8	167.1	-171.9	175.3	68.5	0	0	107.6	T479 R503	T479-M501 PolarHBondContact N-O 3.01Å; T479-M501 PolarHBondContact O-N 2.92Å; M501-R503 HydrophobicContact CE-CG 4.3Å
502	A	83.2	Confident	72.3	Confident	30 Å²	30	105 Å²	105	25%	0.248	57%	0.568	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	121.9	174.4	0	0	0	0	0	108.7	A476 Y500 Y504	A476-A502 HydrophobicContact CB-CB 3.79Å; Y500-A502 HydrophobicContact CD2-CB 4.33Å; Y500-A502 HydrophobicContact CE2-CB 4.32Å; A502-Y504 HydrophobicContact CB-CE2 4.39Å
503	R	84.1	Confident	71.1	Confident	142 Å²	142	109.5 Å²	109.5	54%	0.536	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.2	119.6	172	-69.7	-177.9	-70.2	167.4	-0.4	108.6	D477 M501	D477-R503 PolarHBondContact N-O 3.16Å; D477-R503 VanDerWaalsContact N-O 3.09Å; D477-R503 PolarHBondContact O-N 3.2Å; M501-R503 HydrophobicContact CE-CG 4.3Å
504	Y	81.8	Confident	69.7	Low	96 Å²	96	110.2 Å²	110.2	38%	0.376	59%	0.59	S	S	.	*			trans	-88.2	126	172.9	-63.3	-76.5	0	0	0	108.9	V471 A476 A502 S506	V471-Y504 HydrophobicContact CB-CE1 4.2Å; V471-Y504 HydrophobicContact CG1-CD1 3.63Å; V471-Y504 HydrophobicContact CG1-CE1 3.14Å; A476-Y504 HydrophobicContact CB-CD1 3.9Å; A476-Y504 HydrophobicContact CB-CE1 3.55Å; A502-Y504 HydrophobicContact CB-CE2 4.39Å; Y504-S506 PolarHBondContact O-N 3.03Å
505	N	76.6	Confident	68.9	Low	100 Å²	100	107.6 Å²	107.6	54%	0.535	59%	0.589	S	S	.	*			trans	-69.8	115.1	175.7	-155.8	-8.8	0	0	0	108.4	T507 V508	N505-T507 PolarHBondContact O-N 3.07Å; N505-V508 PolarHBondContact O-N 2.88Å; N505-V508 VanDerWaalsContact O-N 3.11Å
506	S	75.2	Confident	68.5	Low	91 Å²	91	109.6 Å²	109.6	64%	0.636	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-55.7	-22.8	-173.4	61.9	0	0	0	0	113.7	Y504 V508 I509	Y504-S506 PolarHBondContact O-N 3.03Å; S506-V508 VanDerWaalsContact C-N 3.29Å; S506-V508 PolarHBondContact O-N 2.96Å; S506-I509 PolarHBondContact O-N 3.13Å
507	T	74.1	Confident	67.9	Low	112 Å²	112	111.5 Å²	111.5	69%	0.687	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-73	-15.4	-178.1	57.9	0	0	0	0	114.4	N505	N505-T507 PolarHBondContact O-N 3.07Å
508	V	63.3	Low	67.5	Low	117 Å²	117	113.1 Å²	113.1	71%	0.709	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-99.2	-7.8	-179.4	-171.9	0	0	0	0	111.9	N505 S506 S510	N505-V508 PolarHBondContact O-N 2.88Å; N505-V508 VanDerWaalsContact O-N 3.11Å; S506-V508 VanDerWaalsContact C-N 3.29Å; S506-V508 PolarHBondContact O-N 2.96Å; V508-S510 VanDerWaalsContact C-N 3.32Å; V508-S510 PolarHBondContact O-N 2.82Å
509	I	60	Low	66.5	Low	112 Å²	112	110.8 Å²	110.8	57%	0.574	61%	0.611	S	S	*	*	S	Bend	trans	-74.1	95.5	173.5	-54.1	176.8	0	0	0	106.6	S506 S511	S506-I509 PolarHBondContact O-N 3.13Å; I509-S511 PolarHBondContact O-N 3.3Å
510	S	58.8	Low	65	Low	72 Å²	72	113 Å²	113	50%	0.503	63%	0.631	S	S	.	*			trans	-37.6	124.3	168.9	171.8	0	0	0	0	109.2	V508 S512	V508-S510 VanDerWaalsContact C-N 3.32Å; V508-S510 PolarHBondContact O-N 2.82Å; S510-S512 PolarHBondContact O-N 2.9Å; S510-S512 PolarHBondContact OG-N 2.88Å; S510-S512 PolarHBondContact OG-OG 3.02Å
511	S	60.4	Low	63.1	Low	124 Å²	124	120.6 Å²	120.6	87%	0.867	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	13.4	177.7	58.2	0	0	0	0	113.8	I509	I509-S511 PolarHBondContact O-N 3.3Å
512	S	63.3	Low	62.1	Low	84 Å²	84	122.1 Å²	122.1	59%	0.587	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	3.5	179.4	69	0	0	0	0	114.1	S510	S510-S512 PolarHBondContact O-N 2.9Å; S510-S512 PolarHBondContact OG-N 2.88Å; S510-S512 PolarHBondContact OG-OG 3.02Å
513	H	56.5	Low	61	Low	151 Å²	151	126.9 Å²	126.9	70%	0.699	69%	0.693	S	S	*	*			trans	-114.6	91.6	168.4	-72.7	-52.2	0	0	0	109.8	C515	H513-C515 VanDerWaalsContact C-N 3.26Å; H513-C515 PolarHBondContact O-N 3.35Å
514	D	49.7	Very low	59.7	Low	153 Å²	153	126.1 Å²	126.1	82%	0.818	70%	0.702	S	S	*	*			trans	-57.4	90.5	162.3	-87.9	-36.1	0	0	0	109.4	A516	D514-A516 PolarHBondContact O-N 3.29Å; D514-A516 VanDerWaalsContact O-N 3.13Å
515	C	57	Low	58.4	Low	113 Å²	113	127.8 Å²	127.8	76%	0.764	72%	0.721	S	S	*	*			trans	-78.6	35.7	162.3	-77.9	0	0	0	0	111.4	H513 N517	H513-C515 VanDerWaalsContact C-N 3.26Å; H513-C515 PolarHBondContact O-N 3.35Å; C515-N517 VanDerWaalsContact C-N 3.25Å; C515-N517 PolarHBondContact O-N 3.44Å
516	A	56.2	Low	57.2	Low	79 Å²	79	129.6 Å²	129.6	65%	0.653	73%	0.733	S	S	*	*			trans	-77.2	-0.1	-176.7	0	0	0	0	0	114.6	D514	D514-A516 PolarHBondContact O-N 3.29Å; D514-A516 VanDerWaalsContact O-N 3.13Å
517	N	52.4	Low	56	Low	158 Å²	158	132.1 Å²	132.1	85%	0.845	74%	0.739	S	S	*	*			trans	-109.2	42.5	-177.7	-79.5	-22.4	0	0	0	114.5	C515 Q519	C515-N517 VanDerWaalsContact C-N 3.25Å; C515-N517 PolarHBondContact O-N 3.44Å; N517-Q519 VanDerWaalsContact C-N 3.33Å; N517-Q519 PolarHBondContact O-N 3.39Å
518	L	49.3	Very low	54.7	Low	134 Å²	134	133.6 Å²	133.6	70%	0.702	74%	0.743	S	S	*	*			trans	-92	73.1	160.1	-82.4	158.2	0	0	0	109.3	T520	L518-T520 PolarHBondContact O-N 3.07Å
519	Q	48.8	Very low	54.1	Low	153 Å²	153	134.8 Å²	134.8	72%	0.715	75%	0.745	S	S	*	*			trans	-68.6	112.5	156.3	-97	175.2	-13.5	0	0	107.8	N517 Y521	N517-Q519 VanDerWaalsContact C-N 3.33Å; N517-Q519 PolarHBondContact O-N 3.39Å; Q519-Y521 PolarHBondContact O-N 3.25Å
520	T	47.1	Very low	53.6	Low	143 Å²	143	136.8 Å²	136.8	88%	0.877	76%	0.76	S	S	*	*			trans	-54.4	114.7	161.3	8.4	0	0	0	0	109.3	L518	L518-T520 PolarHBondContact O-N 3.07Å
521	Y	43.8	Very low	53.1	Low	277 Å²	277	142.6 Å²	142.6	100%	1.086	78%	0.783	S	S	*	*			trans	-107.8	0	153.2	-86.1	-82.9	0	0	0	108.3	Q519	Q519-Y521 PolarHBondContact O-N 3.25Å

Retrieved 521 of 521 residues in 395.3 ms (Link to these results)

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