A0A096MDN5_POEFO Loading...

GIPC PDZ domain containing family, member 2

AlphaFold DB , UniProt , Accession A0A096MDN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 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	40.7	Very low	36	Very low	225 Å²	225	182.7 Å²	182.7	100%	1.108	89%	0.887	S	S	*	*				0	113.1	0	-68.6	173.7	178.7	0	0	107.7
2	P	44.6	Very low	35.6	Very low	130 Å²	130	175.9 Å²	175.9	84%	0.844	88%	0.882	S	S	*	*			trans	-92.6	134.8	179.2	34.4	-26.7	0	0	0	109.9
3	Y	39.1	Very low	35.4	Very low	230 Å²	230	172.1 Å²	172.1	90%	0.902	87%	0.874	S	S	*	*			trans	-113.9	135.6	168.2	-86.5	-81.8	0	0	0	109.7
4	G	37.8	Very low	35.2	Very low	68 Å²	68	174.4 Å²	174.4	70%	0.701	88%	0.875	S	S	*	*			trans	-73.6	174.1	-158.6	0	0	0	0	0	116.9
5	P	37.6	Very low	34.8	Very low	129 Å²	129	175.3 Å²	175.3	84%	0.838	88%	0.875	S	S	*	*			trans	-81.3	151.6	-175.9	31.4	-32.8	0	0	0	114
6	W	30.8	Very low	34.3	Very low	251 Å²	251	174.9 Å²	174.9	95%	0.951	87%	0.869	S	S	*	*			trans	-42.3	133.7	176.5	-82.2	12.8	0	0	0	116.2
7	K	34.9	Very low	34	Very low	206 Å²	206	174.2 Å²	174.2	90%	0.896	87%	0.868	S	S	*	*			trans	-106.9	120.5	154.8	-81.2	-174	175.5	-178.1	0	109.7
8	K	34.6	Very low	33.7	Very low	198 Å²	198	169.9 Å²	169.9	86%	0.861	85%	0.853	S	S	*	*			trans	-59.2	128	165.4	-76.4	175	174.6	175.2	0	109.3
9	K	32.8	Very low	33.4	Very low	210 Å²	210	170.8 Å²	170.8	91%	0.913	85%	0.854	S	S	*	*			trans	-113.5	127.9	162.8	-97.8	-175.8	175.5	-179.9	0	109.3
10	N	32.7	Very low	33.2	Very low	162 Å²	162	169.5 Å²	169.5	87%	0.866	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-66.4	147.7	-177.1	-82.2	-21.9	0	0	0	112.4	A12	N10-A12 PolarHBondContact O-N 3.5Å
11	K	31	Very low	33.1	Very low	201 Å²	201	170.6 Å²	170.6	87%	0.874	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-53.4	118.8	171.5	-164.8	175.8	-175.6	179.7	0	110.5
12	A	31.2	Very low	32.5	Very low	101 Å²	101	168.9 Å²	168.9	84%	0.835	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-90.4	125.6	166.5	0	0	0	0	0	108.7	N10	N10-A12 PolarHBondContact O-N 3.5Å
13	T	32.9	Very low	31.9	Very low	126 Å²	126	171 Å²	171	77%	0.773	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-77.2	144.2	-173.1	-44.7	0	0	0	0	110.4	E15	T13-E15 PolarHBondContact O-N 2.93Å
14	K	31.9	Very low	31.4	Very low	204 Å²	204	165.9 Å²	165.9	89%	0.887	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-52.7	125.4	171.9	-80.9	176.2	168.8	-178.5	0	110.7
15	E	29.2	Very low	30.9	Very low	189 Å²	189	166.5 Å²	166.5	88%	0.883	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-89.7	127.2	163.4	-71.7	-178.9	172.1	0	0	109.2	T13	T13-E15 PolarHBondContact O-N 2.93Å
16	H	27.6	Very low	30.4	Very low	168 Å²	168	163.7 Å²	163.7	78%	0.778	84%	0.844	S	S	*	*			trans	-104.3	109.9	-176.4	-174	-82	0	0	0	106.5
17	L	28.7	Very low	30.3	Very low	163 Å²	163	161 Å²	161	85%	0.853	84%	0.842	S	S	*	*			trans	-97.1	95.7	177.1	-76.9	163.7	0	0	0	109.1
18	V	28.6	Very low	30.1	Very low	98 Å²	98	156.2 Å²	156.2	59%	0.594	84%	0.841	S	S	*	*			trans	-138.6	104	157.8	-170.5	0	0	0	0	105.9
19	E	28.5	Very low	29.7	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	84%	0.84	S	S	*	*			trans	-86	112.2	168.1	-75.1	178.3	158.6	0	0	107.6
20	N	29.9	Very low	29.7	Very low	145 Å²	145	146.1 Å²	146.1	78%	0.775	84%	0.841	S	S	*	*			trans	-103.5	117.6	163.8	-88.8	-15.2	0	0	0	106.9	E22	N20-E22 PolarHBondContact O-N 3.12Å
21	E	30.6	Very low	29.4	Very low	192 Å²	192	142 Å²	142	90%	0.897	84%	0.837	S	S	*	*			trans	-73.6	112.7	169	-76.6	-175.5	140.8	0	0	109.8
22	E	28	Very low	29.2	Very low	190 Å²	190	138 Å²	138	89%	0.888	84%	0.835	S	S	*	*			trans	-83.1	120.5	162.8	-71.9	-176	144	0	0	109.3	N20	N20-E22 PolarHBondContact O-N 3.12Å
23	L	31	Very low	29.5	Very low	174 Å²	174	141.6 Å²	141.6	91%	0.911	84%	0.839	S	S	*	*			trans	-102.6	107.3	162.9	-82.4	166.4	0	0	0	109.3
24	S	28.4	Very low	29.3	Very low	122 Å²	122	139 Å²	139	85%	0.853	84%	0.836	S	S	*	*			trans	-73.9	134.6	170.1	59.1	0	0	0	0	111.9
25	G	28.5	Very low	29.5	Very low	82 Å²	82	139.4 Å²	139.4	85%	0.845	84%	0.838	S	S	*	*			trans	-166.5	113.2	164.1	0	0	0	0	0	110.7
26	G	27.7	Very low	29.4	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	83%	0.833	S	S	*	*			trans	-94.6	164.6	-165	0	0	0	0	0	118
27	H	28.6	Very low	30.1	Very low	194 Å²	194	132.7 Å²	132.7	90%	0.898	84%	0.838	S	S	*	*			trans	59.7	114.2	143.9	-77.7	71	0	0	0	121.7
28	A	29.6	Very low	30.4	Very low	106 Å²	106	131.4 Å²	131.4	88%	0.876	84%	0.836	S	S	*	*				141.9	134.3	106.5	0	0	0	0	0	112.9
29	G	27.5	Very low	30.7	Very low	82 Å²	82	133.8 Å²	133.8	85%	0.845	85%	0.846	S	S	*	*			trans	146.2	98.2	161	0	0	0	0	0	115.5
30	A	31.4	Very low	31	Very low	114 Å²	114	129.3 Å²	129.3	94%	0.942	85%	0.849	S	S	*	*			trans	-68.3	144.8	168.5	0	0	0	0	0	112.1
31	G	27	Very low	31.5	Very low	76 Å²	76	126.7 Å²	126.7	78%	0.784	85%	0.847	S	S	*	*			trans	177.2	98.8	171.8	0	0	0	0	0	115.7
32	S	27.6	Very low	32	Very low	117 Å²	117	121 Å²	121	82%	0.818	84%	0.841	S	S	*	*			trans	42.3	128.1	144.9	-163.5	0	0	0	0	122.5
33	L	35.8	Very low	32.6	Very low	176 Å²	176	119.9 Å²	119.9	92%	0.921	84%	0.84	S	S	*	*			trans	-29	131.5	154.9	-71.5	145.4	0	0	0	115.4
34	G	28.6	Very low	33.3	Very low	70 Å²	70	116.7 Å²	116.7	72%	0.722	83%	0.83	S	S	*	*			trans	-159.1	100.6	162.6	0	0	0	0	0	109.8	S36	G34-S36 PolarHBondContact O-N 2.96Å
35	K	36	Very low	34.3	Very low	214 Å²	214	115.4 Å²	115.4	93%	0.93	82%	0.819	S	S	*	*			trans	-63.5	126.8	169.2	-79.3	177.2	174.2	177.9	0	108.6
36	S	28.6	Very low	35.2	Very low	109 Å²	109	115 Å²	115	76%	0.762	80%	0.801	S	S	*	*			trans	-143.6	117.8	158.8	-78.9	0	0	0	0	108.9	G34	G34-S36 PolarHBondContact O-N 2.96Å
37	A	41.9	Very low	36.4	Very low	107 Å²	107	115.4 Å²	115.4	88%	0.884	79%	0.791	S	S	*	*			trans	-63.8	128.6	171.4	0	0	0	0	0	109
38	V	34.3	Very low	37.7	Very low	135 Å²	135	110.2 Å²	110.2	82%	0.818	78%	0.781	S	S	*	*			trans	-131.5	123.5	169.1	-163.8	0	0	0	0	108
39	N	34.9	Very low	38.9	Very low	149 Å²	149	110.2 Å²	110.2	80%	0.797	78%	0.775	S	S	*	*			trans	-51	142.7	-179.3	-67.8	-38.6	0	0	0	112.4	A41	N39-A41 PolarHBondContact O-N 3.45Å
40	G	35.3	Very low	40.1	Very low	91 Å²	91	112.5 Å²	112.5	94%	0.938	77%	0.767	S	S	*	*			trans	-67.9	74.1	174.2	0	0	0	0	0	112.8
41	A	40.1	Very low	41.4	Very low	90 Å²	90	113.4 Å²	113.4	74%	0.744	75%	0.746	S	S	*	*			trans	-93.2	107.7	157.2	0	0	0	0	0	107.1	N39	N39-A41 PolarHBondContact O-N 3.45Å
42	G	41.6	Very low	43.2	Very low	74 Å²	74	115.1 Å²	115.1	76%	0.763	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-54.1	143.4	171.4	0	0	0	0	0	110.5
43	L	39.7	Very low	45.7	Very low	165 Å²	165	116.9 Å²	116.9	86%	0.864	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-53	142.5	177.7	-71.8	164	0	0	0	110.4
44	P	46.1	Very low	48.1	Very low	108 Å²	108	111 Å²	111	70%	0.701	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-57.4	141.1	174.6	23.5	-31.8	0	0	0	109.8
45	P	49.7	Very low	51.2	Low	95 Å²	95	109.8 Å²	109.8	62%	0.617	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-61.5	139.9	-177.1	25.1	-33.4	0	0	0	109.9
46	P	47.2	Very low	54	Low	72 Å²	72	99.7 Å²	99.7	47%	0.468	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-58.3	154.9	-177.2	20.2	-30.3	0	0	0	111.8	R51	P46-R51 HydrophobicContact CG-CG 4.47Å; P46-R51 PolarHBondContact O-NE 2.79Å; P46-R51 PolarHBondContact O-NH2 2.81Å; P46-R51 VanDerWaalsContact O-NH2 3.16Å
47	P	52.9	Low	57.3	Low	80 Å²	80	98.5 Å²	98.5	52%	0.519	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-48.2	141.6	175.6	-24.5	31.1	0	0	0	111.3	S49 L50	P47-S49 PolarHBondContact O-N 3.24Å; P47-L50 HydrophobicContact CG-CD1 4.37Å; P47-L50 PolarHBondContact O-N 2.8Å
48	A	55.8	Low	60	Low	84 Å²	84	93.4 Å²	93.4	69%	0.694	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-53.9	-25.6	-176.1	0	0	0	0	0	113.7	L50	A48-L50 VanDerWaalsContact C-N 3.31Å; A48-L50 PolarHBondContact O-N 2.91Å
49	S	54.5	Low	63	Low	106 Å²	106	89.3 Å²	89.3	74%	0.741	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-72.3	-14.2	177.5	56.9	0	0	0	0	115.3	P47	P47-S49 PolarHBondContact O-N 3.24Å
50	L	53.6	Low	66	Low	130 Å²	130	82.9 Å²	82.9	68%	0.681	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-109.6	-0.9	-178.3	-69.4	171	0	0	0	113.1	P47 A48	P47-L50 HydrophobicContact CG-CD1 4.37Å; P47-L50 PolarHBondContact O-N 2.8Å; A48-L50 VanDerWaalsContact C-N 3.31Å; A48-L50 PolarHBondContact O-N 2.91Å
51	R	59.3	Low	69	Low	133 Å²	133	78.9 Å²	78.9	50%	0.502	48%	0.476	S	S	.	.	S	Bend	trans	-78.3	134.2	178.4	-62.4	-175.7	-165.3	175.3	4.2	109.5	P46 K53	P46-R51 HydrophobicContact CG-CG 4.47Å; P46-R51 PolarHBondContact O-NE 2.79Å; P46-R51 PolarHBondContact O-NH2 2.81Å; P46-R51 VanDerWaalsContact O-NH2 3.16Å; R51-K53 PolarHBondContact O-N 2.94Å
52	P	63.2	Low	71.6	Confident	112 Å²	112	76.7 Å²	76.7	73%	0.727	45%	0.45	S	S	*	.			trans	-53	129.2	170.6	-22.3	31.6	0	0	0	109.7	L54	P52-L54 PolarHBondContact O-N 3.32Å
53	K	80.5	Confident	74.2	Confident	155 Å²	155	75.4 Å²	75.4	67%	0.674	44%	0.437	S	S	*	.			trans	-68.5	115.1	174	-72	179.9	164.1	-150	0	108.5	R51 V55 E70	R51-K53 PolarHBondContact O-N 2.94Å; K53-V55 HydrophobicContact CB-CG2 4.4Å; K53-V55 PolarHBondContact O-N 2.82Å; K53-E70 IonicContact NZ-OE1 3.55Å; K53-E70 PolarHBondContact NZ-OE1 2.76Å
54	L	87.4	Confident	76.9	Confident	52 Å²	52	68.9 Å²	68.9	27%	0.272	41%	0.405	S	S	.	.			trans	-76.8	108.2	172.4	-57.3	180	0	0	0	108.2	P52 F56 E70 L115 L239 V249	P52-L54 PolarHBondContact O-N 3.32Å; L54-F56 HydrophobicContact CB-CE2 3.76Å; L54-F56 HydrophobicContact CB-CZ 4.29Å; L54-E70 WeakPolarHBondContact O-CB 3.33Å; L54-L115 HydrophobicContact CD1-CD2 4.27Å; L54-L115 HydrophobicContact CD2-CD2 3.87Å; L54-L239 HydrophobicContact CD1-CD1 3.91Å; L54-L239 HydrophobicContact CD1-CD2 4.48Å; L54-V249 HydrophobicContact CD1-CG2 3.65Å
55	V	92.6	Very high	79.3	Confident	44 Å²	44	69 Å²	69	27%	0.267	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.3	179.6	-175.9	0	0	0	0	108.7	K53 R68 E70	K53-V55 HydrophobicContact CB-CG2 4.4Å; K53-V55 PolarHBondContact O-N 2.82Å; V55-R68 HydrophobicContact CG1-CB 4.4Å; V55-E70 HydrophobicContact CG2-CB 4.34Å; V55-E70 WeakPolarHBondContact CG2-OE2 3.13Å
56	F	95.6	Very high	81.6	Confident	3 Å²	3	68 Å²	68	1%	0.013	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	153.8	176.2	-60.9	-91.8	0	0	0	110.4	L54 R68 I69 F72 I113 G114 L115 I119 L239	L54-F56 HydrophobicContact CB-CE2 3.76Å; L54-F56 HydrophobicContact CB-CZ 4.29Å; F56-R68 WeakPolarHBondContact O-CA 3.43Å; F56-I69 HydrophobicContact CB-CG1 4.02Å; F56-I69 PolarHBondContact N-O 3.41Å; F56-I69 PolarHBondContact O-N 2.91Å; F56-F72 AromaticContact CD2-CE1 3.7Å; F56-F72 HydrophobicContact CD2-CE1 3.7Å; F56-F72 AromaticContact CD2-CZ 3.44Å; F56-F72 HydrophobicContact CD2-CZ 3.44Å; F56-F72 VanDerWaalsContact CD2-CZ 3.44Å; F56-F72 HydrophobicContact CE2-CE1 4.18Å; F56-F72 HydrophobicContact CE2-CE2 4.46Å; F56-F72 AromaticContact CE2-CZ 3.61Å; F56-F72 HydrophobicContact CE2-CZ 3.61Å; F56-F72 HydrophobicContact CG-CZ 4.19Å; F56-F72 HydrophobicContact CZ-CZ 4.48Å; F56-I113 HydrophobicContact CD1-CG2 3.71Å; F56-I113 HydrophobicContact CE1-CB 4.18Å; F56-I113 HydrophobicContact CE1-CG2 3.43Å; F56-I113 VanDerWaalsContact CE1-CG2 3.43Å; F56-I113 HydrophobicContact CZ-CG2 4.25Å; F56-G114 WeakPolarHBondContact CE1-O 3.17Å; F56-L115 HydrophobicContact CZ-CD2 4.33Å; F56-I119 HydrophobicContact CB-CD1 3.93Å; F56-I119 HydrophobicContact CD1-CD1 4.42Å; F56-I119 HydrophobicContact CG-CD1 4.27Å; F56-L239 HydrophobicContact CE2-CD2 3.73Å; F56-L239 HydrophobicContact CZ-CB 4.05Å; F56-L239 HydrophobicContact CZ-CD2 3.72Å
57	H	96.8	Very high	84	Confident	84 Å²	84	65 Å²	65	39%	0.389	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.7	174.6	-62.6	89.3	0	0	0	109.6	T66 G67 F118 I119	H57-T66 HydrophobicContact CB-CG2 4.05Å; H57-G67 WeakPolarHBondContact CA-O 3.35Å; H57-F118 HydrophobicContact CB-CD2 3.71Å; H57-F118 HydrophobicContact CB-CE2 3.54Å; H57-F118 HydrophobicContact CB-CG 4.41Å; H57-F118 HydrophobicContact CB-CZ 4.11Å; H57-I119 PolarHBondContact O-N 2.93Å
58	T	98.3	Very high	86.1	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.8	-178.2	-175.9	0	0	0	0	113	G67 I69 I82 F86 I119	T58-G67 PolarHBondContact N-O 2.7Å; T58-G67 PolarHBondContact O-N 2.98Å; T58-I69 HydrophobicContact CG2-CD1 4.11Å; T58-I69 HydrophobicContact CG2-CG1 4.29Å; T58-I69 HydrophobicContact CG2-CG2 3.88Å; T58-I82 HydrophobicContact CG2-CG1 4.4Å; T58-F86 HydrophobicContact CG2-CE2 3.67Å; T58-F86 HydrophobicContact CG2-CZ 4.06Å; T58-F86 WeakPolarHBondContact O-CZ 3.24Å; T58-I119 CarbonylContact C-O 3.41Å; T58-I119 WeakPolarHBondContact CA-O 3.14Å; T58-I119 WeakPolarHBondContact CB-O 3.46Å; T58-I119 PolarHBondContact OG1-O 3.34Å
59	Q	98.4	Very high	88	Confident	49 Å²	49	65.9 Å²	65.9	23%	0.229	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.9	168.9	-79	178.2	-2	0	0	109.8	T66 F118 I119 F120 A121	Q59-T66 PolarHBondContact NE2-OG1 2.89Å; Q59-F118 HydrophobicContact CB-CE1 3.9Å; Q59-F118 HydrophobicContact CB-CZ 4.47Å; Q59-F118 HydrophobicContact CG-CE1 3.73Å; Q59-F118 HydrophobicContact CG-CZ 3.79Å; Q59-I119 PolarHBondContact N-O 3.16Å; Q59-F120 HydrophobicContact CB-CD1 4.02Å; Q59-F120 HydrophobicContact CB-CE1 4.03Å; Q59-F120 CarbonylContact O-C 3.59Å; Q59-F120 VanDerWaalsContact O-CA 3.29Å; Q59-F120 WeakPolarHBondContact O-CA 2.99Å; Q59-A121 PolarHBondContact O-N 2.91Å
60	L	98.3	Very high	90	Very high	14 Å²	14	64.4 Å²	64.4	7%	0.073	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.8	159.7	-51.5	-177.8	0	0	0	109.5	H62 G63 S64 F86 I88 A121 I123	L60-H62 PolarHBondContact O-N 2.81Å; L60-G63 PolarHBondContact O-N 2.9Å; L60-S64 PolarHBondContact N-OG 2.99Å; L60-F86 HydrophobicContact CD1-CB 4.18Å; L60-F86 HydrophobicContact CD1-CD1 4.3Å; L60-F86 HydrophobicContact CD1-CG 4.14Å; L60-F86 HydrophobicContact CD2-CB 4.2Å; L60-F86 HydrophobicContact CD2-CD1 4.49Å; L60-F86 HydrophobicContact CD2-CD2 3.53Å; L60-F86 HydrophobicContact CD2-CE2 4.02Å; L60-F86 HydrophobicContact CD2-CG 3.82Å; L60-F86 HydrophobicContact CG-CB 4.36Å; L60-F86 HydrophobicContact CG-CD1 4.04Å; L60-F86 HydrophobicContact CG-CD2 3.96Å; L60-F86 HydrophobicContact CG-CE1 4.36Å; L60-F86 HydrophobicContact CG-CE2 4.27Å; L60-F86 HydrophobicContact CG-CG 3.84Å; L60-F86 HydrophobicContact CG-CZ 4.48Å; L60-I88 HydrophobicContact CD2-CD1 3.96Å; L60-A121 CarbonylContact C-O 3.1Å; L60-A121 WeakPolarHBondContact CA-O 3.44Å; L60-A121 HydrophobicContact CD2-CB 4.21Å; L60-I123 HydrophobicContact CD2-CG2 4.07Å
61	A	97.5	Very high	91.8	Very high	7 Å²	7	61.3 Å²	61.3	6%	0.058	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.2	-173.1	0	0	0	0	0	113.8	G63 F120 A121 H122	A61-G63 VanDerWaalsContact C-N 3.25Å; A61-G63 PolarHBondContact O-N 3.06Å; A61-F120 HydrophobicContact CB-CB 4.45Å; A61-A121 WeakPolarHBondContact CB-O 3.49Å; A61-A121 PolarHBondContact N-O 2.96Å; A61-H122 VanDerWaalsContact CB-CE1 3.46Å; A61-H122 WeakPolarHBondContact CB-CE1 3.26Å; A61-H122 WeakPolarHBondContact CB-ND1 3.42Å
62	H	95.7	Very high	93.4	Very high	43 Å²	43	55.6 Å²	55.6	20%	0.199	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4	175.8	67	-88.5	0	0	0	113.9	L60 I123 M211 A213	L60-H62 PolarHBondContact O-N 2.81Å; H62-I123 WeakPolarHBondContact CE1-CD1 3.41Å; H62-M211 HydrophobicContact CB-CB 4.16Å; H62-M211 HydrophobicContact CB-CG 3.8Å; H62-M211 HydrophobicContact CB-SD 4.26Å; H62-A213 WeakPolarHBondContact O-CA 3.29Å
63	G	95.3	Very high	94.6	Very high	48 Å²	48	53.2 Å²	53.2	50%	0.495	30%	0.3	S	S	.	.			trans	115.2	122.5	179.4	0	0	0	0	0	112.8	L60 A61	L60-G63 PolarHBondContact O-N 2.9Å; A61-G63 VanDerWaalsContact C-N 3.25Å; A61-G63 PolarHBondContact O-N 3.06Å
64	S	96.5	Very high	95	Very high	27 Å²	27	48 Å²	48	19%	0.189	28%	0.28	C	S	.	.			trans	-161.9	165.5	172.6	57.8	0	0	0	0	109.6	L60 F86	L60-S64 PolarHBondContact N-OG 2.99Å; S64-F86 WeakPolarHBondContact OG-CE1 3.45Å
65	P	97.1	Very high	95.2	Very high	110 Å²	110	46.9 Å²	46.9	71%	0.714	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-57.8	159.2	164.3	-22.3	34.5	0	0	0	111.9	G67 F86	P65-G67 PolarHBondContact O-N 2.83Å; P65-F86 VanDerWaalsContact O-CE1 3.3Å; P65-F86 WeakPolarHBondContact O-CE1 3.24Å
66	T	97.9	Very high	95.2	Very high	74 Å²	74	52.5 Å²	52.5	45%	0.454	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-72.8	122.6	175.5	-57.7	0	0	0	0	111.3	H57 Q59 F118	H57-T66 HydrophobicContact CB-CG2 4.05Å; Q59-T66 PolarHBondContact NE2-OG1 2.89Å; T66-F118 HydrophobicContact CG2-CE2 3.96Å; T66-F118 HydrophobicContact CG2-CZ 3.71Å
67	G	96.9	Very high	95.2	Very high	11 Å²	11	56 Å²	56	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	161.2	167.8	0	0	0	0	0	112.2	H57 T58 P65	H57-G67 WeakPolarHBondContact CA-O 3.35Å; T58-G67 PolarHBondContact N-O 2.7Å; T58-G67 PolarHBondContact O-N 2.98Å; P65-G67 PolarHBondContact O-N 2.83Å
68	R	96.9	Very high	95.2	Very high	176 Å²	176	52 Å²	52	66%	0.664	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.6	173.3	-67	176.1	67.6	-155.1	-0.3	108.5	V55 F56	V55-R68 HydrophobicContact CG1-CB 4.4Å; F56-R68 WeakPolarHBondContact O-CA 3.43Å
69	I	96.6	Very high	95.1	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.2	-177.2	60.3	176.7	0	0	0	110.6	F56 T58 F72 L78 K81 I82 A85 I119	F56-I69 HydrophobicContact CB-CG1 4.02Å; F56-I69 PolarHBondContact N-O 3.41Å; F56-I69 PolarHBondContact O-N 2.91Å; T58-I69 HydrophobicContact CG2-CD1 4.11Å; T58-I69 HydrophobicContact CG2-CG1 4.29Å; T58-I69 HydrophobicContact CG2-CG2 3.88Å; I69-F72 HydrophobicContact CD1-CE1 4.15Å; I69-F72 HydrophobicContact CG1-CE1 4.19Å; I69-L78 HydrophobicContact CD1-CD1 3.55Å; I69-K81 HydrophobicContact CB-CB 4.14Å; I69-K81 HydrophobicContact CG2-CB 4.16Å; I69-K81 WeakPolarHBondContact CG2-O 3.46Å; I69-I82 HydrophobicContact CD1-CD1 4.29Å; I69-I82 HydrophobicContact CD1-CG1 3.61Å; I69-A85 HydrophobicContact CG2-CB 3.95Å; I69-I119 HydrophobicContact CD1-CD1 4.18Å
70	E	94.8	Very high	95.1	Very high	74 Å²	74	52.1 Å²	52.1	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	165.5	177.7	65.5	176.7	-148.3	0	0	110.4	K53 L54 V55 K81	K53-E70 IonicContact NZ-OE1 3.55Å; K53-E70 PolarHBondContact NZ-OE1 2.76Å; L54-E70 WeakPolarHBondContact O-CB 3.33Å; V55-E70 HydrophobicContact CG2-CB 4.34Å; V55-E70 WeakPolarHBondContact CG2-OE2 3.13Å; E70-K81 WeakPolarHBondContact O-CD 3.13Å
71	G	91.3	Very high	95.1	Very high	66 Å²	66	54.7 Å²	54.7	68%	0.68	31%	0.312	S	S	*	.			trans	75.8	36.1	166.9	0	0	0	0	0	115.6
72	F	93.2	Very high	95.1	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.057	31%	0.309	C	S	.	.			trans	-111.1	146.4	171.1	56.5	-91.6	0	0	0	110.9	F56 I69 E77 L78 K81 I113 L239 L241	F56-F72 AromaticContact CD2-CE1 3.7Å; F56-F72 HydrophobicContact CD2-CE1 3.7Å; F56-F72 AromaticContact CD2-CZ 3.44Å; F56-F72 HydrophobicContact CD2-CZ 3.44Å; F56-F72 VanDerWaalsContact CD2-CZ 3.44Å; F56-F72 HydrophobicContact CE2-CE1 4.18Å; F56-F72 HydrophobicContact CE2-CE2 4.46Å; F56-F72 AromaticContact CE2-CZ 3.61Å; F56-F72 HydrophobicContact CE2-CZ 3.61Å; F56-F72 HydrophobicContact CG-CZ 4.19Å; F56-F72 HydrophobicContact CZ-CZ 4.48Å; I69-F72 HydrophobicContact CD1-CE1 4.15Å; I69-F72 HydrophobicContact CG1-CE1 4.19Å; F72-E77 HydrophobicContact CB-CB 3.7Å; F72-L78 HydrophobicContact CB-CB 4.38Å; F72-L78 HydrophobicContact CD1-CD1 4.07Å; F72-L78 HydrophobicContact CD2-CB 3.86Å; F72-L78 HydrophobicContact CD2-CD1 4.16Å; F72-L78 HydrophobicContact CE1-CD1 3.81Å; F72-L78 HydrophobicContact CE2-CB 4.31Å; F72-L78 HydrophobicContact CE2-CD1 3.9Å; F72-L78 HydrophobicContact CG-CB 4.04Å; F72-L78 HydrophobicContact CG-CD1 4.25Å; F72-L78 HydrophobicContact CZ-CD1 3.72Å; F72-K81 HydrophobicContact CB-CG 4.46Å; F72-I113 HydrophobicContact CE2-CD1 4.11Å; F72-I113 HydrophobicContact CZ-CD1 4.4Å; F72-L239 HydrophobicContact CD2-CD2 4.36Å; F72-L239 HydrophobicContact CE2-CD2 3.56Å; F72-L239 HydrophobicContact CZ-CD2 4.03Å; F72-L241 HydrophobicContact CD2-CD2 4.25Å; F72-L241 HydrophobicContact CE2-CD2 4.29Å
73	T	88.6	Confident	95.2	Very high	62 Å²	62	52.5 Å²	52.5	38%	0.38	30%	0.3	S	S	.	.	S	Bend	trans	-120	-4.5	-177.7	64.4	0	0	0	0	113.5	E77 A247	T73-E77 PolarHBondContact N-OE2 2.85Å; T73-E77 PolarHBondContact OG1-OE1 3.5Å; T73-E77 PolarHBondContact OG1-OE2 3.35Å; T73-A247 VanDerWaalsContact O-CB 3.28Å; T73-A247 WeakPolarHBondContact O-CB 3.27Å; T73-A247 PolarHBondContact O-N 3.41Å
74	N	90.4	Very high	95.4	Very high	46 Å²	46	56.5 Å²	56.5	25%	0.246	31%	0.306	C	S	.	.	S	Bend	trans	-156.9	169.4	179.5	56.4	69.7	0	0	0	109.6	K76 E77 L78	N74-K76 VanDerWaalsContact C-N 3.29Å; N74-K76 PolarHBondContact O-N 3.35Å; N74-K76 WeakPolarHBondContact OD1-CB 3.34Å; N74-K76 PolarHBondContact OD1-N 2.76Å; N74-E77 PolarHBondContact ND2-OE1 2.79Å; N74-E77 PolarHBondContact O-N 3.07Å; N74-E77 PolarHBondContact OD1-N 2.79Å; N74-L78 PolarHBondContact O-N 2.89Å
75	V	91.5	Very high	95.4	Very high	28 Å²	28	57.4 Å²	57.4	17%	0.17	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-33.1	-176.4	179.1	0	0	0	0	112.4	L78 Y79 N146 L241	V75-L78 WeakPolarHBondContact O-CB 3.3Å; V75-L78 PolarHBondContact O-N 2.85Å; V75-Y79 HydrophobicContact CG1-CD2 4.04Å; V75-Y79 HydrophobicContact CG1-CE1 3.96Å; V75-Y79 HydrophobicContact CG1-CE2 3.4Å; V75-Y79 VanDerWaalsContact CG1-CE2 3.4Å; V75-Y79 WeakPolarHBondContact CG1-OH 3.3Å; V75-Y79 PolarHBondContact O-N 3.04Å; V75-N146 VanDerWaalsContact CG1-O 3.3Å; V75-N146 WeakPolarHBondContact CG1-O 3.24Å; V75-L241 HydrophobicContact CG2-CB 4.34Å; V75-L241 HydrophobicContact CG2-CD1 3.87Å
76	K	92.5	Very high	95.5	Very high	162 Å²	162	53.9 Å²	53.9	70%	0.704	29%	0.289	S	S	*	.	H	α-helix	trans	-65.7	-44.4	177.6	-176.8	-178.3	179.2	-179	0	111.6	N74 Y79 A80	N74-K76 VanDerWaalsContact C-N 3.29Å; N74-K76 PolarHBondContact O-N 3.35Å; N74-K76 WeakPolarHBondContact OD1-CB 3.34Å; N74-K76 PolarHBondContact OD1-N 2.76Å; K76-Y79 PolarHBondContact O-N 2.9Å; K76-A80 PolarHBondContact O-N 2.86Å
77	E	94.9	Very high	95.5	Very high	75 Å²	75	57.7 Å²	57.7	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-37.6	173.7	-75.6	169.5	-158.1	0	0	112	F72 T73 N74 A80 K81	F72-E77 HydrophobicContact CB-CB 3.7Å; T73-E77 PolarHBondContact N-OE2 2.85Å; T73-E77 PolarHBondContact OG1-OE1 3.5Å; T73-E77 PolarHBondContact OG1-OE2 3.35Å; N74-E77 PolarHBondContact ND2-OE1 2.79Å; N74-E77 PolarHBondContact O-N 3.07Å; N74-E77 PolarHBondContact OD1-N 2.79Å; E77-A80 WeakPolarHBondContact O-CB 3.46Å; E77-A80 PolarHBondContact O-N 3.2Å; E77-K81 WeakPolarHBondContact O-CG 3.42Å; E77-K81 PolarHBondContact O-N 2.86Å
78	L	95.9	Very high	95.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-51.2	173.2	170.5	63.3	0	0	0	110.8	I69 F72 N74 V75 A80 K81 I82 L109 I113 I119 L241	I69-L78 HydrophobicContact CD1-CD1 3.55Å; F72-L78 HydrophobicContact CB-CB 4.38Å; F72-L78 HydrophobicContact CD1-CD1 4.07Å; F72-L78 HydrophobicContact CD2-CB 3.86Å; F72-L78 HydrophobicContact CD2-CD1 4.16Å; F72-L78 HydrophobicContact CE1-CD1 3.81Å; F72-L78 HydrophobicContact CE2-CB 4.31Å; F72-L78 HydrophobicContact CE2-CD1 3.9Å; F72-L78 HydrophobicContact CG-CB 4.04Å; F72-L78 HydrophobicContact CG-CD1 4.25Å; F72-L78 HydrophobicContact CZ-CD1 3.72Å; N74-L78 PolarHBondContact O-N 2.89Å; V75-L78 WeakPolarHBondContact O-CB 3.3Å; V75-L78 PolarHBondContact O-N 2.85Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 2.73Å; L78-K81 PolarHBondContact O-N 3.11Å; L78-K81 VanDerWaalsContact O-N 3.15Å; L78-I82 HydrophobicContact CD1-CD1 3.85Å; L78-I82 HydrophobicContact CD1-CG1 4.22Å; L78-I82 HydrophobicContact CG-CD1 3.95Å; L78-I82 WeakPolarHBondContact O-CG1 3.15Å; L78-I82 PolarHBondContact O-N 3.15Å; L78-L109 HydrophobicContact CD2-CD2 3.54Å; L78-I113 HydrophobicContact CD2-CD1 4.08Å; L78-I119 HydrophobicContact CD1-CD1 4.05Å; L78-L241 HydrophobicContact CD2-CD1 4.25Å
79	Y	97.3	Very high	95.5	Very high	10 Å²	10	53.8 Å²	53.8	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-37	177.1	-63.9	-23.9	0	0	0	112.4	V75 K76 K81 I82 A83 I93 C96 N146 A148	V75-Y79 HydrophobicContact CG1-CD2 4.04Å; V75-Y79 HydrophobicContact CG1-CE1 3.96Å; V75-Y79 HydrophobicContact CG1-CE2 3.4Å; V75-Y79 VanDerWaalsContact CG1-CE2 3.4Å; V75-Y79 WeakPolarHBondContact CG1-OH 3.3Å; V75-Y79 PolarHBondContact O-N 3.04Å; K76-Y79 PolarHBondContact O-N 2.9Å; Y79-K81 VanDerWaalsContact C-N 3.34Å; Y79-K81 PolarHBondContact O-N 2.64Å; Y79-I82 HydrophobicContact CD1-CD1 4.41Å; Y79-I82 PolarHBondContact O-N 2.81Å; Y79-A83 WeakPolarHBondContact O-CB 3.39Å; Y79-A83 PolarHBondContact O-N 2.81Å; Y79-I93 HydrophobicContact CD1-CG2 3.86Å; Y79-I93 HydrophobicContact CE1-CG2 4.1Å; Y79-I93 HydrophobicContact CG-CG2 4.28Å; Y79-I93 WeakPolarHBondContact O-CD1 3.36Å; Y79-C96 HydrophobicContact CE1-CB 4.46Å; Y79-N146 HydrophobicContact CE2-CB 4.13Å; Y79-N146 WeakPolarHBondContact CE2-O 3.47Å; Y79-N146 WeakPolarHBondContact OH-CB 3.47Å; Y79-N146 PolarHBondContact OH-O 3.46Å; Y79-N146 VanDerWaalsContact OH-O 3.13Å; Y79-A148 HydrophobicContact CD2-CB 3.67Å; Y79-A148 HydrophobicContact CE2-CB 3.62Å
80	A	97.8	Very high	95.5	Very high	43 Å²	43	56.2 Å²	56.2	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-41.8	173.6	0	0	0	0	0	112.1	K76 E77 L78 A83 E84	K76-A80 PolarHBondContact O-N 2.86Å; E77-A80 WeakPolarHBondContact O-CB 3.46Å; E77-A80 PolarHBondContact O-N 3.2Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 2.73Å; A80-A83 PolarHBondContact O-N 2.83Å; A80-E84 WeakPolarHBondContact O-CB 3.49Å; A80-E84 PolarHBondContact O-N 3.24Å
81	K	98.1	Very high	95.6	Very high	68 Å²	68	55.8 Å²	55.8	30%	0.296	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-38.9	178.6	-71.9	-72.3	159.1	-156.4	0	113.1	I69 E70 F72 E77 L78 Y79 E84 A85	I69-K81 HydrophobicContact CB-CB 4.14Å; I69-K81 HydrophobicContact CG2-CB 4.16Å; I69-K81 WeakPolarHBondContact CG2-O 3.46Å; E70-K81 WeakPolarHBondContact O-CD 3.13Å; F72-K81 HydrophobicContact CB-CG 4.46Å; E77-K81 WeakPolarHBondContact O-CG 3.42Å; E77-K81 PolarHBondContact O-N 2.86Å; L78-K81 PolarHBondContact O-N 3.11Å; L78-K81 VanDerWaalsContact O-N 3.15Å; Y79-K81 VanDerWaalsContact C-N 3.34Å; Y79-K81 PolarHBondContact O-N 2.64Å; K81-E84 IonicContact NZ-OE2 2.98Å; K81-E84 PolarHBondContact NZ-OE2 2.76Å; K81-A85 WeakPolarHBondContact O-CB 3.33Å; K81-A85 PolarHBondContact O-N 2.94Å
82	I	98.3	Very high	95.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-47.1	172.5	-67	168.3	0	0	0	109.9	T58 I69 L78 Y79 E84 A85 F86 I93 I119 A121	T58-I82 HydrophobicContact CG2-CG1 4.4Å; I69-I82 HydrophobicContact CD1-CD1 4.29Å; I69-I82 HydrophobicContact CD1-CG1 3.61Å; L78-I82 HydrophobicContact CD1-CD1 3.85Å; L78-I82 HydrophobicContact CD1-CG1 4.22Å; L78-I82 HydrophobicContact CG-CD1 3.95Å; L78-I82 WeakPolarHBondContact O-CG1 3.15Å; L78-I82 PolarHBondContact O-N 3.15Å; Y79-I82 HydrophobicContact CD1-CD1 4.41Å; Y79-I82 PolarHBondContact O-N 2.81Å; I82-E84 VanDerWaalsContact C-N 3.34Å; I82-E84 PolarHBondContact O-N 2.89Å; I82-A85 PolarHBondContact O-N 2.8Å; I82-A85 VanDerWaalsContact O-N 3.15Å; I82-F86 HydrophobicContact CG2-CD2 3.88Å; I82-F86 HydrophobicContact CG2-CE2 4.1Å; I82-F86 VanDerWaalsContact O-CD2 3.25Å; I82-F86 WeakPolarHBondContact O-CD2 3.39Å; I82-F86 PolarHBondContact O-N 3.36Å; I82-F86 VanDerWaalsContact O-N 3.16Å; I82-I93 HydrophobicContact CB-CD1 3.87Å; I82-I93 HydrophobicContact CG2-CD1 3.64Å; I82-I119 HydrophobicContact CD1-CG2 4.06Å; I82-A121 HydrophobicContact CD1-CB 4.44Å; I82-A121 HydrophobicContact CG2-CB 3.7Å
83	A	98.1	Very high	96.1	Very high	3 Å²	3	55 Å²	55	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-42.9	-179.4	0	0	0	0	0	112.2	Y79 A80 F86 N87 I88 P90 I93	Y79-A83 WeakPolarHBondContact O-CB 3.39Å; Y79-A83 PolarHBondContact O-N 2.81Å; A80-A83 PolarHBondContact O-N 2.83Å; A83-F86 PolarHBondContact O-N 3.19Å; A83-N87 WeakPolarHBondContact O-CA 3.06Å; A83-N87 PolarHBondContact O-N 3.25Å; A83-I88 HydrophobicContact CB-CG1 4.09Å; A83-I88 WeakPolarHBondContact CB-O 3.4Å; A83-I88 PolarHBondContact O-N 2.82Å; A83-P90 HydrophobicContact CB-CB 4.18Å; A83-P90 HydrophobicContact CB-CG 3.77Å; A83-I93 HydrophobicContact CB-CD1 4.12Å
84	E	98.2	Very high	96.5	Very high	133 Å²	133	52.1 Å²	52.1	62%	0.621	28%	0.283	S	S	*	.	H	α-helix	trans	-58	-46.8	172.4	-177.4	-179.5	-172	0	0	111.6	A80 K81 I82 F86 N87	A80-E84 WeakPolarHBondContact O-CB 3.49Å; A80-E84 PolarHBondContact O-N 3.24Å; K81-E84 IonicContact NZ-OE2 2.98Å; K81-E84 PolarHBondContact NZ-OE2 2.76Å; I82-E84 VanDerWaalsContact C-N 3.34Å; I82-E84 PolarHBondContact O-N 2.89Å; E84-F86 PolarHBondContact O-N 3.3Å; E84-N87 PolarHBondContact O-N 3.42Å
85	A	98.1	Very high	96.9	Very high	45 Å²	45	50 Å²	50	37%	0.372	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-27	-178.6	0	0	0	0	0	113.9	I69 K81 I82	I69-A85 HydrophobicContact CG2-CB 3.95Å; K81-A85 WeakPolarHBondContact O-CB 3.33Å; K81-A85 PolarHBondContact O-N 2.94Å; I82-A85 PolarHBondContact O-N 2.8Å; I82-A85 VanDerWaalsContact O-N 3.15Å
86	F	98.1	Very high	97.2	Very high	37 Å²	37	48.7 Å²	48.7	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-110.9	3.5	-178.2	-66.2	-65.6	0	0	0	114.5	T58 L60 S64 P65 I82 A83 E84 I88	T58-F86 HydrophobicContact CG2-CE2 3.67Å; T58-F86 HydrophobicContact CG2-CZ 4.06Å; T58-F86 WeakPolarHBondContact O-CZ 3.24Å; L60-F86 HydrophobicContact CD1-CB 4.18Å; L60-F86 HydrophobicContact CD1-CD1 4.3Å; L60-F86 HydrophobicContact CD1-CG 4.14Å; L60-F86 HydrophobicContact CD2-CB 4.2Å; L60-F86 HydrophobicContact CD2-CD1 4.49Å; L60-F86 HydrophobicContact CD2-CD2 3.53Å; L60-F86 HydrophobicContact CD2-CE2 4.02Å; L60-F86 HydrophobicContact CD2-CG 3.82Å; L60-F86 HydrophobicContact CG-CB 4.36Å; L60-F86 HydrophobicContact CG-CD1 4.04Å; L60-F86 HydrophobicContact CG-CD2 3.96Å; L60-F86 HydrophobicContact CG-CE1 4.36Å; L60-F86 HydrophobicContact CG-CE2 4.27Å; L60-F86 HydrophobicContact CG-CG 3.84Å; L60-F86 HydrophobicContact CG-CZ 4.48Å; S64-F86 WeakPolarHBondContact OG-CE1 3.45Å; P65-F86 VanDerWaalsContact O-CE1 3.3Å; P65-F86 WeakPolarHBondContact O-CE1 3.24Å; I82-F86 HydrophobicContact CG2-CD2 3.88Å; I82-F86 HydrophobicContact CG2-CE2 4.1Å; I82-F86 VanDerWaalsContact O-CD2 3.25Å; I82-F86 WeakPolarHBondContact O-CD2 3.39Å; I82-F86 PolarHBondContact O-N 3.36Å; I82-F86 VanDerWaalsContact O-N 3.16Å; A83-F86 PolarHBondContact O-N 3.19Å; E84-F86 PolarHBondContact O-N 3.3Å; F86-I88 VanDerWaalsContact C-N 3.29Å; F86-I88 HydrophobicContact CB-CD1 4.49Å; F86-I88 HydrophobicContact CB-CG1 4.27Å; F86-I88 HydrophobicContact CB-CG2 4.44Å; F86-I88 PolarHBondContact O-N 2.98Å
87	N	97.7	Very high	97.4	Very high	154 Å²	154	41 Å²	41	82%	0.824	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	45.9	-176.7	-168.6	53.3	0	0	0	112.8	A83 E84	A83-N87 WeakPolarHBondContact O-CA 3.06Å; A83-N87 PolarHBondContact O-N 3.25Å; E84-N87 PolarHBondContact O-N 3.42Å
88	I	97.8	Very high	97.5	Very high	48 Å²	48	38.2 Å²	38.2	25%	0.246	22%	0.218	C	C	.	.			trans	-119	173.3	174.3	63.2	173.4	0	0	0	110.3	L60 A83 F86 I93 I123	L60-I88 HydrophobicContact CD2-CD1 3.96Å; A83-I88 HydrophobicContact CB-CG1 4.09Å; A83-I88 WeakPolarHBondContact CB-O 3.4Å; A83-I88 PolarHBondContact O-N 2.82Å; F86-I88 VanDerWaalsContact C-N 3.29Å; F86-I88 HydrophobicContact CB-CD1 4.49Å; F86-I88 HydrophobicContact CB-CG1 4.27Å; F86-I88 HydrophobicContact CB-CG2 4.44Å; F86-I88 PolarHBondContact O-N 2.98Å; I88-I93 HydrophobicContact CD1-CD1 4.35Å; I88-I93 HydrophobicContact CD1-CG1 3.94Å; I88-I123 HydrophobicContact CD1-CG2 3.85Å
89	S	97	Very high	97.5	Very high	56 Å²	56	42.4 Å²	42.4	39%	0.392	24%	0.24	S	C	.	.			trans	-85.7	139.4	175.7	-155	0	0	0	0	110.5	P91 D92	S89-P91 VanDerWaalsContact C-CD 3.5Å; S89-P91 VanDerWaalsContact C-N 3.32Å; S89-P91 WeakPolarHBondContact OG-CD 3.21Å; S89-D92 WeakPolarHBondContact CB-OD2 3.42Å; S89-D92 PolarHBondContact N-OD2 3.46Å; S89-D92 VanDerWaalsContact N-OD2 3.07Å; S89-D92 VanDerWaalsContact O-CB 3.24Å; S89-D92 WeakPolarHBondContact O-CB 3.38Å; S89-D92 PolarHBondContact O-N 3.35Å
90	P	96.5	Very high	97.5	Very high	58 Å²	58	43.1 Å²	43.1	38%	0.377	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-54.9	-39.6	174.9	-20.1	28.1	0	0	0	113.9	A83 D92 I93	A83-P90 HydrophobicContact CB-CB 4.18Å; A83-P90 HydrophobicContact CB-CG 3.77Å; P90-D92 PolarHBondContact O-N 3.31Å; P90-D92 VanDerWaalsContact O-N 3.11Å; P90-I93 PolarHBondContact O-N 3.3Å
91	P	96.1	Very high	97.3	Very high	64 Å²	64	45.5 Å²	45.5	42%	0.416	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.4	-11.3	170.5	-27	36.8	0	0	0	116	S89 I93 K124 Y150	S89-P91 VanDerWaalsContact C-CD 3.5Å; S89-P91 VanDerWaalsContact C-N 3.32Å; S89-P91 WeakPolarHBondContact OG-CD 3.21Å; P91-I93 VanDerWaalsContact C-N 3.33Å; P91-K124 WeakPolarHBondContact O-CE 3.37Å; P91-K124 PolarHBondContact O-NZ 3.34Å; P91-K124 VanDerWaalsContact O-NZ 3.15Å; P91-Y150 WeakPolarHBondContact CA-OH 3.45Å; P91-Y150 WeakPolarHBondContact CB-OH 3.33Å; P91-Y150 VanDerWaalsContact O-CE2 3.24Å; P91-Y150 WeakPolarHBondContact O-CE2 3.35Å; P91-Y150 PolarHBondContact O-OH 3.05Å
92	D	96.9	Very high	97.2	Very high	63 Å²	63	49 Å²	49	34%	0.337	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-80.3	-19.2	174.1	-60.4	-31.5	0	0	0	111.6	S89 P90 I123 K124	S89-D92 WeakPolarHBondContact CB-OD2 3.42Å; S89-D92 PolarHBondContact N-OD2 3.46Å; S89-D92 VanDerWaalsContact N-OD2 3.07Å; S89-D92 VanDerWaalsContact O-CB 3.24Å; S89-D92 WeakPolarHBondContact O-CB 3.38Å; S89-D92 PolarHBondContact O-N 3.35Å; P90-D92 PolarHBondContact O-N 3.31Å; P90-D92 VanDerWaalsContact O-N 3.11Å; D92-I123 CarbonylContact O-C 3.45Å; D92-I123 WeakPolarHBondContact O-CA 3.13Å; D92-I123 WeakPolarHBondContact O-CB 3.31Å; D92-K124 PolarHBondContact O-N 3.26Å
93	I	98	Very high	97.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.1	177.8	-57.2	169.6	0	0	0	109.1	Y79 I82 A83 I88 P90 P91 A121 I123 Y150	Y79-I93 HydrophobicContact CD1-CG2 3.86Å; Y79-I93 HydrophobicContact CE1-CG2 4.1Å; Y79-I93 HydrophobicContact CG-CG2 4.28Å; Y79-I93 WeakPolarHBondContact O-CD1 3.36Å; I82-I93 HydrophobicContact CB-CD1 3.87Å; I82-I93 HydrophobicContact CG2-CD1 3.64Å; A83-I93 HydrophobicContact CB-CD1 4.12Å; I88-I93 HydrophobicContact CD1-CD1 4.35Å; I88-I93 HydrophobicContact CD1-CG1 3.94Å; P90-I93 PolarHBondContact O-N 3.3Å; P91-I93 VanDerWaalsContact C-N 3.33Å; I93-A121 HydrophobicContact CG2-CB 4.36Å; I93-I123 HydrophobicContact CG1-CG2 4.3Å; I93-Y150 WeakPolarHBondContact O-CD2 2.92Å; I93-Y150 WeakPolarHBondContact O-CE2 3.49Å
94	L	97.9	Very high	97	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-58.2	175.7	-67.9	-178	0	0	0	111.1	H122 K124 N146 Y150 H173 P210	L94-H122 WeakPolarHBondContact CB-O 3.41Å; L94-H122 PolarHBondContact N-O 2.93Å; L94-K124 HydrophobicContact CD1-CG 4.47Å; L94-K124 HydrophobicContact CD2-CD 4.42Å; L94-K124 HydrophobicContact CD2-CG 3.51Å; L94-K124 HydrophobicContact CG-CG 3.89Å; L94-N146 WeakPolarHBondContact O-CB 3.07Å; L94-N146 PolarHBondContact O-ND2 3.08Å; L94-Y150 HydrophobicContact CD2-CD2 4.02Å; L94-Y150 HydrophobicContact CD2-CE2 4.33Å; L94-H173 HydrophobicContact CD1-CB 4.33Å; L94-H173 HydrophobicContact CD2-CB 3.64Å; L94-P210 HydrophobicContact CD1-CB 4.24Å; L94-P210 HydrophobicContact CD1-CG 3.96Å
95	F	97.8	Very high	96.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	175	180	55.9	-95.1	0	0	0	110.5	T97 I103 M105 L108 H122 N146 F152 G171 P210	F95-T97 HydrophobicContact CD2-CG2 4.45Å; F95-T97 HydrophobicContact CE2-CG2 4.28Å; F95-I103 HydrophobicContact CZ-CG2 4.24Å; F95-M105 HydrophobicContact CZ-CE 4.19Å; F95-L108 HydrophobicContact CB-CD1 4.08Å; F95-L108 HydrophobicContact CD2-CD1 3.71Å; F95-L108 HydrophobicContact CE2-CD1 4.49Å; F95-L108 HydrophobicContact CG-CD1 4.09Å; F95-H122 HydrophobicContact CD1-CB 4.46Å; F95-H122 HydrophobicContact CD2-CB 3.97Å; F95-H122 AromaticContact CD2-CD2 3.6Å; F95-H122 AromaticContact CD2-CG 3.87Å; F95-H122 HydrophobicContact CE1-CB 4.22Å; F95-H122 HydrophobicContact CE2-CB 3.71Å; F95-H122 AromaticContact CE2-CD2 3.31Å; F95-H122 WeakPolarHBondContact CE2-CD2 3.32Å; F95-H122 AromaticContact CE2-CG 3.34Å; F95-H122 AromaticContact CE2-ND1 3.89Å; F95-H122 AromaticContact CE2-NE2 3.82Å; F95-H122 HydrophobicContact CG-CB 4.33Å; F95-H122 HydrophobicContact CZ-CB 3.83Å; F95-H122 AromaticContact CZ-CG 3.76Å; F95-H122 PolarHBondContact N-O 3.06Å; F95-H122 PolarHBondContact O-N 2.73Å; F95-N146 HydrophobicContact CB-CB 4.37Å; F95-F152 HydrophobicContact CB-CE1 3.81Å; F95-F152 HydrophobicContact CB-CE2 4.42Å; F95-F152 HydrophobicContact CB-CZ 3.7Å; F95-F152 HydrophobicContact CD1-CD1 4.14Å; F95-F152 AromaticContact CD1-CD2 3.99Å; F95-F152 HydrophobicContact CD1-CD2 3.99Å; F95-F152 HydrophobicContact CD1-CE1 4.08Å; F95-F152 AromaticContact CD1-CE2 3.9Å; F95-F152 HydrophobicContact CD1-CE2 3.9Å; F95-F152 HydrophobicContact CD1-CG 4.1Å; F95-F152 AromaticContact CD1-CZ 3.95Å; F95-F152 HydrophobicContact CD1-CZ 3.95Å; F95-F152 HydrophobicContact CE1-CD2 4.21Å; F95-F152 HydrophobicContact CE1-CE2 4.35Å; F95-F152 HydrophobicContact CG-CE1 4.22Å; F95-F152 HydrophobicContact CG-CE2 4.09Å; F95-F152 AromaticContact CG-CZ 3.87Å; F95-F152 HydrophobicContact CG-CZ 3.87Å; F95-G171 WeakPolarHBondContact CE1-O 3.36Å; F95-P210 HydrophobicContact CE1-CG 3.71Å; F95-P210 HydrophobicContact CZ-CB 4.46Å; F95-P210 HydrophobicContact CZ-CG 3.81Å
96	C	97.9	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.5	174.9	-72.7	0	0	0	0	111.8	Y79 L109 I119 F120	Y79-C96 HydrophobicContact CE1-CB 4.46Å; C96-L109 HydrophobicContact CB-CB 4.17Å; C96-L109 HydrophobicContact CB-CD2 4.17Å; C96-L109 WeakPolarHBondContact O-CB 3.41Å; C96-L109 PolarHBondContact O-N 3.18Å; C96-I119 HydrophobicContact CB-CG2 3.92Å; C96-F120 CarbonylContact C-O 3.56Å; C96-F120 VanDerWaalsContact CA-O 3.23Å; C96-F120 WeakPolarHBondContact CA-O 3.47Å
97	T	97.5	Very high	96.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.3	165.9	48.6	0	0	0	0	109.9	F95 T100 K107 F120 H122	F95-T97 HydrophobicContact CD2-CG2 4.45Å; F95-T97 HydrophobicContact CE2-CG2 4.28Å; T97-T100 PolarHBondContact OG1-O 3.41Å; T97-K107 CarbonylContact C-O 3.58Å; T97-K107 WeakPolarHBondContact CA-O 3.48Å; T97-F120 PolarHBondContact N-O 2.87Å; T97-F120 PolarHBondContact O-N 2.84Å; T97-H122 PolarHBondContact OG1-NE2 2.76Å
98	L	96.6	Very high	96.2	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.089	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.3	179.8	-58.2	178.5	0	0	0	109.9	T100 K107 L109 Q112 I113 D117 F118 I119	L98-T100 PolarHBondContact O-N 3.47Å; L98-K107 PolarHBondContact N-O 2.81Å; L98-K107 WeakPolarHBondContact O-CB 3.16Å; L98-L109 HydrophobicContact CD1-CD1 4.21Å; L98-L109 HydrophobicContact CD2-CD1 4.35Å; L98-Q112 WeakPolarHBondContact CD1-O 3.29Å; L98-I113 HydrophobicContact CD2-CG2 4.33Å; L98-D117 HydrophobicContact CD2-CB 4.45Å; L98-F118 CarbonylContact C-O 3.53Å; L98-F118 WeakPolarHBondContact CA-O 3.49Å; L98-I119 HydrophobicContact CD2-CG1 3.9Å
99	N	96.4	Very high	96	Very high	88 Å²	88	51 Å²	51	47%	0.471	26%	0.263	S	S	.	.	S	Bend	trans	62.2	10.7	175.3	-54.8	-47.5	0	0	0	116	D117 F118	N99-D117 PolarHBondContact ND2-OD1 3.14Å; N99-F118 PolarHBondContact N-O 3.05Å; N99-F118 PolarHBondContact OD1-N 3.26Å
100	T	96.1	Very high	95.4	Very high	24 Å²	24	49.3 Å²	49.3	15%	0.147	25%	0.253	C	S	.	.			trans	-148.3	136.9	175.8	-177.1	0	0	0	0	111.6	T97 L98 K102 D104 K107 F120	T97-T100 PolarHBondContact OG1-O 3.41Å; L98-T100 PolarHBondContact O-N 3.47Å; T100-K102 VanDerWaalsContact C-N 3.32Å; T100-K102 PolarHBondContact OG1-N 2.72Å; T100-D104 HydrophobicContact CG2-CB 3.88Å; T100-K107 HydrophobicContact CG2-CB 3.54Å; T100-K107 HydrophobicContact CG2-CG 3.85Å; T100-F120 VanDerWaalsContact O-CB 3.24Å; T100-F120 WeakPolarHBondContact O-CB 3.5Å; T100-F120 VanDerWaalsContact O-CD2 3.22Å; T100-F120 WeakPolarHBondContact O-CD2 3.03Å; T100-F120 VanDerWaalsContact O-CG 3.28Å; T100-F120 WeakPolarHBondContact O-CG 3.28Å
101	H	95.1	Very high	94.9	Very high	94 Å²	94	46.8 Å²	46.8	44%	0.435	24%	0.238	S	C	.	.	S	Bend	trans	-83.6	-10.9	171.9	67	-82.2	0	0	0	112.5	F120 H122	H101-F120 HydrophobicContact CB-CD1 3.53Å; H101-F120 HydrophobicContact CB-CE1 3.74Å; H101-F120 HydrophobicContact CB-CG 4.15Å; H101-H122 PolarHBondContact O-CE1 3.49Å
102	K	96	Very high	94.5	Very high	141 Å²	141	46.1 Å²	46.1	61%	0.613	23%	0.23	S	C	*	.	S	Bend	trans	-74.3	154.5	178	-61.9	-175.9	177.9	-176.9	0	109.6	T100 D104	T100-K102 VanDerWaalsContact C-N 3.32Å; T100-K102 PolarHBondContact OG1-N 2.72Å; K102-D104 PolarHBondContact O-N 2.95Å
103	I	95.5	Very high	94.2	Very high	53 Å²	53	43.1 Å²	43.1	27%	0.272	21%	0.214	S	C	.	.			trans	-73	82.4	168.5	-56.3	171	0	0	0	107.1	F95 M105 V170 P210	F95-I103 HydrophobicContact CZ-CG2 4.24Å; I103-M105 HydrophobicContact CG2-CE 3.73Å; I103-V170 HydrophobicContact CG2-CG1 4.38Å; I103-P210 HydrophobicContact CD1-CB 3.98Å; I103-P210 HydrophobicContact CD1-CG 3.96Å
104	D	95.3	Very high	93.9	Very high	53 Å²	53	43.8 Å²	43.8	28%	0.283	22%	0.221	S	C	.	.			trans	-116.2	105.6	179.2	-177.7	-10.7	0	0	0	108.5	T100 K102 E106 K107 L108	T100-D104 HydrophobicContact CG2-CB 3.88Å; K102-D104 PolarHBondContact O-N 2.95Å; D104-E106 PolarHBondContact O-N 2.92Å; D104-E106 WeakPolarHBondContact OD1-CB 3.14Å; D104-E106 PolarHBondContact OD1-N 2.83Å; D104-K107 HydrophobicContact CB-CB 4.35Å; D104-K107 CarbonylContact O-C 3.5Å; D104-K107 PolarHBondContact O-N 3.26Å; D104-L108 PolarHBondContact O-N 2.84Å
105	M	93.5	Very high	93.4	Very high	24 Å²	24	47 Å²	47	12%	0.118	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-73.9	-12.5	-175.1	-65.5	-62.2	176.5	0	0	113.4	F95 I103 K107 L108 F152 K154 V170 G171	F95-M105 HydrophobicContact CZ-CE 4.19Å; I103-M105 HydrophobicContact CG2-CE 3.73Å; M105-K107 VanDerWaalsContact C-N 3.27Å; M105-L108 WeakPolarHBondContact O-CB 3.42Å; M105-L108 HydrophobicContact SD-CD1 4.3Å; M105-L108 HydrophobicContact SD-CD2 4.33Å; M105-F152 HydrophobicContact CE-CD2 3.98Å; M105-F152 HydrophobicContact CE-CE2 3.91Å; M105-F152 HydrophobicContact SD-CE2 3.98Å; M105-K154 HydrophobicContact CB-CG 3.82Å; M105-K154 HydrophobicContact CG-CG 3.92Å; M105-K154 WeakPolarHBondContact CG-O 3.5Å; M105-K154 HydrophobicContact SD-CG 4.05Å; M105-V170 HydrophobicContact CE-CG1 3.61Å; M105-V170 HydrophobicContact CG-CG1 3.6Å; M105-V170 HydrophobicContact SD-CG1 4.47Å; M105-G171 VanDerWaalsContact CE-CA 3.42Å
106	E	91.5	Very high	92.9	Very high	178 Å²	178	54 Å²	54	83%	0.832	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-76.5	-21.5	169.7	-58.3	-172.2	166.2	0	0	111.6	D104	D104-E106 PolarHBondContact O-N 2.92Å; D104-E106 WeakPolarHBondContact OD1-CB 3.14Å; D104-E106 PolarHBondContact OD1-N 2.83Å
107	K	94.8	Very high	92.7	Very high	105 Å²	105	55.7 Å²	55.7	46%	0.457	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-104.8	13.7	175.9	-61.8	-59.3	-178.4	-170.8	0	112.7	T97 L98 T100 D104 M105	T97-K107 CarbonylContact C-O 3.58Å; T97-K107 WeakPolarHBondContact CA-O 3.48Å; L98-K107 PolarHBondContact N-O 2.81Å; L98-K107 WeakPolarHBondContact O-CB 3.16Å; T100-K107 HydrophobicContact CG2-CB 3.54Å; T100-K107 HydrophobicContact CG2-CG 3.85Å; D104-K107 HydrophobicContact CB-CB 4.35Å; D104-K107 CarbonylContact O-C 3.5Å; D104-K107 PolarHBondContact O-N 3.26Å; M105-K107 VanDerWaalsContact C-N 3.27Å
108	L	95.3	Very high	92.7	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.141	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-61.6	139.2	174.4	-174.9	69.7	0	0	0	110.1	F95 D104 M105 G110 T144 F152	F95-L108 HydrophobicContact CB-CD1 4.08Å; F95-L108 HydrophobicContact CD2-CD1 3.71Å; F95-L108 HydrophobicContact CE2-CD1 4.49Å; F95-L108 HydrophobicContact CG-CD1 4.09Å; D104-L108 PolarHBondContact O-N 2.84Å; M105-L108 WeakPolarHBondContact O-CB 3.42Å; M105-L108 HydrophobicContact SD-CD1 4.3Å; M105-L108 HydrophobicContact SD-CD2 4.33Å; L108-G110 PolarHBondContact O-N 3.39Å; L108-T144 HydrophobicContact CD2-CG2 3.94Å; L108-F152 HydrophobicContact CD1-CE2 4Å; L108-F152 HydrophobicContact CD1-CZ 3.74Å; L108-F152 HydrophobicContact CD2-CE2 4.03Å; L108-F152 HydrophobicContact CD2-CZ 3.86Å; L108-F152 HydrophobicContact CG-CZ 4.43Å
109	L	93.6	Very high	92.7	Very high	23 Å²	23	57.3 Å²	57.3	12%	0.12	29%	0.286	C	S	.	.			trans	-59.2	109.5	173.4	174	61.6	0	0	0	110.4	L78 C96 L98 I113	L78-L109 HydrophobicContact CD2-CD2 3.54Å; C96-L109 HydrophobicContact CB-CB 4.17Å; C96-L109 HydrophobicContact CB-CD2 4.17Å; C96-L109 WeakPolarHBondContact O-CB 3.41Å; C96-L109 PolarHBondContact O-N 3.18Å; L98-L109 HydrophobicContact CD1-CD1 4.21Å; L98-L109 HydrophobicContact CD2-CD1 4.35Å; L109-I113 HydrophobicContact CD1-CD1 3.9Å; L109-I113 HydrophobicContact CD1-CG1 3.49Å; L109-I113 VanDerWaalsContact CD1-CG1 3.49Å
110	G	86.3	Confident	92.8	Very high	19 Å²	19	54.2 Å²	54.2	20%	0.196	27%	0.268	C	S	.	.			trans	-107.1	27.1	-176.5	0	0	0	0	0	114.8	L108	L108-G110 PolarHBondContact O-N 3.39Å
111	G	84.6	Confident	92.9	Very high	6 Å²	6	53 Å²	53	6%	0.062	26%	0.261	C	S	.	.	S	Bend	trans	86.7	3.5	-178.7	0	0	0	0	0	115	R240 L241	G111-R240 CarbonylContact O-C 3.6Å; G111-R240 WeakPolarHBondContact O-CA 3.48Å; G111-L241 PolarHBondContact O-N 2.87Å
112	Q	88.1	Confident	93.1	Very high	49 Å²	49	48.7 Å²	48.7	23%	0.229	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.1	168.7	-71.5	-179.5	-10.9	0	0	110.1	L98 L239 R240 P253	L98-Q112 WeakPolarHBondContact CD1-O 3.29Å; Q112-L239 WeakPolarHBondContact CA-O 3.4Å; Q112-R240 HydrophobicContact CG-CG 4.45Å; Q112-P253 VanDerWaalsContact OE1-CD 3.32Å; Q112-P253 VanDerWaalsContact OE1-CG 3.23Å
113	I	91.1	Very high	93.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	113.9	176.3	-49.8	-180	0	0	0	107.4	F56 F72 L78 L98 L109 D117 I119 T238 L239 L241	F56-I113 HydrophobicContact CD1-CG2 3.71Å; F56-I113 HydrophobicContact CE1-CB 4.18Å; F56-I113 HydrophobicContact CE1-CG2 3.43Å; F56-I113 VanDerWaalsContact CE1-CG2 3.43Å; F56-I113 HydrophobicContact CZ-CG2 4.25Å; F72-I113 HydrophobicContact CE2-CD1 4.11Å; F72-I113 HydrophobicContact CZ-CD1 4.4Å; L78-I113 HydrophobicContact CD2-CD1 4.08Å; L98-I113 HydrophobicContact CD2-CG2 4.33Å; L109-I113 HydrophobicContact CD1-CD1 3.9Å; L109-I113 HydrophobicContact CD1-CG1 3.49Å; L109-I113 VanDerWaalsContact CD1-CG1 3.49Å; I113-D117 HydrophobicContact CG2-CB 3.97Å; I113-I119 HydrophobicContact CD1-CD1 4.19Å; I113-I119 HydrophobicContact CG2-CD1 4.31Å; I113-I119 HydrophobicContact CG2-CG1 4.5Å; I113-T238 CarbonylContact O-C 3.5Å; I113-L239 HydrophobicContact CB-CB 4.46Å; I113-L239 PolarHBondContact N-O 2.77Å; I113-L239 PolarHBondContact O-N 3.04Å; I113-L241 HydrophobicContact CD1-CD1 3.76Å; I113-L241 HydrophobicContact CD1-CG 4.45Å; I113-L241 HydrophobicContact CG1-CD1 4.38Å
114	G	90.8	Very high	93.3	Very high	16 Å²	16	43 Å²	43	17%	0.165	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	143.9	171.2	0	0	0	0	0	110.5	F56 E116 D117	F56-G114 WeakPolarHBondContact CE1-O 3.17Å; G114-E116 PolarHBondContact O-N 2.64Å; G114-D117 WeakPolarHBondContact CA-OD2 3.22Å; G114-D117 PolarHBondContact N-OD2 3.13Å; G114-D117 VanDerWaalsContact O-CB 3.31Å; G114-D117 WeakPolarHBondContact O-CB 3.36Å; G114-D117 PolarHBondContact O-N 3.39Å
115	L	87.5	Confident	93.4	Very high	67 Å²	67	41.9 Å²	41.9	35%	0.351	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.9	-176.3	-62.8	-173.3	0	0	0	114.1	L54 F56 S237	L54-L115 HydrophobicContact CD1-CD2 4.27Å; L54-L115 HydrophobicContact CD2-CD2 3.87Å; F56-L115 HydrophobicContact CZ-CD2 4.33Å; L115-S237 WeakPolarHBondContact CG-O 3.49Å
116	E	87.9	Confident	93.5	Very high	151 Å²	151	46.2 Å²	46.2	71%	0.706	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	0.9	177.7	-58.7	-177.3	150.9	0	0	112.8	G114 R236	G114-E116 PolarHBondContact O-N 2.64Å; E116-R236 IonicContact OE2-CZ 3.91Å; E116-R236 IonicContact OE2-NE 3.89Å; E116-R236 IonicContact OE2-NH2 3.53Å; E116-R236 PolarHBondContact OE2-NH2 2.74Å
117	D	93.9	Very high	93.7	Very high	35 Å²	35	44 Å²	44	19%	0.187	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-69.2	144.6	-174.9	-77.6	-19.6	0	0	0	112.4	L98 N99 I113 G114	L98-D117 HydrophobicContact CD2-CB 4.45Å; N99-D117 PolarHBondContact ND2-OD1 3.14Å; I113-D117 HydrophobicContact CG2-CB 3.97Å; G114-D117 WeakPolarHBondContact CA-OD2 3.22Å; G114-D117 PolarHBondContact N-OD2 3.13Å; G114-D117 VanDerWaalsContact O-CB 3.31Å; G114-D117 WeakPolarHBondContact O-CB 3.36Å; G114-D117 PolarHBondContact O-N 3.39Å
118	F	96	Very high	93.8	Very high	50 Å²	50	40.3 Å²	40.3	22%	0.219	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.1	173.1	-156.7	-71.3	0	0	0	110.1	H57 Q59 T66 L98 N99 F120	H57-F118 HydrophobicContact CB-CD2 3.71Å; H57-F118 HydrophobicContact CB-CE2 3.54Å; H57-F118 HydrophobicContact CB-CG 4.41Å; H57-F118 HydrophobicContact CB-CZ 4.11Å; Q59-F118 HydrophobicContact CB-CE1 3.9Å; Q59-F118 HydrophobicContact CB-CZ 4.47Å; Q59-F118 HydrophobicContact CG-CE1 3.73Å; Q59-F118 HydrophobicContact CG-CZ 3.79Å; T66-F118 HydrophobicContact CG2-CE2 3.96Å; T66-F118 HydrophobicContact CG2-CZ 3.71Å; L98-F118 CarbonylContact C-O 3.53Å; L98-F118 WeakPolarHBondContact CA-O 3.49Å; N99-F118 PolarHBondContact N-O 3.05Å; N99-F118 PolarHBondContact OD1-N 3.26Å; F118-F120 HydrophobicContact CB-CE2 4.19Å; F118-F120 AromaticContact CD1-CD2 3.92Å; F118-F120 HydrophobicContact CD1-CD2 3.92Å; F118-F120 HydrophobicContact CD1-CE1 4.19Å; F118-F120 AromaticContact CD1-CE2 3.41Å; F118-F120 HydrophobicContact CD1-CE2 3.41Å; F118-F120 VanDerWaalsContact CD1-CE2 3.41Å; F118-F120 AromaticContact CD1-CZ 3.58Å; F118-F120 HydrophobicContact CD1-CZ 3.58Å; F118-F120 HydrophobicContact CE1-CE1 4.08Å; F118-F120 HydrophobicContact CE1-CE2 4.13Å; F118-F120 AromaticContact CE1-CZ 3.83Å; F118-F120 HydrophobicContact CE1-CZ 3.83Å; F118-F120 HydrophobicContact CG-CE2 4.09Å; F118-F120 HydrophobicContact CG-CZ 4.37Å
119	I	98.1	Very high	93.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.4	-173.5	-56.7	171	0	0	0	110.6	F56 H57 T58 Q59 I69 L78 I82 C96 L98 I113	F56-I119 HydrophobicContact CB-CD1 3.93Å; F56-I119 HydrophobicContact CD1-CD1 4.42Å; F56-I119 HydrophobicContact CG-CD1 4.27Å; H57-I119 PolarHBondContact O-N 2.93Å; T58-I119 CarbonylContact C-O 3.41Å; T58-I119 WeakPolarHBondContact CA-O 3.14Å; T58-I119 WeakPolarHBondContact CB-O 3.46Å; T58-I119 PolarHBondContact OG1-O 3.34Å; Q59-I119 PolarHBondContact N-O 3.16Å; I69-I119 HydrophobicContact CD1-CD1 4.18Å; L78-I119 HydrophobicContact CD1-CD1 4.05Å; I82-I119 HydrophobicContact CD1-CG2 4.06Å; C96-I119 HydrophobicContact CB-CG2 3.92Å; L98-I119 HydrophobicContact CD2-CG1 3.9Å; I113-I119 HydrophobicContact CD1-CD1 4.19Å; I113-I119 HydrophobicContact CG2-CD1 4.31Å; I113-I119 HydrophobicContact CG2-CG1 4.5Å
120	F	98.3	Very high	94.1	Very high	23 Å²	23	44.5 Å²	44.5	10%	0.101	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.1	173.9	-69.1	-90.3	0	0	0	110.6	Q59 A61 C96 T97 T100 H101 F118	Q59-F120 HydrophobicContact CB-CD1 4.02Å; Q59-F120 HydrophobicContact CB-CE1 4.03Å; Q59-F120 CarbonylContact O-C 3.59Å; Q59-F120 VanDerWaalsContact O-CA 3.29Å; Q59-F120 WeakPolarHBondContact O-CA 2.99Å; A61-F120 HydrophobicContact CB-CB 4.45Å; C96-F120 CarbonylContact C-O 3.56Å; C96-F120 VanDerWaalsContact CA-O 3.23Å; C96-F120 WeakPolarHBondContact CA-O 3.47Å; T97-F120 PolarHBondContact N-O 2.87Å; T97-F120 PolarHBondContact O-N 2.84Å; T100-F120 VanDerWaalsContact O-CB 3.24Å; T100-F120 WeakPolarHBondContact O-CB 3.5Å; T100-F120 VanDerWaalsContact O-CD2 3.22Å; T100-F120 WeakPolarHBondContact O-CD2 3.03Å; T100-F120 VanDerWaalsContact O-CG 3.28Å; T100-F120 WeakPolarHBondContact O-CG 3.28Å; H101-F120 HydrophobicContact CB-CD1 3.53Å; H101-F120 HydrophobicContact CB-CE1 3.74Å; H101-F120 HydrophobicContact CB-CG 4.15Å; F118-F120 HydrophobicContact CB-CE2 4.19Å; F118-F120 AromaticContact CD1-CD2 3.92Å; F118-F120 HydrophobicContact CD1-CD2 3.92Å; F118-F120 HydrophobicContact CD1-CE1 4.19Å; F118-F120 AromaticContact CD1-CE2 3.41Å; F118-F120 HydrophobicContact CD1-CE2 3.41Å; F118-F120 VanDerWaalsContact CD1-CE2 3.41Å; F118-F120 AromaticContact CD1-CZ 3.58Å; F118-F120 HydrophobicContact CD1-CZ 3.58Å; F118-F120 HydrophobicContact CE1-CE1 4.08Å; F118-F120 HydrophobicContact CE1-CE2 4.13Å; F118-F120 AromaticContact CE1-CZ 3.83Å; F118-F120 HydrophobicContact CE1-CZ 3.83Å; F118-F120 HydrophobicContact CG-CE2 4.09Å; F118-F120 HydrophobicContact CG-CZ 4.37Å
121	A	98.3	Very high	94.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.9	179.9	0	0	0	0	0	111.1	Q59 L60 A61 I82 I93	Q59-A121 PolarHBondContact O-N 2.91Å; L60-A121 CarbonylContact C-O 3.1Å; L60-A121 WeakPolarHBondContact CA-O 3.44Å; L60-A121 HydrophobicContact CD2-CB 4.21Å; A61-A121 WeakPolarHBondContact CB-O 3.49Å; A61-A121 PolarHBondContact N-O 2.96Å; I82-A121 HydrophobicContact CD1-CB 4.44Å; I82-A121 HydrophobicContact CG2-CB 3.7Å; I93-A121 HydrophobicContact CG2-CB 4.36Å
122	H	98.4	Very high	95.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.4	175.3	-66.4	-95.3	0	0	0	108.6	A61 L94 F95 T97 H101 P210	A61-H122 VanDerWaalsContact CB-CE1 3.46Å; A61-H122 WeakPolarHBondContact CB-CE1 3.26Å; A61-H122 WeakPolarHBondContact CB-ND1 3.42Å; L94-H122 WeakPolarHBondContact CB-O 3.41Å; L94-H122 PolarHBondContact N-O 2.93Å; F95-H122 HydrophobicContact CD1-CB 4.46Å; F95-H122 HydrophobicContact CD2-CB 3.97Å; F95-H122 AromaticContact CD2-CD2 3.6Å; F95-H122 AromaticContact CD2-CG 3.87Å; F95-H122 HydrophobicContact CE1-CB 4.22Å; F95-H122 HydrophobicContact CE2-CB 3.71Å; F95-H122 AromaticContact CE2-CD2 3.31Å; F95-H122 WeakPolarHBondContact CE2-CD2 3.32Å; F95-H122 AromaticContact CE2-CG 3.34Å; F95-H122 AromaticContact CE2-ND1 3.89Å; F95-H122 AromaticContact CE2-NE2 3.82Å; F95-H122 HydrophobicContact CG-CB 4.33Å; F95-H122 HydrophobicContact CZ-CB 3.83Å; F95-H122 AromaticContact CZ-CG 3.76Å; F95-H122 PolarHBondContact N-O 3.06Å; F95-H122 PolarHBondContact O-N 2.73Å; T97-H122 PolarHBondContact OG1-NE2 2.76Å; H101-H122 PolarHBondContact O-CE1 3.49Å; H122-P210 HydrophobicContact CB-CB 4.28Å
123	I	98.1	Very high	95.7	Very high	19 Å²	19	53.9 Å²	53.9	10%	0.097	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	162.1	-177.6	66.9	162.1	0	0	0	111.8	L60 H62 I88 D92 I93 G125 P210 M211	L60-I123 HydrophobicContact CD2-CG2 4.07Å; H62-I123 WeakPolarHBondContact CE1-CD1 3.41Å; I88-I123 HydrophobicContact CD1-CG2 3.85Å; D92-I123 CarbonylContact O-C 3.45Å; D92-I123 WeakPolarHBondContact O-CA 3.13Å; D92-I123 WeakPolarHBondContact O-CB 3.31Å; I93-I123 HydrophobicContact CG1-CG2 4.3Å; I123-G125 PolarHBondContact O-N 3.2Å; I123-P210 CarbonylContact O-C 3.5Å; I123-P210 WeakPolarHBondContact O-CA 3.22Å; I123-M211 HydrophobicContact CD1-SD 4.02Å; I123-M211 HydrophobicContact CG1-CB 3.93Å; I123-M211 HydrophobicContact CG1-SD 4.35Å; I123-M211 PolarHBondContact O-N 3.46Å
124	K	97.9	Very high	96	Very high	55 Å²	55	54 Å²	54	24%	0.239	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	127	175.6	-72.3	-177.3	177.1	176.5	0	111.1	P91 D92 L94 Y150 I208	P91-K124 WeakPolarHBondContact O-CE 3.37Å; P91-K124 PolarHBondContact O-NZ 3.34Å; P91-K124 VanDerWaalsContact O-NZ 3.15Å; D92-K124 PolarHBondContact O-N 3.26Å; L94-K124 HydrophobicContact CD1-CG 4.47Å; L94-K124 HydrophobicContact CD2-CD 4.42Å; L94-K124 HydrophobicContact CD2-CG 3.51Å; L94-K124 HydrophobicContact CG-CG 3.89Å; K124-Y150 WeakPolarHBondContact CE-OH 3.31Å; K124-Y150 PolarHBondContact NZ-OH 2.95Å; K124-I208 HydrophobicContact CB-CG2 3.89Å; K124-I208 HydrophobicContact CD-CD1 4Å; K124-I208 HydrophobicContact CG-CD1 4.41Å; K124-I208 HydrophobicContact CG-CG2 3.96Å
125	G	96.6	Very high	96.2	Very high	31 Å²	31	55.4 Å²	55.4	32%	0.32	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-121.9	173	0	0	0	0	0	111.2	I123 E209	I123-G125 PolarHBondContact O-N 3.2Å; G125-E209 CarbonylContact C-O 3.55Å; G125-E209 WeakPolarHBondContact CA-O 3.28Å; G125-E209 PolarHBondContact N-O 2.7Å
126	I	95.6	Very high	96.6	Very high	115 Å²	115	56 Å²	56	59%	0.59	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.5	-170.5	-61.3	171.9	0	0	0	110.5	K128 I208 E209	I126-K128 HydrophobicContact CG2-CG 4.25Å; I126-I208 WeakPolarHBondContact O-CA 3.13Å; I126-E209 PolarHBondContact N-O 2.97Å; I126-E209 PolarHBondContact O-N 2.88Å
127	K	97.4	Very high	96.7	Very high	131 Å²	131	53.7 Å²	53.7	57%	0.57	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.5	168.9	-62.6	-160.3	170.6	-148.7	0	110.7	E175 L207 I208	K127-E175 VanDerWaalsContact NZ-CD 3.28Å; K127-E175 IonicContact NZ-OE1 3.62Å; K127-E175 PolarHBondContact NZ-OE1 3.47Å; K127-E175 IonicContact NZ-OE2 3.24Å; K127-E175 PolarHBondContact NZ-OE2 3.31Å; K127-L207 CarbonylContact C-O 3.52Å; K127-L207 WeakPolarHBondContact CA-O 3.37Å; K127-I208 HydrophobicContact CG-CG1 4.25Å
128	K	96.5	Very high	96.6	Very high	27 Å²	27	54.5 Å²	54.5	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.4	-179.4	-56.2	178.4	-69.3	-166.7	0	108.6	I126 V130 V167 D172 K206 L207 E209	I126-K128 HydrophobicContact CG2-CG 4.25Å; K128-V130 HydrophobicContact CB-CG2 4.44Å; K128-V167 HydrophobicContact CD-CG1 3.89Å; K128-V167 PolarHBondContact NZ-O 2.97Å; K128-D172 WeakPolarHBondContact CE-OD2 3.37Å; K128-D172 IonicContact NZ-OD1 2.91Å; K128-D172 PolarHBondContact NZ-OD1 3.08Å; K128-D172 IonicContact NZ-OD2 2.79Å; K128-D172 PolarHBondContact NZ-OD2 2.86Å; K128-K206 CarbonylContact O-C 3.57Å; K128-K206 WeakPolarHBondContact O-CA 3.18Å; K128-L207 HydrophobicContact CB-CB 4.31Å; K128-L207 PolarHBondContact N-O 3.35Å; K128-L207 PolarHBondContact O-N 3.4Å; K128-E209 IonicContact NZ-OE2 3.72Å; K128-E209 PolarHBondContact NZ-OE2 2.76Å
129	E	97.3	Very high	96.6	Very high	124 Å²	124	52.6 Å²	52.6	58%	0.579	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	124	170.7	-178.6	161.3	-161.3	0	0	107.3	K206	E129-K206 HydrophobicContact CB-CG 4.36Å; E129-K206 HydrophobicContact CG-CG 4.15Å; E129-K206 WeakPolarHBondContact OE1-CE 3.41Å; E129-K206 IonicContact OE1-NZ 3.5Å; E129-K206 WeakPolarHBondContact OE2-CE 3.47Å; E129-K206 IonicContact OE2-NZ 3.95Å; E129-K206 PolarHBondContact OE2-NZ 3.2Å
130	V	96.8	Very high	96.5	Very high	15 Å²	15	53.2 Å²	53.2	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.4	-169.6	-169.6	0	0	0	0	109.2	K128 V132 V165 V167 T204 I205	K128-V130 HydrophobicContact CB-CG2 4.44Å; V130-V132 HydrophobicContact CG1-CG2 4.1Å; V130-V165 HydrophobicContact CG1-CG1 3.49Å; V130-V165 VanDerWaalsContact CG1-CG1 3.49Å; V130-V167 HydrophobicContact CG2-CB 4.38Å; V130-V167 HydrophobicContact CG2-CG1 3.87Å; V130-T204 WeakPolarHBondContact O-CA 3.24Å; V130-I205 HydrophobicContact CB-CG2 4.05Å; V130-I205 PolarHBondContact N-O 2.83Å; V130-I205 PolarHBondContact O-N 2.77Å
131	E	97.1	Very high	96.5	Very high	147 Å²	147	53.1 Å²	53.1	69%	0.687	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.5	167	-77.8	-177	-173.5	0	0	109.4	T202 F203 T204	E131-T202 HydrophobicContact CB-CG2 3.88Å; E131-T202 HydrophobicContact CG-CG2 4.25Å; E131-F203 WeakPolarHBondContact CA-O 3.45Å; E131-T204 HydrophobicContact CG-CG2 3.71Å
132	V	97.6	Very high	96.5	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.3	-178.1	-178.6	0	0	0	0	108.8	V130 V161 V165 I168 T202 F203 I205	V130-V132 HydrophobicContact CG1-CG2 4.1Å; V132-V161 HydrophobicContact CG1-CG1 4.02Å; V132-V165 HydrophobicContact CG1-CG2 4.25Å; V132-V165 HydrophobicContact CG2-CG1 4.46Å; V132-V165 HydrophobicContact CG2-CG2 4.34Å; V132-I168 HydrophobicContact CG2-CD1 3.95Å; V132-T202 VanDerWaalsContact O-CA 3.3Å; V132-T202 WeakPolarHBondContact O-CA 3.39Å; V132-F203 HydrophobicContact CB-CD1 4.18Å; V132-F203 HydrophobicContact CB-CE1 3.59Å; V132-F203 HydrophobicContact CB-CE2 4.21Å; V132-F203 HydrophobicContact CB-CZ 3.6Å; V132-F203 HydrophobicContact CG1-CE1 3.63Å; V132-F203 HydrophobicContact CG1-CZ 3.76Å; V132-F203 HydrophobicContact CG2-CE2 4.5Å; V132-F203 HydrophobicContact CG2-CZ 4.18Å; V132-F203 PolarHBondContact N-O 3.33Å; V132-F203 VanDerWaalsContact O-CD1 3.27Å; V132-F203 WeakPolarHBondContact O-CD1 3.48Å; V132-F203 PolarHBondContact O-N 2.96Å; V132-I205 HydrophobicContact CG2-CG2 4.23Å
133	Y	97.6	Very high	96.4	Very high	121 Å²	121	53.6 Å²	53.6	48%	0.475	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.4	171.5	179.5	-104.6	0	0	0	110	S135 V161 N200	Y133-S135 PolarHBondContact O-N 3.19Å; Y133-V161 VanDerWaalsContact O-CG1 3.3Å; Y133-V161 WeakPolarHBondContact O-CG1 3.17Å; Y133-N200 WeakPolarHBondContact OH-CA 3.23Å; Y133-N200 PolarHBondContact OH-OD1 2.92Å
134	K	97.4	Very high	96.3	Very high	3 Å²	3	53 Å²	53	1%	0.013	27%	0.274	C	S	.	.			trans	-80.6	84.6	-178.9	-174.4	170.4	178.4	179.7	0	111.1	E136 D137 L139 L194 K195 L197 N200 T201 F203	K134-E136 VanDerWaalsContact CE-O 3.29Å; K134-E136 WeakPolarHBondContact CE-O 3.34Å; K134-E136 WeakPolarHBondContact CG-O 3.48Å; K134-D137 WeakPolarHBondContact CE-O 3.49Å; K134-D137 PolarHBondContact NZ-O 3.43Å; K134-L139 HydrophobicContact CB-CD2 4.31Å; K134-L139 HydrophobicContact CD-CD2 4.27Å; K134-L139 HydrophobicContact CG-CD2 3.92Å; K134-L194 PolarHBondContact NZ-O 3.19Å; K134-K195 PolarHBondContact NZ-O 2.99Å; K134-L197 HydrophobicContact CD-CB 3.79Å; K134-L197 WeakPolarHBondContact CD-O 3.31Å; K134-L197 WeakPolarHBondContact CE-O 3.22Å; K134-L197 PolarHBondContact NZ-O 2.91Å; K134-N200 WeakPolarHBondContact O-CA 3.24Å; K134-N200 PolarHBondContact O-N 2.86Å; K134-T201 PolarHBondContact N-O 3.07Å; K134-F203 HydrophobicContact CB-CD1 4.3Å; K134-F203 HydrophobicContact CB-CE1 4.16Å
135	S	96	Very high	96.2	Very high	45 Å²	45	51.1 Å²	51.1	32%	0.315	27%	0.267	S	S	.	.			trans	-76.5	-28.7	178.8	52.7	0	0	0	0	113.8	Y133 V161 K199	Y133-S135 PolarHBondContact O-N 3.19Å; S135-V161 WeakPolarHBondContact OG-CG2 3.25Å; S135-K199 WeakPolarHBondContact O-CE 3.39Å
136	E	95	Very high	96	Very high	79 Å²	79	50.2 Å²	50.2	37%	0.369	26%	0.255	S	S	.	.	S	Bend	trans	-112.3	164.1	178.1	-65.5	-172.7	-172.7	0	0	112.4	K134 A138 R157 V161	K134-E136 VanDerWaalsContact CE-O 3.29Å; K134-E136 WeakPolarHBondContact CE-O 3.34Å; K134-E136 WeakPolarHBondContact CG-O 3.48Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 WeakPolarHBondContact CB-O 3.22Å; E136-R157 IonicContact OE2-NH2 2.83Å; E136-R157 PolarHBondContact OE2-NH2 2.82Å; E136-R157 VanDerWaalsContact OE2-NH2 3.13Å; E136-V161 HydrophobicContact CB-CG2 3.8Å; E136-V161 HydrophobicContact CG-CG2 3.99Å
137	D	91.5	Very high	95.5	Very high	103 Å²	103	47.1 Å²	47.1	55%	0.551	25%	0.252	S	S	*	.	S	Bend	trans	-65.7	-36.1	175.1	-64.5	-66	0	0	0	111.7	K134 K199	K134-D137 WeakPolarHBondContact CE-O 3.49Å; K134-D137 PolarHBondContact NZ-O 3.43Å; D137-K199 WeakPolarHBondContact OD1-CD 3.15Å; D137-K199 IonicContact OD1-NZ 3.05Å; D137-K199 IonicContact OD2-NZ 2.89Å; D137-K199 PolarHBondContact OD2-NZ 2.63Å
138	A	92.1	Very high	95.1	Very high	51 Å²	51	43 Å²	43	42%	0.421	24%	0.242	S	C	.	.			trans	-108.8	136.9	175.5	0	0	0	0	0	110.8	E136 G140	E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 WeakPolarHBondContact CB-O 3.22Å; A138-G140 VanDerWaalsContact C-N 3.27Å; A138-G140 PolarHBondContact O-N 2.84Å
139	L	95.9	Very high	94.9	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.058	24%	0.243	C	C	.	.			trans	-77.5	-14.7	177	-62.3	174.5	0	0	0	113.2	K134 L141 S160 V161 A162 L194 F203	K134-L139 HydrophobicContact CB-CD2 4.31Å; K134-L139 HydrophobicContact CD-CD2 4.27Å; K134-L139 HydrophobicContact CG-CD2 3.92Å; L139-L141 HydrophobicContact CB-CD1 4.29Å; L139-L141 HydrophobicContact CB-CG 4.2Å; L139-L141 HydrophobicContact CD1-CD1 4.21Å; L139-S160 WeakPolarHBondContact O-CB 3.21Å; L139-S160 PolarHBondContact O-OG 2.8Å; L139-V161 HydrophobicContact CD2-CB 4.21Å; L139-V161 HydrophobicContact CD2-CG1 3.96Å; L139-A162 WeakPolarHBondContact O-CB 3.29Å; L139-A162 PolarHBondContact O-N 2.88Å; L139-L194 HydrophobicContact CD1-CB 4.1Å; L139-L194 HydrophobicContact CD1-CD2 3.95Å; L139-L194 HydrophobicContact CD1-CG 4.47Å; L139-F203 HydrophobicContact CD1-CE1 4.14Å; L139-F203 HydrophobicContact CD1-CE2 4.43Å; L139-F203 HydrophobicContact CD1-CZ 3.55Å; L139-F203 HydrophobicContact CD2-CE1 3.91Å; L139-F203 HydrophobicContact CD2-CZ 4.07Å; L139-F203 HydrophobicContact CG-CZ 4.48Å
140	G	96.1	Very high	94.8	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	22%	0.219	C	C	.	.			trans	75.7	26	-171.8	0	0	0	0	0	114.1	A138 I156 R157	A138-G140 VanDerWaalsContact C-N 3.27Å; A138-G140 PolarHBondContact O-N 2.84Å; G140-I156 CarbonylContact O-C 3.59Å; G140-I156 WeakPolarHBondContact O-CA 3.42Å; G140-R157 PolarHBondContact O-N 3.43Å
141	L	97.3	Very high	94.9	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.115	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.6	173	-65.3	175.2	0	0	0	110.3	L139 I143 I153 I156 A162 I168 L194	L139-L141 HydrophobicContact CB-CD1 4.29Å; L139-L141 HydrophobicContact CB-CG 4.2Å; L139-L141 HydrophobicContact CD1-CD1 4.21Å; L141-I143 HydrophobicContact CB-CD1 3.87Å; L141-I143 HydrophobicContact CD1-CD1 4.48Å; L141-I153 HydrophobicContact CD2-CD1 3.94Å; L141-I153 HydrophobicContact CD2-CG1 4.31Å; L141-I153 HydrophobicContact CD2-CG2 3.91Å; L141-I156 HydrophobicContact CD2-CG1 3.99Å; L141-A162 HydrophobicContact CD1-CB 4.36Å; L141-A162 HydrophobicContact CD2-CB 3.41Å; L141-A162 VanDerWaalsContact CD2-CB 3.41Å; L141-A162 HydrophobicContact CG-CB 3.66Å; L141-I168 HydrophobicContact CD2-CG2 4.45Å; L141-L194 HydrophobicContact CD1-CD1 4.17Å
142	T	97.6	Very high	94.9	Very high	11 Å²	11	29.7 Å²	29.7	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.6	165.1	-52.6	0	0	0	0	108.7	K154 R155 E269 G273 R275	T142-K154 PolarHBondContact O-N 2.83Å; T142-R155 PolarHBondContact N-O 3.06Å; T142-R155 PolarHBondContact O-N 3.35Å; T142-E269 HydrophobicContact CG2-CB 4.47Å; T142-E269 HydrophobicContact CG2-CG 3.83Å; T142-E269 PolarHBondContact OG1-OE1 3.05Å; T142-G273 WeakPolarHBondContact CA-O 3.48Å; T142-R275 HydrophobicContact CG2-CB 4.19Å; T142-R275 HydrophobicContact CG2-CG 3.4Å; T142-R275 VanDerWaalsContact CG2-CG 3.4Å
143	I	97.4	Very high	94.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.6	-174.2	-48.5	-56.3	0	0	0	110.5	L141 A151 I153 I174 H187 V190 A191 L194 G273 I274 R275	L141-I143 HydrophobicContact CB-CD1 3.87Å; L141-I143 HydrophobicContact CD1-CD1 4.48Å; I143-A151 HydrophobicContact CG2-CB 4.02Å; I143-I153 HydrophobicContact CD1-CG1 4.3Å; I143-I174 HydrophobicContact CD1-CD1 3.78Å; I143-H187 HydrophobicContact CG2-CB 3.9Å; I143-V190 HydrophobicContact CG2-CB 4.42Å; I143-V190 HydrophobicContact CG2-CG1 4.34Å; I143-A191 HydrophobicContact CB-CB 4.36Å; I143-A191 HydrophobicContact CG1-CB 4.19Å; I143-L194 HydrophobicContact CD1-CD1 4.14Å; I143-L194 HydrophobicContact CG1-CD1 4.28Å; I143-G273 PolarHBondContact N-O 3.21Å; I143-I274 WeakPolarHBondContact O-CA 3.19Å; I143-R275 PolarHBondContact O-N 3.35Å
144	T	96.1	Very high	94.9	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	173.8	169.5	-165.3	0	0	0	0	109	L108 A151 F152 K154 H187 R275	L108-T144 HydrophobicContact CD2-CG2 3.94Å; T144-A151 CarbonylContact O-C 3.51Å; T144-A151 VanDerWaalsContact O-CA 3.25Å; T144-A151 WeakPolarHBondContact O-CA 3.3Å; T144-F152 HydrophobicContact CG2-CD1 4.36Å; T144-F152 HydrophobicContact CG2-CD2 3.67Å; T144-F152 HydrophobicContact CG2-CE1 3.94Å; T144-F152 HydrophobicContact CG2-CE2 3.19Å; T144-F152 HydrophobicContact CG2-CG 4.23Å; T144-F152 HydrophobicContact CG2-CZ 3.34Å; T144-F152 PolarHBondContact N-O 3.2Å; T144-F152 PolarHBondContact O-N 2.94Å; T144-K154 HydrophobicContact CG2-CB 3.76Å; T144-K154 HydrophobicContact CG2-CD 4.11Å; T144-K154 HydrophobicContact CG2-CG 4.1Å; T144-H187 VanDerWaalsContact C-CB 3.4Å; T144-R275 WeakPolarHBondContact CB-O 3.42Å; T144-R275 PolarHBondContact OG1-O 3.01Å
145	D	94.8	Very high	94.9	Very high	16 Å²	16	31.3 Å²	31.3	9%	0.086	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	169	171.8	70.2	46.3	0	0	0	112.4	G147 Y150 A151 R186 H187	D145-G147 VanDerWaalsContact C-N 3.33Å; D145-G147 PolarHBondContact OD1-N 3.37Å; D145-Y150 WeakPolarHBondContact CA-O 3.39Å; D145-Y150 VanDerWaalsContact CB-O 3.22Å; D145-Y150 WeakPolarHBondContact CB-O 3.4Å; D145-A151 HydrophobicContact CB-CB 4.37Å; D145-R186 IonicContact OD1-NE 3.58Å; D145-R186 IonicContact OD1-NH2 3.63Å; D145-R186 WeakPolarHBondContact OD2-CA 3.25Å; D145-R186 IonicContact OD2-CZ 2.75Å; D145-R186 IonicContact OD2-NE 3.59Å; D145-R186 PolarHBondContact OD2-NE 2.91Å; D145-R186 IonicContact OD2-NH2 3.27Å; D145-H187 HydrophobicContact CB-CB 3.92Å; D145-H187 IonicContact OD1-ND1 2.64Å; D145-H187 IonicContact OD2-CE1 2.74Å; D145-H187 IonicContact OD2-CG 2.87Å; D145-H187 PolarHBondContact OD2-N 3.27Å; D145-H187 IonicContact OD2-ND1 3.54Å; D145-H187 PolarHBondContact OD2-ND1 3.45Å
146	N	92	Very high	95	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.059	18%	0.181	C	C	.	.			trans	-91.9	9.4	-176	74.4	-15.8	0	0	0	113.2	V75 Y79 L94 F95 A148 G149 Y150 F152	V75-N146 VanDerWaalsContact CG1-O 3.3Å; V75-N146 WeakPolarHBondContact CG1-O 3.24Å; Y79-N146 HydrophobicContact CE2-CB 4.13Å; Y79-N146 WeakPolarHBondContact CE2-O 3.47Å; Y79-N146 WeakPolarHBondContact OH-CB 3.47Å; Y79-N146 PolarHBondContact OH-O 3.46Å; Y79-N146 VanDerWaalsContact OH-O 3.13Å; L94-N146 WeakPolarHBondContact O-CB 3.07Å; L94-N146 PolarHBondContact O-ND2 3.08Å; F95-N146 HydrophobicContact CB-CB 4.37Å; N146-A148 PolarHBondContact O-N 3.16Å; N146-A148 VanDerWaalsContact O-N 3.09Å; N146-A148 VanDerWaalsContact OD1-C 3.28Å; N146-A148 WeakPolarHBondContact OD1-CA 3.41Å; N146-A148 PolarHBondContact OD1-N 3.14Å; N146-G149 PolarHBondContact OD1-N 2.85Å; N146-Y150 PolarHBondContact N-O 2.81Å; N146-Y150 PolarHBondContact OD1-N 3.34Å; N146-Y150 PolarHBondContact OD1-O 2.95Å; N146-F152 HydrophobicContact CB-CE1 4Å
147	G	87	Confident	95	Very high	51 Å²	51	33 Å²	33	53%	0.526	19%	0.186	S	C	.	.	S	Bend	trans	65	5.1	-173.2	0	0	0	0	0	115.4	D145	D145-G147 VanDerWaalsContact C-N 3.33Å; D145-G147 PolarHBondContact OD1-N 3.37Å
148	A	89.1	Confident	95.3	Very high	45 Å²	45	36.7 Å²	36.7	37%	0.372	20%	0.2	S	C	.	.	S	Bend	trans	-131.4	22.4	-175.7	0	0	0	0	0	113	Y79 N146	Y79-A148 HydrophobicContact CD2-CB 3.67Å; Y79-A148 HydrophobicContact CE2-CB 3.62Å; N146-A148 PolarHBondContact O-N 3.16Å; N146-A148 VanDerWaalsContact O-N 3.09Å; N146-A148 VanDerWaalsContact OD1-C 3.28Å; N146-A148 WeakPolarHBondContact OD1-CA 3.41Å; N146-A148 PolarHBondContact OD1-N 3.14Å
149	G	90.6	Very high	95.5	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	20%	0.204	C	C	.	.	S	Bend	trans	96.6	9.3	171.7	0	0	0	0	0	115.8	N146 G184	N146-G149 PolarHBondContact OD1-N 2.85Å; G149-G184 PolarHBondContact O-N 2.94Å
150	Y	96.6	Very high	95.5	Very high	18 Å²	18	36.1 Å²	36.1	7%	0.071	20%	0.201	C	C	.	.			trans	-115.2	113.6	173.7	-63.6	-25.8	0	0	0	111.8	P91 I93 L94 K124 D145 N146 H173 V183	P91-Y150 WeakPolarHBondContact CA-OH 3.45Å; P91-Y150 WeakPolarHBondContact CB-OH 3.33Å; P91-Y150 VanDerWaalsContact O-CE2 3.24Å; P91-Y150 WeakPolarHBondContact O-CE2 3.35Å; P91-Y150 PolarHBondContact O-OH 3.05Å; I93-Y150 WeakPolarHBondContact O-CD2 2.92Å; I93-Y150 WeakPolarHBondContact O-CE2 3.49Å; L94-Y150 HydrophobicContact CD2-CD2 4.02Å; L94-Y150 HydrophobicContact CD2-CE2 4.33Å; K124-Y150 WeakPolarHBondContact CE-OH 3.31Å; K124-Y150 PolarHBondContact NZ-OH 2.95Å; D145-Y150 WeakPolarHBondContact CA-O 3.39Å; D145-Y150 VanDerWaalsContact CB-O 3.22Å; D145-Y150 WeakPolarHBondContact CB-O 3.4Å; N146-Y150 PolarHBondContact N-O 2.81Å; N146-Y150 PolarHBondContact OD1-N 3.34Å; N146-Y150 PolarHBondContact OD1-O 2.95Å; Y150-H173 AromaticContact CD1-CE1 3.42Å; Y150-H173 VanDerWaalsContact CD1-CE1 3.42Å; Y150-H173 WeakPolarHBondContact CD1-CE1 3.12Å; Y150-H173 AromaticContact CD1-NE2 3.38Å; Y150-H173 WeakPolarHBondContact CD1-NE2 3.5Å; Y150-H173 AromaticContact CE1-NE2 3.89Å; Y150-H173 AromaticContact CG-CE1 3.7Å; Y150-H173 AromaticContact CG-NE2 3.85Å; Y150-V183 HydrophobicContact CD1-CG1 4.07Å; Y150-V183 HydrophobicContact CD1-CG2 4.33Å; Y150-V183 HydrophobicContact CE1-CB 4.48Å; Y150-V183 HydrophobicContact CE1-CG1 3.63Å; Y150-V183 HydrophobicContact CE1-CG2 4.09Å
151	A	97.5	Very high	95.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.8	168.7	0	0	0	0	0	110.9	I143 T144 D145 H173 I174 I182 V190	I143-A151 HydrophobicContact CG2-CB 4.02Å; T144-A151 CarbonylContact O-C 3.51Å; T144-A151 VanDerWaalsContact O-CA 3.25Å; T144-A151 WeakPolarHBondContact O-CA 3.3Å; D145-A151 HydrophobicContact CB-CB 4.37Å; A151-H173 WeakPolarHBondContact O-CA 3.46Å; A151-H173 PolarHBondContact O-ND1 3.09Å; A151-I174 PolarHBondContact O-N 2.85Å; A151-I182 HydrophobicContact CB-CD1 4.46Å; A151-V190 HydrophobicContact CB-CB 4.15Å; A151-V190 HydrophobicContact CB-CG1 4.3Å; A151-V190 HydrophobicContact CB-CG2 3.71Å
152	F	97.8	Very high	95.5	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.8	-178.3	57.9	-87.7	0	0	0	112	F95 M105 L108 T144 N146 K154 D172 H173	F95-F152 HydrophobicContact CB-CE1 3.81Å; F95-F152 HydrophobicContact CB-CE2 4.42Å; F95-F152 HydrophobicContact CB-CZ 3.7Å; F95-F152 HydrophobicContact CD1-CD1 4.14Å; F95-F152 AromaticContact CD1-CD2 3.99Å; F95-F152 HydrophobicContact CD1-CD2 3.99Å; F95-F152 HydrophobicContact CD1-CE1 4.08Å; F95-F152 AromaticContact CD1-CE2 3.9Å; F95-F152 HydrophobicContact CD1-CE2 3.9Å; F95-F152 HydrophobicContact CD1-CG 4.1Å; F95-F152 AromaticContact CD1-CZ 3.95Å; F95-F152 HydrophobicContact CD1-CZ 3.95Å; F95-F152 HydrophobicContact CE1-CD2 4.21Å; F95-F152 HydrophobicContact CE1-CE2 4.35Å; F95-F152 HydrophobicContact CG-CE1 4.22Å; F95-F152 HydrophobicContact CG-CE2 4.09Å; F95-F152 AromaticContact CG-CZ 3.87Å; F95-F152 HydrophobicContact CG-CZ 3.87Å; M105-F152 HydrophobicContact CE-CD2 3.98Å; M105-F152 HydrophobicContact CE-CE2 3.91Å; M105-F152 HydrophobicContact SD-CE2 3.98Å; L108-F152 HydrophobicContact CD1-CE2 4Å; L108-F152 HydrophobicContact CD1-CZ 3.74Å; L108-F152 HydrophobicContact CD2-CE2 4.03Å; L108-F152 HydrophobicContact CD2-CZ 3.86Å; L108-F152 HydrophobicContact CG-CZ 4.43Å; T144-F152 HydrophobicContact CG2-CD1 4.36Å; T144-F152 HydrophobicContact CG2-CD2 3.67Å; T144-F152 HydrophobicContact CG2-CE1 3.94Å; T144-F152 HydrophobicContact CG2-CE2 3.19Å; T144-F152 HydrophobicContact CG2-CG 4.23Å; T144-F152 HydrophobicContact CG2-CZ 3.34Å; T144-F152 PolarHBondContact N-O 3.2Å; T144-F152 PolarHBondContact O-N 2.94Å; N146-F152 HydrophobicContact CB-CE1 4Å; F152-K154 PolarHBondContact O-N 3.44Å; F152-D172 CarbonylContact C-O 3.45Å; F152-D172 WeakPolarHBondContact CA-O 3.39Å; F152-D172 VanDerWaalsContact CB-O 3.24Å; F152-D172 WeakPolarHBondContact CB-O 3.43Å; F152-H173 HydrophobicContact CB-CB 4.38Å
153	I	98.2	Very high	95.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	113.1	-176.2	-59.2	175.8	0	0	0	109.2	L141 I143 I156 I168 G171 D172 I174	L141-I153 HydrophobicContact CD2-CD1 3.94Å; L141-I153 HydrophobicContact CD2-CG1 4.31Å; L141-I153 HydrophobicContact CD2-CG2 3.91Å; I143-I153 HydrophobicContact CD1-CG1 4.3Å; I153-I156 HydrophobicContact CG2-CD1 4.23Å; I153-I156 HydrophobicContact CG2-CG1 3.67Å; I153-I168 HydrophobicContact CD1-CG2 3.29Å; I153-G171 PolarHBondContact O-N 3.45Å; I153-D172 HydrophobicContact CD1-CB 4.15Å; I153-D172 PolarHBondContact N-O 2.95Å; I153-I174 HydrophobicContact CG1-CD1 4.33Å; I153-I174 HydrophobicContact CG1-CG1 4.43Å
154	K	97.2	Very high	95.4	Very high	22 Å²	22	43 Å²	43	10%	0.096	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-35.8	175.4	-162	179.9	-174.7	171.8	0	111.9	M105 T142 T144 F152 V170 D265 R275	M105-K154 HydrophobicContact CB-CG 3.82Å; M105-K154 HydrophobicContact CG-CG 3.92Å; M105-K154 WeakPolarHBondContact CG-O 3.5Å; M105-K154 HydrophobicContact SD-CG 4.05Å; T142-K154 PolarHBondContact O-N 2.83Å; T144-K154 HydrophobicContact CG2-CB 3.76Å; T144-K154 HydrophobicContact CG2-CD 4.11Å; T144-K154 HydrophobicContact CG2-CG 4.1Å; F152-K154 PolarHBondContact O-N 3.44Å; K154-V170 WeakPolarHBondContact O-CG1 3.35Å; K154-D265 IonicContact NZ-OD2 3.68Å; K154-R275 HydrophobicContact CD-CB 3.49Å; K154-R275 VanDerWaalsContact CD-CB 3.49Å; K154-R275 HydrophobicContact CD-CG 4.01Å
155	R	97.3	Very high	95.3	Very high	140 Å²	140	44.2 Å²	44.2	53%	0.528	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150	-178.3	-158.4	-176.7	-168.5	169.5	3.7	111.1	T142 E269	T142-R155 PolarHBondContact N-O 3.06Å; T142-R155 PolarHBondContact O-N 3.35Å; R155-E269 WeakPolarHBondContact CD-OE1 3.49Å; R155-E269 IonicContact NH1-OE1 3.99Å; R155-E269 PolarHBondContact NH1-OE1 3.38Å; R155-E269 IonicContact NH1-OE2 3.94Å; R155-E269 PolarHBondContact NH1-OE2 3.15Å
156	I	97.8	Very high	95.2	Very high	36 Å²	36	50.5 Å²	50.5	19%	0.185	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.4	167.9	-54.3	178.1	0	0	0	106.6	G140 L141 I153 A162 D163 I168 V170	G140-I156 CarbonylContact O-C 3.59Å; G140-I156 WeakPolarHBondContact O-CA 3.42Å; L141-I156 HydrophobicContact CD2-CG1 3.99Å; I153-I156 HydrophobicContact CG2-CD1 4.23Å; I153-I156 HydrophobicContact CG2-CG1 3.67Å; I156-A162 HydrophobicContact CG2-CB 4.05Å; I156-D163 HydrophobicContact CG2-CB 3.86Å; I156-I168 HydrophobicContact CD1-CG2 4.11Å; I156-V170 HydrophobicContact CD1-CG2 4.34Å; I156-V170 HydrophobicContact CG1-CG2 4.06Å
157	R	96.3	Very high	95.3	Very high	123 Å²	123	53.8 Å²	53.8	46%	0.464	29%	0.286	S	S	.	.			trans	-72.3	127.7	176.6	-174.4	-174.5	79.5	-169.1	-0.4	109	E136 G140 S160 D163	E136-R157 IonicContact OE2-NH2 2.83Å; E136-R157 PolarHBondContact OE2-NH2 2.82Å; E136-R157 VanDerWaalsContact OE2-NH2 3.13Å; G140-R157 PolarHBondContact O-N 3.43Å; R157-S160 WeakPolarHBondContact O-CB 3.45Å; R157-S160 PolarHBondContact O-N 2.84Å; R157-S160 PolarHBondContact O-OG 2.85Å; R157-D163 WeakPolarHBondContact O-CB 3.31Å
158	E	96.1	Very high	95.8	Very high	180 Å²	180	52 Å²	52	84%	0.841	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	137.8	175	-171.6	176.2	-179.5	0	0	111.1	S160	E158-S160 PolarHBondContact O-N 2.79Å
159	G	96.2	Very high	96.2	Very high	50 Å²	50	51.7 Å²	51.7	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	15.3	-178.3	0	0	0	0	0	114.7	D163	G159-D163 PolarHBondContact N-OD2 3.47Å
160	S	96.8	Very high	96.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-88.8	167.1	173.3	68.4	0	0	0	0	112.8	L139 R157 E158 A162 D163 E164	L139-S160 WeakPolarHBondContact O-CB 3.21Å; L139-S160 PolarHBondContact O-OG 2.8Å; R157-S160 WeakPolarHBondContact O-CB 3.45Å; R157-S160 PolarHBondContact O-N 2.84Å; R157-S160 PolarHBondContact O-OG 2.85Å; E158-S160 PolarHBondContact O-N 2.79Å; S160-A162 PolarHBondContact O-N 3.4Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.45Å; S160-D163 PolarHBondContact OG-N 2.94Å; S160-E164 PolarHBondContact O-N 3.15Å; S160-E164 VanDerWaalsContact O-N 3.08Å
161	V	96.6	Very high	96.6	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-50	-43.2	173.8	-174.5	0	0	0	0	111.7	V132 Y133 S135 E136 L139	V132-V161 HydrophobicContact CG1-CG1 4.02Å; Y133-V161 VanDerWaalsContact O-CG1 3.3Å; Y133-V161 WeakPolarHBondContact O-CG1 3.17Å; S135-V161 WeakPolarHBondContact OG-CG2 3.25Å; E136-V161 HydrophobicContact CB-CG2 3.8Å; E136-V161 HydrophobicContact CG-CG2 3.99Å; L139-V161 HydrophobicContact CD2-CB 4.21Å; L139-V161 HydrophobicContact CD2-CG1 3.96Å
162	A	96.8	Very high	96.7	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-71.7	-32.8	179	0	0	0	0	0	113.2	L139 L141 I156 S160 E164 V165	L139-A162 WeakPolarHBondContact O-CB 3.29Å; L139-A162 PolarHBondContact O-N 2.88Å; L141-A162 HydrophobicContact CD1-CB 4.36Å; L141-A162 HydrophobicContact CD2-CB 3.41Å; L141-A162 VanDerWaalsContact CD2-CB 3.41Å; L141-A162 HydrophobicContact CG-CB 3.66Å; I156-A162 HydrophobicContact CG2-CB 4.05Å; S160-A162 PolarHBondContact O-N 3.4Å; A162-E164 VanDerWaalsContact C-N 3.32Å; A162-V165 PolarHBondContact O-N 2.88Å
163	D	97	Very high	96.7	Very high	45 Å²	45	52.8 Å²	52.8	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-32.3	176.2	-179.7	37	0	0	0	112	I156 R157 G159 S160 V165 K166	I156-D163 HydrophobicContact CG2-CB 3.86Å; R157-D163 WeakPolarHBondContact O-CB 3.31Å; G159-D163 PolarHBondContact N-OD2 3.47Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.45Å; S160-D163 PolarHBondContact OG-N 2.94Å; D163-V165 PolarHBondContact O-N 3.41Å; D163-K166 VanDerWaalsContact O-CD 3.31Å; D163-K166 WeakPolarHBondContact O-CD 3.46Å; D163-K166 WeakPolarHBondContact O-CE 3.45Å; D163-K166 PolarHBondContact O-NZ 3.29Å; D163-K166 IonicContact OD1-NZ 3.77Å; D163-K166 PolarHBondContact OD1-NZ 2.61Å; D163-K166 IonicContact OD2-NZ 2.73Å
164	E	95.6	Very high	96.7	Very high	139 Å²	139	52.8 Å²	52.8	65%	0.65	26%	0.264	S	S	*	.	H	α-helix	trans	-64.1	-27.3	174.4	-66.8	-177.5	167.9	0	0	112.3	S160 A162 K166	S160-E164 PolarHBondContact O-N 3.15Å; S160-E164 VanDerWaalsContact O-N 3.08Å; A162-E164 VanDerWaalsContact C-N 3.32Å; E164-K166 PolarHBondContact O-N 2.8Å
165	V	95.4	Very high	96.7	Very high	32 Å²	32	53.3 Å²	53.3	19%	0.194	27%	0.267	C	S	.	.			trans	-90.6	79.5	179.6	-170.3	0	0	0	0	110.3	V130 V132 A162 D163 V167 I168	V130-V165 HydrophobicContact CG1-CG1 3.49Å; V130-V165 VanDerWaalsContact CG1-CG1 3.49Å; V132-V165 HydrophobicContact CG1-CG2 4.25Å; V132-V165 HydrophobicContact CG2-CG1 4.46Å; V132-V165 HydrophobicContact CG2-CG2 4.34Å; A162-V165 PolarHBondContact O-N 2.88Å; D163-V165 PolarHBondContact O-N 3.41Å; V165-V167 PolarHBondContact O-N 3.18Å; V165-I168 HydrophobicContact CB-CD1 3.98Å; V165-I168 HydrophobicContact CB-CG1 4.19Å; V165-I168 HydrophobicContact CG1-CD1 3.87Å; V165-I168 HydrophobicContact CG1-CG1 3.84Å; V165-I168 WeakPolarHBondContact O-CB 3.44Å; V165-I168 PolarHBondContact O-N 3.23Å
166	K	91.4	Very high	96.8	Very high	147 Å²	147	47.2 Å²	47.2	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-10.4	-172.1	-57.9	-58.8	175	-164.6	0	116.9	D163 E164	D163-K166 VanDerWaalsContact O-CD 3.31Å; D163-K166 WeakPolarHBondContact O-CD 3.46Å; D163-K166 WeakPolarHBondContact O-CE 3.45Å; D163-K166 PolarHBondContact O-NZ 3.29Å; D163-K166 IonicContact OD1-NZ 3.77Å; D163-K166 PolarHBondContact OD1-NZ 2.61Å; D163-K166 IonicContact OD2-NZ 2.73Å; E164-K166 PolarHBondContact O-N 2.8Å
167	V	95.1	Very high	96.8	Very high	81 Å²	81	46 Å²	46	49%	0.491	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-23.7	174.8	178.9	0	0	0	0	111.8	K128 V130 V165	K128-V167 HydrophobicContact CD-CG1 3.89Å; K128-V167 PolarHBondContact NZ-O 2.97Å; V130-V167 HydrophobicContact CG2-CB 4.38Å; V130-V167 HydrophobicContact CG2-CG1 3.87Å; V165-V167 PolarHBondContact O-N 3.18Å
168	I	97.2	Very high	96.8	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.062	24%	0.24	C	C	.	.			trans	-80.8	126.1	175.7	-56.9	-177.4	0	0	0	108.5	V132 L141 I153 I156 V165 L207	V132-I168 HydrophobicContact CG2-CD1 3.95Å; L141-I168 HydrophobicContact CD2-CG2 4.45Å; I153-I168 HydrophobicContact CD1-CG2 3.29Å; I156-I168 HydrophobicContact CD1-CG2 4.11Å; V165-I168 HydrophobicContact CB-CD1 3.98Å; V165-I168 HydrophobicContact CB-CG1 4.19Å; V165-I168 HydrophobicContact CG1-CD1 3.87Å; V165-I168 HydrophobicContact CG1-CG1 3.84Å; V165-I168 WeakPolarHBondContact O-CB 3.44Å; V165-I168 PolarHBondContact O-N 3.23Å; I168-L207 HydrophobicContact CB-CD1 4.33Å; I168-L207 HydrophobicContact CG1-CD1 3.87Å; I168-L207 HydrophobicContact CG2-CD1 4.14Å
169	C	97.5	Very high	96.7	Very high	40 Å²	40	38.5 Å²	38.5	27%	0.27	23%	0.228	S	C	.	.			trans	-127	154	-175.8	-71.4	0	0	0	0	111.6	G171 D172	C169-G171 PolarHBondContact O-N 3.02Å; C169-D172 PolarHBondContact N-OD2 3.31Å; C169-D172 VanDerWaalsContact O-CB 3.31Å; C169-D172 WeakPolarHBondContact O-CB 3.44Å; C169-D172 VanDerWaalsContact O-CG 3.23Å; C169-D172 PolarHBondContact O-N 2.95Å
170	V	97.9	Very high	96.7	Very high	54 Å²	54	44 Å²	44	33%	0.327	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	135.5	166.1	173.1	0	0	0	0	109.3	I103 M105 K154 I156	I103-V170 HydrophobicContact CG2-CG1 4.38Å; M105-V170 HydrophobicContact CE-CG1 3.61Å; M105-V170 HydrophobicContact CG-CG1 3.6Å; M105-V170 HydrophobicContact SD-CG1 4.47Å; K154-V170 WeakPolarHBondContact O-CG1 3.35Å; I156-V170 HydrophobicContact CD1-CG2 4.34Å; I156-V170 HydrophobicContact CG1-CG2 4.06Å
171	G	97.6	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-12.6	-174.7	0	0	0	0	0	114.5	F95 M105 I153 C169 H173 P210	F95-G171 WeakPolarHBondContact CE1-O 3.36Å; M105-G171 VanDerWaalsContact CE-CA 3.42Å; I153-G171 PolarHBondContact O-N 3.45Å; C169-G171 PolarHBondContact O-N 3.02Å; G171-H173 PolarHBondContact O-N 3.13Å; G171-P210 VanDerWaalsContact O-CD 3.31Å; G171-P210 WeakPolarHBondContact O-CD 3.32Å; G171-P210 VanDerWaalsContact O-CG 3.22Å; G171-P210 WeakPolarHBondContact O-CG 3.38Å
172	D	98.4	Very high	96.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.			trans	-63.6	124.3	178.2	-73.9	-15.6	0	0	0	111.2	K128 F152 I153 C169 L207 E209	K128-D172 WeakPolarHBondContact CE-OD2 3.37Å; K128-D172 IonicContact NZ-OD1 2.91Å; K128-D172 PolarHBondContact NZ-OD1 3.08Å; K128-D172 IonicContact NZ-OD2 2.79Å; K128-D172 PolarHBondContact NZ-OD2 2.86Å; F152-D172 CarbonylContact C-O 3.45Å; F152-D172 WeakPolarHBondContact CA-O 3.39Å; F152-D172 VanDerWaalsContact CB-O 3.24Å; F152-D172 WeakPolarHBondContact CB-O 3.43Å; I153-D172 HydrophobicContact CD1-CB 4.15Å; I153-D172 PolarHBondContact N-O 2.95Å; C169-D172 PolarHBondContact N-OD2 3.31Å; C169-D172 VanDerWaalsContact O-CB 3.31Å; C169-D172 WeakPolarHBondContact O-CB 3.44Å; C169-D172 VanDerWaalsContact O-CG 3.23Å; C169-D172 PolarHBondContact O-N 2.95Å; D172-L207 HydrophobicContact CB-CB 4.22Å; D172-L207 HydrophobicContact CB-CD1 4.29Å; D172-L207 HydrophobicContact CB-CD2 4.29Å; D172-E209 WeakPolarHBondContact OD1-CA 3.2Å
173	H	98.3	Very high	96.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.6	170.5	169.2	49.1	0	0	0	110.3	L94 Y150 A151 F152 G171 E175 L207 I208	L94-H173 HydrophobicContact CD1-CB 4.33Å; L94-H173 HydrophobicContact CD2-CB 3.64Å; Y150-H173 AromaticContact CD1-CE1 3.42Å; Y150-H173 VanDerWaalsContact CD1-CE1 3.42Å; Y150-H173 WeakPolarHBondContact CD1-CE1 3.12Å; Y150-H173 AromaticContact CD1-NE2 3.38Å; Y150-H173 WeakPolarHBondContact CD1-NE2 3.5Å; Y150-H173 AromaticContact CE1-NE2 3.89Å; Y150-H173 AromaticContact CG-CE1 3.7Å; Y150-H173 AromaticContact CG-NE2 3.85Å; A151-H173 WeakPolarHBondContact O-CA 3.46Å; A151-H173 PolarHBondContact O-ND1 3.09Å; F152-H173 HydrophobicContact CB-CB 4.38Å; G171-H173 PolarHBondContact O-N 3.13Å; H173-E175 PolarHBondContact O-N 2.94Å; H173-L207 CarbonylContact O-C 3.56Å; H173-L207 WeakPolarHBondContact O-CA 3.45Å; H173-I208 HydrophobicContact CB-CB 4.38Å; H173-I208 PolarHBondContact N-O 3.38Å; H173-I208 PolarHBondContact O-N 2.9Å
174	I	98.3	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	108.9	176.6	-55.9	171.9	0	0	0	108	I143 A151 I153 I177 I182 V190 L194 I205 L207	I143-I174 HydrophobicContact CD1-CD1 3.78Å; A151-I174 PolarHBondContact O-N 2.85Å; I153-I174 HydrophobicContact CG1-CD1 4.33Å; I153-I174 HydrophobicContact CG1-CG1 4.43Å; I174-I177 HydrophobicContact CG2-CD1 4.33Å; I174-I177 HydrophobicContact CG2-CG1 3.97Å; I174-I182 HydrophobicContact CB-CD1 4.2Å; I174-I182 HydrophobicContact CG2-CD1 4.11Å; I174-I182 HydrophobicContact CG2-CG1 4.03Å; I174-I182 WeakPolarHBondContact O-CD1 3.19Å; I174-V190 HydrophobicContact CD1-CG1 3.88Å; I174-V190 HydrophobicContact CG2-CG1 4.45Å; I174-L194 HydrophobicContact CD1-CD1 4.12Å; I174-I205 HydrophobicContact CD1-CD1 4.36Å; I174-I205 HydrophobicContact CG1-CD1 4.22Å; I174-I205 HydrophobicContact CG2-CD1 3.93Å; I174-I205 HydrophobicContact CG2-CG1 4.03Å; I174-L207 HydrophobicContact CB-CD2 4.31Å; I174-L207 HydrophobicContact CG1-CD2 3.76Å
175	E	98	Very high	96.5	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-43.1	179.5	-174.7	175.5	-126	0	0	110.8	K127 H173 I182 V183 K206 I208	K127-E175 VanDerWaalsContact NZ-CD 3.28Å; K127-E175 IonicContact NZ-OE1 3.62Å; K127-E175 PolarHBondContact NZ-OE1 3.47Å; K127-E175 IonicContact NZ-OE2 3.24Å; K127-E175 PolarHBondContact NZ-OE2 3.31Å; H173-E175 PolarHBondContact O-N 2.94Å; E175-I182 PolarHBondContact O-N 3.31Å; E175-V183 HydrophobicContact CG-CG2 4.47Å; E175-K206 HydrophobicContact CB-CB 4.4Å; E175-K206 PolarHBondContact N-O 2.99Å; E175-I208 HydrophobicContact CB-CD1 4.33Å; E175-I208 HydrophobicContact CB-CG1 4.23Å; E175-I208 HydrophobicContact CG-CD1 4.43Å
176	C	97.8	Very high	96.3	Very high	13 Å²	13	48 Å²	48	9%	0.088	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.9	-179.9	-55.9	0	0	0	0	113.5	R180 I205 K206	C176-R180 CarbonylContact C-O 3.56Å; C176-R180 WeakPolarHBondContact CA-O 3.47Å; C176-R180 WeakPolarHBondContact CB-O 3.3Å; C176-I205 WeakPolarHBondContact O-CA 3.4Å; C176-K206 HydrophobicContact CB-CB 3.91Å; C176-K206 HydrophobicContact CB-CD 4.11Å; C176-K206 HydrophobicContact CB-CG 4.13Å; C176-K206 PolarHBondContact N-O 2.98Å; C176-K206 PolarHBondContact O-N 3.23Å
177	I	97.8	Very high	96.4	Very high	11 Å²	11	41 Å²	41	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.5	167.9	-58.4	169.1	0	0	0	107.8	I174 G179 R180 V190 M193 L194 L197 F203	I174-I177 HydrophobicContact CG2-CD1 4.33Å; I174-I177 HydrophobicContact CG2-CG1 3.97Å; I177-G179 PolarHBondContact O-N 2.72Å; I177-R180 PolarHBondContact N-O 2.98Å; I177-R180 WeakPolarHBondContact O-CB 3.39Å; I177-R180 PolarHBondContact O-N 3.13Å; I177-V190 HydrophobicContact CD1-CG1 4.25Å; I177-M193 HydrophobicContact CD1-CB 4.21Å; I177-L194 HydrophobicContact CD1-CD2 3.68Å; I177-L194 HydrophobicContact CD1-CG 3.86Å; I177-L194 HydrophobicContact CG1-CD2 4.22Å; I177-L197 HydrophobicContact CG2-CD1 4.31Å; I177-L197 HydrophobicContact CG2-CD2 4.35Å; I177-F203 HydrophobicContact CG2-CD2 4.48Å
178	N	96.5	Very high	96.2	Very high	86 Å²	86	39.4 Å²	39.4	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.8	-176.3	-72.3	-27	0	0	0	113.6	R180 F203 T204	N178-R180 PolarHBondContact O-N 3.33Å; N178-R180 VanDerWaalsContact O-N 3.12Å; N178-F203 VanDerWaalsContact OD1-CA 3.29Å; N178-F203 WeakPolarHBondContact OD1-CA 3.5Å; N178-F203 VanDerWaalsContact OD1-CB 3.26Å; N178-F203 WeakPolarHBondContact OD1-CB 3.2Å; N178-T204 WeakPolarHBondContact CA-OG1 3.19Å; N178-T204 PolarHBondContact N-O 2.75Å; N178-T204 PolarHBondContact OD1-N 3.4Å
179	G	94.8	Very high	96.1	Very high	58 Å²	58	43 Å²	43	60%	0.598	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-9.6	-177.8	0	0	0	0	0	115.4	I177 N181	I177-G179 PolarHBondContact O-N 2.72Å; G179-N181 PolarHBondContact O-N 2.82Å
180	R	96.3	Very high	96	Very high	165 Å²	165	41 Å²	41	62%	0.623	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.9	172.6	-178	177.8	179.2	178.5	-1.6	109.4	C176 I177 N178	C176-R180 CarbonylContact C-O 3.56Å; C176-R180 WeakPolarHBondContact CA-O 3.47Å; C176-R180 WeakPolarHBondContact CB-O 3.3Å; I177-R180 PolarHBondContact N-O 2.98Å; I177-R180 WeakPolarHBondContact O-CB 3.39Å; I177-R180 PolarHBondContact O-N 3.13Å; N178-R180 PolarHBondContact O-N 3.33Å; N178-R180 VanDerWaalsContact O-N 3.12Å
181	N	96.5	Very high	95.9	Very high	99 Å²	99	39 Å²	39	53%	0.529	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.9	171	-172.9	-29.8	0	0	0	109.7	G179 V183	G179-N181 PolarHBondContact O-N 2.82Å; N181-V183 VanDerWaalsContact OD1-CB 3.24Å; N181-V183 WeakPolarHBondContact OD1-CB 3.39Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.2Å; N181-V183 PolarHBondContact OD1-N 2.9Å
182	I	95.6	Very high	95.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.			trans	-115.3	9.3	-179.9	68.4	79.5	0	0	0	112.9	A151 I174 E175 G184 T185 V190 M193	A151-I182 HydrophobicContact CB-CD1 4.46Å; I174-I182 HydrophobicContact CB-CD1 4.2Å; I174-I182 HydrophobicContact CG2-CD1 4.11Å; I174-I182 HydrophobicContact CG2-CG1 4.03Å; I174-I182 WeakPolarHBondContact O-CD1 3.19Å; E175-I182 PolarHBondContact O-N 3.31Å; I182-G184 PolarHBondContact O-N 2.65Å; I182-T185 WeakPolarHBondContact O-CB 3.47Å; I182-T185 PolarHBondContact O-N 3.2Å; I182-T185 PolarHBondContact O-OG1 3.35Å; I182-V190 HydrophobicContact CD1-CG1 4.33Å; I182-V190 HydrophobicContact CD1-CG2 3.65Å; I182-V190 HydrophobicContact CG1-CG2 4.34Å; I182-M193 HydrophobicContact CG2-CE 4.24Å; I182-M193 HydrophobicContact CG2-SD 4.02Å
183	V	96.2	Very high	95.5	Very high	62 Å²	62	48.9 Å²	48.9	38%	0.376	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	132	171.8	172.9	0	0	0	0	109.9	Y150 E175 N181 T185	Y150-V183 HydrophobicContact CD1-CG1 4.07Å; Y150-V183 HydrophobicContact CD1-CG2 4.33Å; Y150-V183 HydrophobicContact CE1-CB 4.48Å; Y150-V183 HydrophobicContact CE1-CG1 3.63Å; Y150-V183 HydrophobicContact CE1-CG2 4.09Å; E175-V183 HydrophobicContact CG-CG2 4.47Å; N181-V183 VanDerWaalsContact OD1-CB 3.24Å; N181-V183 WeakPolarHBondContact OD1-CB 3.39Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.2Å; N181-V183 PolarHBondContact OD1-N 2.9Å; V183-T185 VanDerWaalsContact C-N 3.32Å
184	G	94.5	Very high	95.3	Very high	52 Å²	52	49.2 Å²	49.2	54%	0.536	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-14	-173.6	0	0	0	0	0	113.7	G149 I182	G149-G184 PolarHBondContact O-N 2.94Å; I182-G184 PolarHBondContact O-N 2.65Å
185	T	94.7	Very high	95.1	Very high	24 Å²	24	55.7 Å²	55.7	15%	0.147	29%	0.285	C	S	.	.			trans	-79	136	176.1	-58.9	0	0	0	0	110.7	I182 V183 E189 V190	I182-T185 WeakPolarHBondContact O-CB 3.47Å; I182-T185 PolarHBondContact O-N 3.2Å; I182-T185 PolarHBondContact O-OG1 3.35Å; V183-T185 VanDerWaalsContact C-N 3.32Å; T185-E189 HydrophobicContact CG2-CB 3.42Å; T185-E189 VanDerWaalsContact CG2-CB 3.42Å; T185-E189 HydrophobicContact CG2-CG 4.31Å; T185-E189 WeakPolarHBondContact CG2-OE2 3.38Å; T185-V190 HydrophobicContact CG2-CG2 3.73Å
186	R	92.7	Very high	94.9	Very high	72 Å²	72	59.1 Å²	59.1	27%	0.272	30%	0.304	S	S	.	.			trans	-71.8	153.1	177.2	-65.5	-60.9	-56.7	-88.6	4.8	111.5	D145 Y188 E189 V190 D276	D145-R186 IonicContact OD1-NE 3.58Å; D145-R186 IonicContact OD1-NH2 3.63Å; D145-R186 WeakPolarHBondContact OD2-CA 3.25Å; D145-R186 IonicContact OD2-CZ 2.75Å; D145-R186 IonicContact OD2-NE 3.59Å; D145-R186 PolarHBondContact OD2-NE 2.91Å; D145-R186 IonicContact OD2-NH2 3.27Å; R186-Y188 HydrophobicContact CB-CD1 3.62Å; R186-Y188 HydrophobicContact CB-CE1 3.17Å; R186-Y188 HydrophobicContact CB-CG 4.48Å; R186-Y188 HydrophobicContact CG-CE1 3.66Å; R186-Y188 PolarHBondContact O-N 2.81Å; R186-Y188 VanDerWaalsContact O-N 3.14Å; R186-E189 PolarHBondContact O-N 2.9Å; R186-E189 VanDerWaalsContact O-N 3.08Å; R186-V190 PolarHBondContact O-N 2.66Å; R186-V190 VanDerWaalsContact O-N 3.16Å; R186-D276 IonicContact NH2-OD2 3.13Å; R186-D276 PolarHBondContact NH2-OD2 3.05Å
187	H	93.8	Very high	94.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-53.8	-36.3	-176	58.1	-89.9	0	0	0	114.3	I143 T144 D145 V190 A191 D276	I143-H187 HydrophobicContact CG2-CB 3.9Å; T144-H187 VanDerWaalsContact C-CB 3.4Å; D145-H187 HydrophobicContact CB-CB 3.92Å; D145-H187 IonicContact OD1-ND1 2.64Å; D145-H187 IonicContact OD2-CE1 2.74Å; D145-H187 IonicContact OD2-CG 2.87Å; D145-H187 PolarHBondContact OD2-N 3.27Å; D145-H187 IonicContact OD2-ND1 3.54Å; D145-H187 PolarHBondContact OD2-ND1 3.45Å; H187-V190 PolarHBondContact O-N 3.32Å; H187-A191 WeakPolarHBondContact O-CB 3.25Å; H187-A191 PolarHBondContact O-N 2.97Å; H187-D276 IonicContact CE1-OD2 2.79Å; H187-D276 PolarHBondContact CE1-OD2 3.48Å; H187-D276 IonicContact ND1-OD2 3.75Å; H187-D276 IonicContact NE2-OD2 2.65Å
188	Y	90.9	Very high	94.8	Very high	46 Å²	46	62.9 Å²	62.9	18%	0.18	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-37.4	179.5	62.3	-94.3	0	0	0	113	R186 R192 F307	R186-Y188 HydrophobicContact CB-CD1 3.62Å; R186-Y188 HydrophobicContact CB-CE1 3.17Å; R186-Y188 HydrophobicContact CB-CG 4.48Å; R186-Y188 HydrophobicContact CG-CE1 3.66Å; R186-Y188 PolarHBondContact O-N 2.81Å; R186-Y188 VanDerWaalsContact O-N 3.14Å; Y188-R192 WeakPolarHBondContact O-CB 3.37Å; Y188-R192 PolarHBondContact O-N 2.98Å; Y188-F307 AromaticContact CD1-CD1 3.89Å; Y188-F307 HydrophobicContact CD1-CD1 3.89Å; Y188-F307 AromaticContact CD1-CE1 3.35Å; Y188-F307 HydrophobicContact CD1-CE1 3.35Å; Y188-F307 HydrophobicContact CD1-CZ 4.12Å; Y188-F307 HydrophobicContact CE1-CD1 4.11Å; Y188-F307 AromaticContact CE1-CE1 3.53Å; Y188-F307 HydrophobicContact CE1-CE1 3.53Å; Y188-F307 AromaticContact CE1-CZ 3.87Å; Y188-F307 HydrophobicContact CE1-CZ 3.87Å; Y188-F307 HydrophobicContact CG-CD1 4.16Å; Y188-F307 HydrophobicContact CG-CE1 4.07Å
189	E	93.3	Very high	94.8	Very high	87 Å²	87	63 Å²	63	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-69.9	-40	174.1	-62.7	-174.5	-170.5	0	0	110.7	T185 R186 R192 M193	T185-E189 HydrophobicContact CG2-CB 3.42Å; T185-E189 VanDerWaalsContact CG2-CB 3.42Å; T185-E189 HydrophobicContact CG2-CG 4.31Å; T185-E189 WeakPolarHBondContact CG2-OE2 3.38Å; R186-E189 PolarHBondContact O-N 2.9Å; R186-E189 VanDerWaalsContact O-N 3.08Å; E189-R192 PolarHBondContact O-N 3.03Å; E189-M193 WeakPolarHBondContact O-CB 3.44Å; E189-M193 VanDerWaalsContact O-CG 3.22Å; E189-M193 WeakPolarHBondContact O-CG 3.32Å; E189-M193 PolarHBondContact O-N 3.43Å
190	V	96.1	Very high	94.9	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-45.1	175.6	-179.5	0	0	0	0	111	I143 A151 I174 I177 I182 T185 R186 H187 R192 M193 L194	I143-V190 HydrophobicContact CG2-CB 4.42Å; I143-V190 HydrophobicContact CG2-CG1 4.34Å; A151-V190 HydrophobicContact CB-CB 4.15Å; A151-V190 HydrophobicContact CB-CG1 4.3Å; A151-V190 HydrophobicContact CB-CG2 3.71Å; I174-V190 HydrophobicContact CD1-CG1 3.88Å; I174-V190 HydrophobicContact CG2-CG1 4.45Å; I177-V190 HydrophobicContact CD1-CG1 4.25Å; I182-V190 HydrophobicContact CD1-CG1 4.33Å; I182-V190 HydrophobicContact CD1-CG2 3.65Å; I182-V190 HydrophobicContact CG1-CG2 4.34Å; T185-V190 HydrophobicContact CG2-CG2 3.73Å; R186-V190 PolarHBondContact O-N 2.66Å; R186-V190 VanDerWaalsContact O-N 3.16Å; H187-V190 PolarHBondContact O-N 3.32Å; V190-R192 VanDerWaalsContact C-N 3.33Å; V190-R192 PolarHBondContact O-N 2.98Å; V190-M193 PolarHBondContact O-N 3.03Å; V190-L194 HydrophobicContact CG1-CD1 4.33Å; V190-L194 WeakPolarHBondContact O-CG 3.06Å; V190-L194 PolarHBondContact O-N 3.07Å
191	A	94.9	Very high	94.9	Very high	11 Å²	11	59.9 Å²	59.9	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-43.6	175	0	0	0	0	0	111.4	I143 H187 L194 K195 I274	I143-A191 HydrophobicContact CB-CB 4.36Å; I143-A191 HydrophobicContact CG1-CB 4.19Å; H187-A191 WeakPolarHBondContact O-CB 3.25Å; H187-A191 PolarHBondContact O-N 2.97Å; A191-L194 PolarHBondContact O-N 2.9Å; A191-K195 WeakPolarHBondContact O-CB 3.39Å; A191-K195 PolarHBondContact O-N 2.96Å; A191-I274 HydrophobicContact CB-CG2 3.52Å
192	R	92.8	Very high	95	Very high	164 Å²	164	58.9 Å²	58.9	62%	0.619	31%	0.306	S	S	*	.	H	α-helix	trans	-61.5	-46.4	175.1	-161.6	-176.4	96.5	-165.7	2.8	111.9	Y188 E189 V190 L194 K195 D196	Y188-R192 WeakPolarHBondContact O-CB 3.37Å; Y188-R192 PolarHBondContact O-N 2.98Å; E189-R192 PolarHBondContact O-N 3.03Å; V190-R192 VanDerWaalsContact C-N 3.33Å; V190-R192 PolarHBondContact O-N 2.98Å; R192-L194 VanDerWaalsContact C-N 3.31Å; R192-L194 PolarHBondContact O-N 2.8Å; R192-K195 WeakPolarHBondContact O-CB 3.46Å; R192-K195 PolarHBondContact O-N 3.09Å; R192-K195 VanDerWaalsContact O-N 3.14Å; R192-D196 IonicContact NE-OD2 2.76Å; R192-D196 WeakPolarHBondContact O-CB 3.46Å; R192-D196 PolarHBondContact O-N 3.06Å
193	M	95	Very high	95.1	Very high	43 Å²	43	59.1 Å²	59.1	21%	0.212	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-44.1	177.1	-73.1	171.7	125	0	0	112	I177 I182 E189 V190 D196 L197	I177-M193 HydrophobicContact CD1-CB 4.21Å; I182-M193 HydrophobicContact CG2-CE 4.24Å; I182-M193 HydrophobicContact CG2-SD 4.02Å; E189-M193 WeakPolarHBondContact O-CB 3.44Å; E189-M193 VanDerWaalsContact O-CG 3.22Å; E189-M193 WeakPolarHBondContact O-CG 3.32Å; E189-M193 PolarHBondContact O-N 3.43Å; V190-M193 PolarHBondContact O-N 3.03Å; M193-D196 PolarHBondContact O-N 3.22Å; M193-L197 WeakPolarHBondContact O-CG 3.28Å; M193-L197 PolarHBondContact O-N 3.46Å
194	L	95.9	Very high	95.2	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-39.8	177.2	-69.8	169.8	0	0	0	112.1	K134 L139 L141 I143 I174 I177 V190 A191 R192 L197 F203 I205	K134-L194 PolarHBondContact NZ-O 3.19Å; L139-L194 HydrophobicContact CD1-CB 4.1Å; L139-L194 HydrophobicContact CD1-CD2 3.95Å; L139-L194 HydrophobicContact CD1-CG 4.47Å; L141-L194 HydrophobicContact CD1-CD1 4.17Å; I143-L194 HydrophobicContact CD1-CD1 4.14Å; I143-L194 HydrophobicContact CG1-CD1 4.28Å; I174-L194 HydrophobicContact CD1-CD1 4.12Å; I177-L194 HydrophobicContact CD1-CD2 3.68Å; I177-L194 HydrophobicContact CD1-CG 3.86Å; I177-L194 HydrophobicContact CG1-CD2 4.22Å; V190-L194 HydrophobicContact CG1-CD1 4.33Å; V190-L194 WeakPolarHBondContact O-CG 3.06Å; V190-L194 PolarHBondContact O-N 3.07Å; A191-L194 PolarHBondContact O-N 2.9Å; R192-L194 VanDerWaalsContact C-N 3.31Å; R192-L194 PolarHBondContact O-N 2.8Å; L194-L197 HydrophobicContact CD2-CD1 4.13Å; L194-L197 PolarHBondContact O-N 3.01Å; L194-F203 HydrophobicContact CD2-CE2 4.17Å; L194-I205 HydrophobicContact CD2-CD1 4.35Å
195	K	92.7	Very high	95.4	Very high	137 Å²	137	55.5 Å²	55.5	60%	0.596	27%	0.274	S	S	*	.	H	α-helix	trans	-65	-39.2	175.8	-171.6	177.6	-179	177.6	0	112	K134 A191 R192 L197	K134-K195 PolarHBondContact NZ-O 2.99Å; A191-K195 WeakPolarHBondContact O-CB 3.39Å; A191-K195 PolarHBondContact O-N 2.96Å; R192-K195 WeakPolarHBondContact O-CB 3.46Å; R192-K195 PolarHBondContact O-N 3.09Å; R192-K195 VanDerWaalsContact O-N 3.14Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.81Å
196	D	94.6	Very high	95.5	Very high	105 Å²	105	57.5 Å²	57.5	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-79	-9.1	-177.3	-67.6	-10.8	0	0	0	113.5	R192 M193	R192-D196 IonicContact NE-OD2 2.76Å; R192-D196 WeakPolarHBondContact O-CB 3.46Å; R192-D196 PolarHBondContact O-N 3.06Å; M193-D196 PolarHBondContact O-N 3.22Å
197	L	96.3	Very high	95.8	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.11	27%	0.268	C	S	.	.	S	Bend	trans	-56.6	139.6	174.2	-73.7	169.5	0	0	0	111.1	K134 I177 M193 L194 K195 K199 F203	K134-L197 HydrophobicContact CD-CB 3.79Å; K134-L197 WeakPolarHBondContact CD-O 3.31Å; K134-L197 WeakPolarHBondContact CE-O 3.22Å; K134-L197 PolarHBondContact NZ-O 2.91Å; I177-L197 HydrophobicContact CG2-CD1 4.31Å; I177-L197 HydrophobicContact CG2-CD2 4.35Å; M193-L197 WeakPolarHBondContact O-CG 3.28Å; M193-L197 PolarHBondContact O-N 3.46Å; L194-L197 HydrophobicContact CD2-CD1 4.13Å; L194-L197 PolarHBondContact O-N 3.01Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.81Å; L197-K199 PolarHBondContact O-N 2.82Å; L197-F203 HydrophobicContact CD1-CB 4.16Å; L197-F203 HydrophobicContact CD1-CD1 3.73Å; L197-F203 HydrophobicContact CD1-CD2 3.58Å; L197-F203 HydrophobicContact CD1-CE1 3.93Å; L197-F203 HydrophobicContact CD1-CE2 3.79Å; L197-F203 HydrophobicContact CD1-CG 3.55Å; L197-F203 HydrophobicContact CD1-CZ 3.97Å; L197-F203 HydrophobicContact CD2-CB 4.3Å
198	P	96.4	Very high	96	Very high	81 Å²	81	54.2 Å²	54.2	53%	0.526	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-61.2	130.4	179.8	-21.3	32.2	0	0	0	112.3	T201	P198-T201 HydrophobicContact CB-CG2 3.88Å; P198-T201 PolarHBondContact O-OG1 3.34Å
199	K	96.6	Very high	96.3	Very high	90 Å²	90	53.3 Å²	53.3	39%	0.391	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	150.8	171.7	-168.8	179.7	-169.7	163.3	0	110.6	S135 D137 L197 T201	S135-K199 WeakPolarHBondContact O-CE 3.39Å; D137-K199 WeakPolarHBondContact OD1-CD 3.15Å; D137-K199 IonicContact OD1-NZ 3.05Å; D137-K199 IonicContact OD2-NZ 2.89Å; D137-K199 PolarHBondContact OD2-NZ 2.63Å; L197-K199 PolarHBondContact O-N 2.82Å; K199-T201 PolarHBondContact O-N 3.33Å
200	N	96.5	Very high	96.5	Very high	100 Å²	100	49.3 Å²	49.3	54%	0.535	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	30.2	-177.2	-54.9	-48.2	0	0	0	113.7	Y133 K134	Y133-N200 WeakPolarHBondContact OH-CA 3.23Å; Y133-N200 PolarHBondContact OH-OD1 2.92Å; K134-N200 WeakPolarHBondContact O-CA 3.24Å; K134-N200 PolarHBondContact O-N 2.86Å
201	T	97.4	Very high	96.5	Very high	57 Å²	57	52.5 Å²	52.5	35%	0.35	26%	0.263	S	S	.	.			trans	-128	153.3	173.8	69.2	0	0	0	0	110.9	K134 P198 K199	K134-T201 PolarHBondContact N-O 3.07Å; P198-T201 HydrophobicContact CB-CG2 3.88Å; P198-T201 PolarHBondContact O-OG1 3.34Å; K199-T201 PolarHBondContact O-N 3.33Å
202	T	97.8	Very high	96.2	Very high	77 Å²	77	57.4 Å²	57.4	47%	0.472	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138	171	-54.4	0	0	0	0	109.5	E131 V132	E131-T202 HydrophobicContact CB-CG2 3.88Å; E131-T202 HydrophobicContact CG-CG2 4.25Å; V132-T202 VanDerWaalsContact O-CA 3.3Å; V132-T202 WeakPolarHBondContact O-CA 3.39Å
203	F	98	Very high	95.6	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.022	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.9	170.7	70	-84	0	0	0	110.1	E131 V132 K134 L139 I177 N178 L194 L197 I205	E131-F203 WeakPolarHBondContact CA-O 3.45Å; V132-F203 HydrophobicContact CB-CD1 4.18Å; V132-F203 HydrophobicContact CB-CE1 3.59Å; V132-F203 HydrophobicContact CB-CE2 4.21Å; V132-F203 HydrophobicContact CB-CZ 3.6Å; V132-F203 HydrophobicContact CG1-CE1 3.63Å; V132-F203 HydrophobicContact CG1-CZ 3.76Å; V132-F203 HydrophobicContact CG2-CE2 4.5Å; V132-F203 HydrophobicContact CG2-CZ 4.18Å; V132-F203 PolarHBondContact N-O 3.33Å; V132-F203 VanDerWaalsContact O-CD1 3.27Å; V132-F203 WeakPolarHBondContact O-CD1 3.48Å; V132-F203 PolarHBondContact O-N 2.96Å; K134-F203 HydrophobicContact CB-CD1 4.3Å; K134-F203 HydrophobicContact CB-CE1 4.16Å; L139-F203 HydrophobicContact CD1-CE1 4.14Å; L139-F203 HydrophobicContact CD1-CE2 4.43Å; L139-F203 HydrophobicContact CD1-CZ 3.55Å; L139-F203 HydrophobicContact CD2-CE1 3.91Å; L139-F203 HydrophobicContact CD2-CZ 4.07Å; L139-F203 HydrophobicContact CG-CZ 4.48Å; I177-F203 HydrophobicContact CG2-CD2 4.48Å; N178-F203 VanDerWaalsContact OD1-CA 3.29Å; N178-F203 WeakPolarHBondContact OD1-CA 3.5Å; N178-F203 VanDerWaalsContact OD1-CB 3.26Å; N178-F203 WeakPolarHBondContact OD1-CB 3.2Å; L194-F203 HydrophobicContact CD2-CE2 4.17Å; L197-F203 HydrophobicContact CD1-CB 4.16Å; L197-F203 HydrophobicContact CD1-CD1 3.73Å; L197-F203 HydrophobicContact CD1-CD2 3.58Å; L197-F203 HydrophobicContact CD1-CE1 3.93Å; L197-F203 HydrophobicContact CD1-CE2 3.79Å; L197-F203 HydrophobicContact CD1-CG 3.55Å; L197-F203 HydrophobicContact CD1-CZ 3.97Å; L197-F203 HydrophobicContact CD2-CB 4.3Å; F203-I205 HydrophobicContact CE2-CB 4.2Å
204	T	98	Very high	94.3	Very high	36 Å²	36	58 Å²	58	22%	0.221	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138	175.7	49.4	0	0	0	0	110.3	V130 E131 N178	V130-T204 WeakPolarHBondContact O-CA 3.24Å; E131-T204 HydrophobicContact CG-CG2 3.71Å; N178-T204 WeakPolarHBondContact CA-OG1 3.19Å; N178-T204 PolarHBondContact N-O 2.75Å; N178-T204 PolarHBondContact OD1-N 3.4Å
205	I	98.1	Very high	92.3	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.3	173	-165.9	168.7	0	0	0	109.7	V130 V132 I174 C176 L194 F203 L207	V130-I205 HydrophobicContact CB-CG2 4.05Å; V130-I205 PolarHBondContact N-O 2.83Å; V130-I205 PolarHBondContact O-N 2.77Å; V132-I205 HydrophobicContact CG2-CG2 4.23Å; I174-I205 HydrophobicContact CD1-CD1 4.36Å; I174-I205 HydrophobicContact CG1-CD1 4.22Å; I174-I205 HydrophobicContact CG2-CD1 3.93Å; I174-I205 HydrophobicContact CG2-CG1 4.03Å; C176-I205 WeakPolarHBondContact O-CA 3.4Å; L194-I205 HydrophobicContact CD2-CD1 4.35Å; F203-I205 HydrophobicContact CE2-CB 4.2Å; I205-L207 HydrophobicContact CD1-CD2 3.78Å; I205-L207 HydrophobicContact CG1-CD2 3.8Å; I205-L207 HydrophobicContact CG1-CG 4.23Å; I205-L207 HydrophobicContact CG2-CD1 4.39Å; I205-L207 HydrophobicContact CG2-CG 4.32Å
206	K	98.4	Very high	89.9	Confident	67 Å²	67	68.7 Å²	68.7	29%	0.291	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.2	172.1	-65.6	-175.2	174.7	-172.6	0	108.8	K128 E129 E175 C176	K128-K206 CarbonylContact O-C 3.57Å; K128-K206 WeakPolarHBondContact O-CA 3.18Å; E129-K206 HydrophobicContact CB-CG 4.36Å; E129-K206 HydrophobicContact CG-CG 4.15Å; E129-K206 WeakPolarHBondContact OE1-CE 3.41Å; E129-K206 IonicContact OE1-NZ 3.5Å; E129-K206 WeakPolarHBondContact OE2-CE 3.47Å; E129-K206 IonicContact OE2-NZ 3.95Å; E129-K206 PolarHBondContact OE2-NZ 3.2Å; E175-K206 HydrophobicContact CB-CB 4.4Å; E175-K206 PolarHBondContact N-O 2.99Å; C176-K206 HydrophobicContact CB-CB 3.91Å; C176-K206 HydrophobicContact CB-CD 4.11Å; C176-K206 HydrophobicContact CB-CG 4.13Å; C176-K206 PolarHBondContact N-O 2.98Å; C176-K206 PolarHBondContact O-N 3.23Å
207	L	98.4	Very high	87.5	Confident	1 Å²	1	71 Å²	71	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.6	-176.1	-59.6	174.7	0	0	0	110.2	K127 K128 I168 D172 H173 I174 I205	K127-L207 CarbonylContact C-O 3.52Å; K127-L207 WeakPolarHBondContact CA-O 3.37Å; K128-L207 HydrophobicContact CB-CB 4.31Å; K128-L207 PolarHBondContact N-O 3.35Å; K128-L207 PolarHBondContact O-N 3.4Å; I168-L207 HydrophobicContact CB-CD1 4.33Å; I168-L207 HydrophobicContact CG1-CD1 3.87Å; I168-L207 HydrophobicContact CG2-CD1 4.14Å; D172-L207 HydrophobicContact CB-CB 4.22Å; D172-L207 HydrophobicContact CB-CD1 4.29Å; D172-L207 HydrophobicContact CB-CD2 4.29Å; H173-L207 CarbonylContact O-C 3.56Å; H173-L207 WeakPolarHBondContact O-CA 3.45Å; I174-L207 HydrophobicContact CB-CD2 4.31Å; I174-L207 HydrophobicContact CG1-CD2 3.76Å; I205-L207 HydrophobicContact CD1-CD2 3.78Å; I205-L207 HydrophobicContact CG1-CD2 3.8Å; I205-L207 HydrophobicContact CG1-CG 4.23Å; I205-L207 HydrophobicContact CG2-CD1 4.39Å; I205-L207 HydrophobicContact CG2-CG 4.32Å
208	I	98.3	Very high	84.7	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.005	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.2	168.3	-48.5	-175.6	0	0	0	108	K124 I126 K127 H173 E175	K124-I208 HydrophobicContact CB-CG2 3.89Å; K124-I208 HydrophobicContact CD-CD1 4Å; K124-I208 HydrophobicContact CG-CD1 4.41Å; K124-I208 HydrophobicContact CG-CG2 3.96Å; I126-I208 WeakPolarHBondContact O-CA 3.13Å; K127-I208 HydrophobicContact CG-CG1 4.25Å; H173-I208 HydrophobicContact CB-CB 4.38Å; H173-I208 PolarHBondContact N-O 3.38Å; H173-I208 PolarHBondContact O-N 2.9Å; E175-I208 HydrophobicContact CB-CD1 4.33Å; E175-I208 HydrophobicContact CB-CG1 4.23Å; E175-I208 HydrophobicContact CG-CD1 4.43Å
209	E	97.4	Very high	82.1	Confident	28 Å²	28	79.8 Å²	79.8	13%	0.131	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.5	176.2	-170.1	169.1	154	0	0	110.3	G125 I126 K128 D172 K212	G125-E209 CarbonylContact C-O 3.55Å; G125-E209 WeakPolarHBondContact CA-O 3.28Å; G125-E209 PolarHBondContact N-O 2.7Å; I126-E209 PolarHBondContact N-O 2.97Å; I126-E209 PolarHBondContact O-N 2.88Å; K128-E209 IonicContact NZ-OE2 3.72Å; K128-E209 PolarHBondContact NZ-OE2 2.76Å; D172-E209 WeakPolarHBondContact OD1-CA 3.2Å; E209-K212 WeakPolarHBondContact OE1-CE 3.25Å; E209-K212 IonicContact OE1-NZ 2.85Å; E209-K212 PolarHBondContact OE1-NZ 2.84Å
210	P	97.4	Very high	79.4	Confident	2 Å²	2	87.6 Å²	87.6	1%	0.013	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	139.4	169	-23.4	34.6	0	0	0	111.4	L94 F95 I103 H122 I123 G171 K212	L94-P210 HydrophobicContact CD1-CB 4.24Å; L94-P210 HydrophobicContact CD1-CG 3.96Å; F95-P210 HydrophobicContact CE1-CG 3.71Å; F95-P210 HydrophobicContact CZ-CB 4.46Å; F95-P210 HydrophobicContact CZ-CG 3.81Å; I103-P210 HydrophobicContact CD1-CB 3.98Å; I103-P210 HydrophobicContact CD1-CG 3.96Å; H122-P210 HydrophobicContact CB-CB 4.28Å; I123-P210 CarbonylContact O-C 3.5Å; I123-P210 WeakPolarHBondContact O-CA 3.22Å; G171-P210 VanDerWaalsContact O-CD 3.31Å; G171-P210 WeakPolarHBondContact O-CD 3.32Å; G171-P210 VanDerWaalsContact O-CG 3.22Å; G171-P210 WeakPolarHBondContact O-CG 3.38Å; P210-K212 PolarHBondContact O-N 3.03Å; P210-K212 VanDerWaalsContact O-N 3.13Å
211	M	95.9	Very high	77	Confident	68 Å²	68	87.1 Å²	87.1	34%	0.335	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-61.3	119.7	173.3	-167.9	172.8	-170.9	0	0	109.3	H62 I123	H62-M211 HydrophobicContact CB-CB 4.16Å; H62-M211 HydrophobicContact CB-CG 3.8Å; H62-M211 HydrophobicContact CB-SD 4.26Å; I123-M211 HydrophobicContact CD1-SD 4.02Å; I123-M211 HydrophobicContact CG1-CB 3.93Å; I123-M211 HydrophobicContact CG1-SD 4.35Å; I123-M211 PolarHBondContact O-N 3.46Å
212	K	88.1	Confident	74.3	Confident	114 Å²	114	94.7 Å²	94.7	50%	0.496	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-86.8	145.2	177.1	-70	172.3	174.7	163.4	0	109.8	E209 P210	E209-K212 WeakPolarHBondContact OE1-CE 3.25Å; E209-K212 IonicContact OE1-NZ 2.85Å; E209-K212 PolarHBondContact OE1-NZ 2.84Å; P210-K212 PolarHBondContact O-N 3.03Å; P210-K212 VanDerWaalsContact O-N 3.13Å
213	A	81.4	Confident	71.5	Confident	43 Å²	43	94 Å²	94	36%	0.355	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-61.1	138	167.7	0	0	0	0	0	109	H62 E215	H62-A213 WeakPolarHBondContact O-CA 3.29Å; A213-E215 PolarHBondContact O-N 3.38Å
214	F	66.2	Low	68.8	Low	175 Å²	175	99.4 Å²	99.4	77%	0.768	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-64	118.7	168.7	-72.4	-86.7	0	0	0	107.9	M216	F214-M216 PolarHBondContact O-N 3.37Å
215	E	54.9	Low	66.1	Low	194 Å²	194	106.9 Å²	106.9	91%	0.907	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	1.7	178.5	-65.8	-178	162.6	0	0	113.8	A213	A213-E215 PolarHBondContact O-N 3.38Å
216	M	41.7	Very low	63.2	Low	176 Å²	176	112.8 Å²	112.8	87%	0.867	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	2.8	-172.8	-73.8	-163.6	153.3	0	0	116.3	F214	F214-M216 PolarHBondContact O-N 3.37Å
217	L	43.6	Very low	60.2	Low	152 Å²	152	112.6 Å²	112.6	80%	0.796	60%	0.596	S	S	*	*			trans	-139.3	77.3	172.7	-75.1	168.2	0	0	0	110.3	P219	L217-P219 WeakPolarHBondContact O-CD 3.49Å; L217-P219 VanDerWaalsContact O-N 3.15Å
218	E	37.7	Very low	57.7	Low	178 Å²	178	120 Å²	120	83%	0.832	64%	0.636	S	S	*	*			trans	-53.1	117.2	155.1	-75.8	-170.7	147.9	0	0	108.3	R220	E218-R220 PolarHBondContact O-N 2.94Å
219	P	41.3	Very low	54.9	Low	109 Å²	109	126.6 Å²	126.6	71%	0.708	67%	0.671	S	S	*	*			trans	-64.4	115.6	167.9	-16.1	31.6	0	0	0	107.4	L217 S221	L217-P219 WeakPolarHBondContact O-CD 3.49Å; L217-P219 VanDerWaalsContact O-N 3.15Å; P219-S221 PolarHBondContact O-N 2.98Å
220	R	40.8	Very low	52.5	Low	255 Å²	255	132.3 Å²	132.3	96%	0.962	70%	0.703	S	S	*	*			trans	-68.1	61.8	162.4	-73.7	-176.1	175	141.4	-1	109.9	E218	E218-R220 PolarHBondContact O-N 2.94Å
221	S	45.2	Very low	49.7	Very low	90 Å²	90	141.6 Å²	141.6	63%	0.629	74%	0.743	S	S	*	*			trans	-106.7	99.2	162.7	53.4	0	0	0	0	107.3	P219 G223	P219-S221 PolarHBondContact O-N 2.98Å; S221-G223 PolarHBondContact O-N 3.05Å
222	K	42.4	Very low	46.9	Very low	216 Å²	216	146.6 Å²	146.6	94%	0.939	77%	0.769	S	S	*	*			trans	-61.6	74.4	150.9	-74	-177.7	176.1	179.2	0	107.4
223	G	39.3	Very low	44.8	Very low	61 Å²	61	143.9 Å²	143.9	63%	0.629	77%	0.774	S	S	*	*			trans	-78.4	123.1	165.1	0	0	0	0	0	107.1	S221 K225	S221-G223 PolarHBondContact O-N 3.05Å; G223-K225 PolarHBondContact O-N 3.32Å
224	S	40.8	Very low	43.1	Very low	119 Å²	119	149 Å²	149	83%	0.832	80%	0.801	S	S	*	*			trans	-44.1	128.1	175	-71.8	0	0	0	0	110.7
225	K	40.4	Very low	42.5	Very low	194 Å²	194	143.6 Å²	143.6	84%	0.843	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-46.8	126.9	160.1	-81	179.4	171.5	-179.5	0	107.8	G223 G227	G223-K225 PolarHBondContact O-N 3.32Å; K225-G227 PolarHBondContact O-N 2.79Å
226	P	38.5	Very low	43.2	Very low	125 Å²	125	142.2 Å²	142.2	81%	0.812	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-59.7	126.1	156.4	25.3	-26.4	0	0	0	106	N228	P226-N228 PolarHBondContact O-N 3.05Å
227	G	35.3	Very low	45.1	Very low	64 Å²	64	135.8 Å²	135.8	66%	0.66	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-53.8	126.7	-177.3	0	0	0	0	0	109.8	K225 D229	K225-G227 PolarHBondContact O-N 2.79Å; G227-D229 PolarHBondContact O-N 3.33Å
228	N	45.5	Very low	47.2	Very low	155 Å²	155	128.9 Å²	128.9	83%	0.829	72%	0.717	S	S	*	*			trans	-73.5	78	166	-166.3	56.8	0	0	0	107.2	P226 N230	P226-N228 PolarHBondContact O-N 3.05Å; N228-N230 PolarHBondContact O-N 3.12Å
229	D	39.1	Very low	49.7	Very low	140 Å²	140	120.8 Å²	120.8	75%	0.749	68%	0.68	S	S	*	*			trans	-81.7	111.6	167.9	-86.5	-27.3	0	0	0	107.9	G227 K231	G227-D229 PolarHBondContact O-N 3.33Å; D229-K231 PolarHBondContact O-N 3.27Å
230	N	46.5	Very low	51.9	Low	149 Å²	149	115.7 Å²	115.7	80%	0.797	65%	0.646	S	S	*	*			trans	-40.8	109.1	158.9	-105.6	2.6	0	0	0	109.6	N228	N228-N230 PolarHBondContact O-N 3.12Å
231	K	38.3	Very low	54.1	Low	196 Å²	196	103.6 Å²	103.6	85%	0.852	60%	0.601	S	S	*	*			trans	-126.8	102.2	162.2	-88.8	-174.7	177.2	178.2	0	109.4	D229 G233	D229-K231 PolarHBondContact O-N 3.27Å; K231-G233 PolarHBondContact O-N 2.84Å
232	I	37.3	Very low	56	Low	173 Å²	173	102.1 Å²	102.1	89%	0.887	58%	0.582	S	S	*	*			trans	-66.3	118.6	160	-67.5	162.4	0	0	0	106.8
233	G	44.1	Very low	57.6	Low	58 Å²	58	95.3 Å²	95.3	60%	0.598	56%	0.561	S	S	*	*			trans	102.7	130.7	154.3	0	0	0	0	0	119	K231	K231-G233 PolarHBondContact O-N 2.84Å
234	T	45.4	Very low	59.2	Low	151 Å²	151	98.8 Å²	98.8	93%	0.926	56%	0.559	S	S	*	*	S	Bend	trans	79	98	146	68.7	0	0	0	0	119.7
235	G	53.4	Low	60.8	Low	61 Å²	61	95.6 Å²	95.6	63%	0.629	55%	0.545	S	S	*	.			trans	93.6	52.4	146.7	0	0	0	0	0	117.3	S237	G235-S237 PolarHBondContact O-N 3.09Å
236	R	71.2	Confident	62.6	Low	164 Å²	164	91 Å²	91	62%	0.619	54%	0.535	S	S	*	.			trans	-76.9	115.8	161.1	-88.9	-175.2	153.5	132.4	-2.8	108.3	E116 E252	E116-R236 IonicContact OE2-CZ 3.91Å; E116-R236 IonicContact OE2-NE 3.89Å; E116-R236 IonicContact OE2-NH2 3.53Å; E116-R236 PolarHBondContact OE2-NH2 2.74Å; R236-E252 WeakPolarHBondContact CB-OE2 3.15Å; R236-E252 VanDerWaalsContact O-CB 3.31Å; R236-E252 WeakPolarHBondContact O-CB 3.25Å; R236-E252 PolarHBondContact O-N 2.92Å
237	S	81.9	Confident	64.8	Low	42 Å²	42	86.2 Å²	86.2	29%	0.294	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	149.6	172.3	-53.5	0	0	0	0	110.2	L115 G235 E250	L115-S237 WeakPolarHBondContact CG-O 3.49Å; G235-S237 PolarHBondContact O-N 3.09Å; S237-E250 CarbonylContact C-O 3.56Å; S237-E250 VanDerWaalsContact CA-O 3.3Å; S237-E250 WeakPolarHBondContact CA-O 3.33Å
238	T	86.9	Confident	67.3	Low	6 Å²	6	85.5 Å²	85.5	4%	0.037	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.8	175.1	67.3	0	0	0	0	109.3	I113 V249 E250 E252	I113-T238 CarbonylContact O-C 3.5Å; T238-V249 WeakPolarHBondContact O-CA 3.48Å; T238-E250 PolarHBondContact N-O 2.97Å; T238-E250 PolarHBondContact O-N 3.23Å; T238-E252 HydrophobicContact CG2-CB 3.92Å; T238-E252 HydrophobicContact CG2-CG 4.1Å
239	L	89.1	Confident	69.2	Low	9 Å²	9	82 Å²	82	5%	0.047	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.9	166.6	179.5	65.1	0	0	0	108.2	L54 F56 F72 Q112 I113 L241 A247 V249	L54-L239 HydrophobicContact CD1-CD1 3.91Å; L54-L239 HydrophobicContact CD1-CD2 4.48Å; F56-L239 HydrophobicContact CE2-CD2 3.73Å; F56-L239 HydrophobicContact CZ-CB 4.05Å; F56-L239 HydrophobicContact CZ-CD2 3.72Å; F72-L239 HydrophobicContact CD2-CD2 4.36Å; F72-L239 HydrophobicContact CE2-CD2 3.56Å; F72-L239 HydrophobicContact CZ-CD2 4.03Å; Q112-L239 WeakPolarHBondContact CA-O 3.4Å; I113-L239 HydrophobicContact CB-CB 4.46Å; I113-L239 PolarHBondContact N-O 2.77Å; I113-L239 PolarHBondContact O-N 3.04Å; L239-L241 HydrophobicContact CD2-CD2 4.16Å; L239-L241 HydrophobicContact CG-CD2 4.16Å; L239-A247 HydrophobicContact CD1-CB 3.85Å; L239-V249 HydrophobicContact CD1-CG2 4.49Å
240	R	89.4	Confident	71.5	Confident	1 Å²	1	78.2 Å²	78.2	0%	0.004	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118	175.6	-173	148	178.6	54.6	2.4	110.4	G111 Q112 R242 A247 T248 E250 E285	G111-R240 CarbonylContact O-C 3.6Å; G111-R240 WeakPolarHBondContact O-CA 3.48Å; Q112-R240 HydrophobicContact CG-CG 4.45Å; R240-R242 HydrophobicContact CG-CG 4.1Å; R240-A247 WeakPolarHBondContact O-CA 3.37Å; R240-A247 WeakPolarHBondContact O-CB 3.18Å; R240-T248 PolarHBondContact N-O 2.81Å; R240-T248 PolarHBondContact O-N 2.77Å; R240-T248 VanDerWaalsContact O-N 3.13Å; R240-E250 VanDerWaalsContact CD-OE2 3.29Å; R240-E250 WeakPolarHBondContact CD-OE2 3.34Å; R240-E285 IonicContact CZ-OE1 2.84Å; R240-E285 IonicContact NE-OE1 3.03Å; R240-E285 PolarHBondContact NE-OE1 2.84Å; R240-E285 IonicContact NH2-OE1 3.78Å; R240-E285 PolarHBondContact NH2-OE1 2.88Å
241	L	86.5	Confident	73.2	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.01	44%	0.443	C	S	.	.			trans	-96.3	111.2	172.2	-56.6	-177.9	0	0	0	108.5	F72 V75 L78 G111 I113 L239 A247	F72-L241 HydrophobicContact CD2-CD2 4.25Å; F72-L241 HydrophobicContact CE2-CD2 4.29Å; V75-L241 HydrophobicContact CG2-CB 4.34Å; V75-L241 HydrophobicContact CG2-CD1 3.87Å; L78-L241 HydrophobicContact CD2-CD1 4.25Å; G111-L241 PolarHBondContact O-N 2.87Å; I113-L241 HydrophobicContact CD1-CD1 3.76Å; I113-L241 HydrophobicContact CD1-CG 4.45Å; I113-L241 HydrophobicContact CG1-CD1 4.38Å; L239-L241 HydrophobicContact CD2-CD2 4.16Å; L239-L241 HydrophobicContact CG-CD2 4.16Å; L241-A247 HydrophobicContact CD2-CB 3.75Å
242	R	84	Confident	75.2	Confident	59 Å²	59	72 Å²	72	22%	0.223	42%	0.424	C	S	.	.			trans	-94.9	146.3	-179.8	-61.5	177.5	176.7	-81.1	-0.3	110.3	R240 K244 E250 E285	R240-R242 HydrophobicContact CG-CG 4.1Å; R242-K244 VanDerWaalsContact C-N 3.3Å; R242-E250 IonicContact CZ-OE1 2.7Å; R242-E250 IonicContact NE-OE1 3.19Å; R242-E250 IonicContact NH2-OE1 3.45Å; R242-E250 PolarHBondContact NH2-OE1 3.26Å; R242-E250 IonicContact NH2-OE2 3.65Å; R242-E250 PolarHBondContact NH2-OE2 2.78Å; R242-E285 IonicContact CZ-OE1 3.33Å; R242-E285 IonicContact CZ-OE2 3.95Å; R242-E285 IonicContact NH1-OE1 2.81Å; R242-E285 PolarHBondContact NH1-OE1 2.76Å; R242-E285 IonicContact NH1-OE2 2.7Å; R242-E285 PolarHBondContact NH1-OE2 3.06Å; R242-E285 IonicContact NH2-OE1 3.63Å; R242-E285 IonicContact NH2-OE2 3.4Å
243	S	76.4	Confident	77.2	Confident	73 Å²	73	64.8 Å²	64.8	51%	0.51	39%	0.388	S	S	.	.	S	Bend	trans	-67.2	-34.7	171.4	54.8	0	0	0	0	111.7	E278	S243-E278 WeakPolarHBondContact CB-OE1 3.4Å; S243-E278 VanDerWaalsContact CB-OE2 3.25Å; S243-E278 WeakPolarHBondContact CB-OE2 3.32Å; S243-E278 PolarHBondContact N-OE1 3.01Å; S243-E278 VanDerWaalsContact OG-CD 3.31Å; S243-E278 PolarHBondContact OG-OE1 3.43Å; S243-E278 PolarHBondContact OG-OE2 2.95Å
244	K	73.1	Confident	79	Confident	133 Å²	133	65.5 Å²	65.5	58%	0.578	38%	0.381	S	S	*	.	S	Bend	trans	-120.7	114.5	173.6	-63.9	-178.4	-179.1	177.7	0	109.9	R242 S303	R242-K244 VanDerWaalsContact C-N 3.3Å; K244-S303 PolarHBondContact NZ-O 3.45Å
245	G	75.4	Confident	80.7	Confident	52 Å²	52	65.8 Å²	65.8	54%	0.536	37%	0.372	S	S	.	.	S	Bend	trans	109	174.7	176.2	0	0	0	0	0	114.7
246	P	76.9	Confident	82.1	Confident	97 Å²	97	66.2 Å²	66.2	63%	0.63	36%	0.357	S	S	*	.			trans	-75.6	154.1	-179	31.9	-34.9	0	0	0	112
247	A	85.2	Confident	82.7	Confident	25 Å²	25	59.5 Å²	59.5	21%	0.207	33%	0.333	C	S	.	.			trans	-63.4	141	170.2	0	0	0	0	0	112.5	T73 L239 R240 L241	T73-A247 VanDerWaalsContact O-CB 3.28Å; T73-A247 WeakPolarHBondContact O-CB 3.27Å; T73-A247 PolarHBondContact O-N 3.41Å; L239-A247 HydrophobicContact CD1-CB 3.85Å; R240-A247 WeakPolarHBondContact O-CA 3.37Å; R240-A247 WeakPolarHBondContact O-CB 3.18Å; L241-A247 HydrophobicContact CD2-CB 3.75Å
248	T	87.4	Confident	83	Confident	50 Å²	50	62.1 Å²	62.1	31%	0.307	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.2	-177.8	43	0	0	0	0	110.3	R240 E250	R240-T248 PolarHBondContact N-O 2.81Å; R240-T248 PolarHBondContact O-N 2.77Å; R240-T248 VanDerWaalsContact O-N 3.13Å; T248-E250 PolarHBondContact OG1-OE1 2.89Å
249	V	86.5	Confident	83.1	Confident	82 Å²	82	66.5 Å²	66.5	50%	0.497	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.9	168.2	-178.8	0	0	0	0	106.9	L54 T238 L239	L54-V249 HydrophobicContact CD1-CG2 3.65Å; T238-V249 WeakPolarHBondContact O-CA 3.48Å; L239-V249 HydrophobicContact CD1-CG2 4.49Å
250	E	85.5	Confident	83.2	Confident	60 Å²	60	66.1 Å²	66.1	28%	0.28	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	161.4	-176.3	-65.5	179.7	-165.2	0	0	109.4	S237 T238 R240 R242 T248	S237-E250 CarbonylContact C-O 3.56Å; S237-E250 VanDerWaalsContact CA-O 3.3Å; S237-E250 WeakPolarHBondContact CA-O 3.33Å; T238-E250 PolarHBondContact N-O 2.97Å; T238-E250 PolarHBondContact O-N 3.23Å; R240-E250 VanDerWaalsContact CD-OE2 3.29Å; R240-E250 WeakPolarHBondContact CD-OE2 3.34Å; R242-E250 IonicContact CZ-OE1 2.7Å; R242-E250 IonicContact NE-OE1 3.19Å; R242-E250 IonicContact NH2-OE1 3.45Å; R242-E250 PolarHBondContact NH2-OE1 3.26Å; R242-E250 IonicContact NH2-OE2 3.65Å; R242-E250 PolarHBondContact NH2-OE2 2.78Å; T248-E250 PolarHBondContact OG1-OE1 2.89Å
251	D	83.4	Confident	83.3	Confident	120 Å²	120	67.1 Å²	67.1	64%	0.642	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	147.3	167.1	-67.5	-39.8	0	0	0	109.2
252	E	79.5	Confident	83.6	Confident	95 Å²	95	73.3 Å²	73.3	44%	0.444	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-51.8	139.1	171.6	-168.2	167.3	-153.4	0	0	110.2	R236 T238 T254	R236-E252 WeakPolarHBondContact CB-OE2 3.15Å; R236-E252 VanDerWaalsContact O-CB 3.31Å; R236-E252 WeakPolarHBondContact O-CB 3.25Å; R236-E252 PolarHBondContact O-N 2.92Å; T238-E252 HydrophobicContact CG2-CB 3.92Å; T238-E252 HydrophobicContact CG2-CG 4.1Å; E252-T254 PolarHBondContact O-N 3.01Å
253	P	79.3	Confident	84	Confident	21 Å²	21	73.8 Å²	73.8	14%	0.136	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-51.2	143.8	176.9	-27.9	36.5	0	0	0	111.3	Q112 D257 E258	Q112-P253 VanDerWaalsContact OE1-CD 3.32Å; Q112-P253 VanDerWaalsContact OE1-CG 3.23Å; P253-D257 HydrophobicContact CB-CB 3.9Å; P253-E258 HydrophobicContact CB-CG 4.02Å
254	T	83.1	Confident	84.9	Confident	72 Å²	72	70.3 Å²	70.3	44%	0.442	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-64.5	152.8	173.6	63	0	0	0	0	109.5	E252 F256 D257 E258	E252-T254 PolarHBondContact O-N 3.01Å; T254-F256 CarbonylContact O-C 3.6Å; T254-F256 PolarHBondContact O-N 2.76Å; T254-F256 WeakPolarHBondContact OG1-CB 3.37Å; T254-D257 PolarHBondContact N-OD2 3.05Å; T254-D257 WeakPolarHBondContact O-CA 3.34Å; T254-D257 WeakPolarHBondContact O-CB 3.47Å; T254-D257 PolarHBondContact O-N 2.75Å; T254-D257 PolarHBondContact OG1-N 3.13Å; T254-D257 PolarHBondContact OG1-OD2 2.98Å; T254-E258 PolarHBondContact O-N 2.87Å
255	E	81.6	Confident	85.9	Confident	158 Å²	158	64.2 Å²	64.2	74%	0.738	34%	0.342	S	S	*	.	H	α-helix	trans	-51.2	-30.3	175.3	-67.7	-175.5	170.1	0	0	112.1	K259	E255-K259 WeakPolarHBondContact O-CG 3.46Å; E255-K259 PolarHBondContact O-N 3.14Å; E255-K259 VanDerWaalsContact O-N 3.11Å
256	F	81.3	Confident	86.8	Confident	70 Å²	70	64.8 Å²	64.8	31%	0.307	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-50.7	172	168.4	-81.3	0	0	0	113.1	T254 E258 K259 A260 A324 K325	T254-F256 CarbonylContact O-C 3.6Å; T254-F256 PolarHBondContact O-N 2.76Å; T254-F256 WeakPolarHBondContact OG1-CB 3.37Å; F256-E258 VanDerWaalsContact C-N 3.3Å; F256-E258 PolarHBondContact O-N 3.44Å; F256-K259 PolarHBondContact O-N 3.39Å; F256-A260 PolarHBondContact O-N 2.87Å; F256-A324 HydrophobicContact CD2-CB 4.24Å; F256-A324 WeakPolarHBondContact CD2-O 3.47Å; F256-A324 HydrophobicContact CE1-CB 4.06Å; F256-A324 HydrophobicContact CE2-CB 3.76Å; F256-A324 WeakPolarHBondContact CE2-O 2.82Å; F256-A324 HydrophobicContact CZ-CB 3.55Å; F256-K325 HydrophobicContact CE2-CB 4.42Å; F256-K325 HydrophobicContact CE2-CG 4.42Å; F256-K325 HydrophobicContact CZ-CB 4.14Å; F256-K325 HydrophobicContact CZ-CG 3.67Å
257	D	84.8	Confident	87.6	Confident	22 Å²	22	61.7 Å²	61.7	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-41.5	-178.4	-66.2	-45.6	0	0	0	108.6	P253 T254 K259 A260 I261	P253-D257 HydrophobicContact CB-CB 3.9Å; T254-D257 PolarHBondContact N-OD2 3.05Å; T254-D257 WeakPolarHBondContact O-CA 3.34Å; T254-D257 WeakPolarHBondContact O-CB 3.47Å; T254-D257 PolarHBondContact O-N 2.75Å; T254-D257 PolarHBondContact OG1-N 3.13Å; T254-D257 PolarHBondContact OG1-OD2 2.98Å; D257-K259 VanDerWaalsContact C-N 3.35Å; D257-K259 PolarHBondContact O-N 3.5Å; D257-A260 PolarHBondContact O-N 2.74Å; D257-I261 WeakPolarHBondContact O-CB 3.38Å; D257-I261 WeakPolarHBondContact O-CD1 3.44Å; D257-I261 WeakPolarHBondContact O-CG1 3.4Å; D257-I261 PolarHBondContact O-N 2.94Å
258	E	87.1	Confident	88.1	Confident	97 Å²	97	60.5 Å²	60.5	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-57.6	-45.3	175.5	-64.6	-174.3	156.5	0	0	112.4	P253 T254 F256 I261 K262	P253-E258 HydrophobicContact CB-CG 4.02Å; T254-E258 PolarHBondContact O-N 2.87Å; F256-E258 VanDerWaalsContact C-N 3.3Å; F256-E258 PolarHBondContact O-N 3.44Å; E258-I261 PolarHBondContact O-N 3.33Å; E258-K262 WeakPolarHBondContact O-CB 3.47Å; E258-K262 PolarHBondContact O-N 3.42Å
259	K	88.9	Confident	88.3	Confident	99 Å²	99	59.7 Å²	59.7	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-41.5	176.6	-74.9	-179.8	176.5	-172.5	0	112.1	E255 F256 D257 K262 K263 I329	E255-K259 WeakPolarHBondContact O-CG 3.46Å; E255-K259 PolarHBondContact O-N 3.14Å; E255-K259 VanDerWaalsContact O-N 3.11Å; F256-K259 PolarHBondContact O-N 3.39Å; D257-K259 VanDerWaalsContact C-N 3.35Å; D257-K259 PolarHBondContact O-N 3.5Å; K259-K262 PolarHBondContact O-N 3.03Å; K259-K263 WeakPolarHBondContact O-CG 3.48Å; K259-K263 PolarHBondContact O-N 3.29Å; K259-I329 HydrophobicContact CB-CD1 3.62Å; K259-I329 HydrophobicContact CB-CG1 4.18Å; K259-I329 HydrophobicContact CD-CD1 4.44Å; K259-I329 HydrophobicContact CD-CG1 4.1Å; K259-I329 PolarHBondContact NZ-O 3.44Å
260	A	91.1	Very high	88.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-47.4	176.6	0	0	0	0	0	110.9	F256 D257 K262 K263 V264 V284 A324	F256-A260 PolarHBondContact O-N 2.87Å; D257-A260 PolarHBondContact O-N 2.74Å; A260-K262 VanDerWaalsContact C-N 3.33Å; A260-K262 PolarHBondContact O-N 3.26Å; A260-K263 PolarHBondContact O-N 3.02Å; A260-V264 WeakPolarHBondContact O-CG2 3.39Å; A260-V264 PolarHBondContact O-N 3.48Å; A260-V284 HydrophobicContact CB-CG1 3.98Å; A260-V284 HydrophobicContact CB-CG2 3.93Å; A260-A324 HydrophobicContact CB-CB 3.76Å
261	I	92.3	Very high	88.8	Confident	23 Å²	23	60.4 Å²	60.4	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-47.6	177.5	-69.4	168.5	0	0	0	110	D257 E258 K263 V264 D265 T277 A280 A281 V284	D257-I261 WeakPolarHBondContact O-CB 3.38Å; D257-I261 WeakPolarHBondContact O-CD1 3.44Å; D257-I261 WeakPolarHBondContact O-CG1 3.4Å; D257-I261 PolarHBondContact O-N 2.94Å; E258-I261 PolarHBondContact O-N 3.33Å; I261-K263 PolarHBondContact O-N 3.15Å; I261-V264 PolarHBondContact O-N 2.92Å; I261-D265 WeakPolarHBondContact O-CB 3.45Å; I261-D265 PolarHBondContact O-N 3.43Å; I261-T277 HydrophobicContact CG2-CG2 3.98Å; I261-A280 HydrophobicContact CG2-CB 4.05Å; I261-A281 HydrophobicContact CD1-CB 3.79Å; I261-A281 HydrophobicContact CG1-CB 4.16Å; I261-V284 HydrophobicContact CG1-CB 4.2Å; I261-V284 HydrophobicContact CG1-CG2 3.9Å
262	K	92.3	Very high	89.1	Confident	132 Å²	132	57 Å²	57	57%	0.574	28%	0.279	S	S	*	.	H	α-helix	trans	-59.8	-44.6	178.2	-175.3	176.4	179	176.8	0	111.9	E258 K259 A260 V264 D265 D266	E258-K262 WeakPolarHBondContact O-CB 3.47Å; E258-K262 PolarHBondContact O-N 3.42Å; K259-K262 PolarHBondContact O-N 3.03Å; A260-K262 VanDerWaalsContact C-N 3.33Å; A260-K262 PolarHBondContact O-N 3.26Å; K262-V264 PolarHBondContact O-N 2.9Å; K262-D265 PolarHBondContact O-N 3.16Å; K262-D266 PolarHBondContact O-N 2.9Å
263	K	93.4	Very high	89.7	Confident	69 Å²	69	53.5 Å²	53.5	30%	0.3	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-42	177	-78.3	-168.9	168.6	-161.5	0	112.5	K259 A260 I261 D266 L267 A320 I329	K259-K263 WeakPolarHBondContact O-CG 3.48Å; K259-K263 PolarHBondContact O-N 3.29Å; A260-K263 PolarHBondContact O-N 3.02Å; I261-K263 PolarHBondContact O-N 3.15Å; K263-D266 PolarHBondContact O-N 3.26Å; K263-L267 WeakPolarHBondContact O-CG 3.25Å; K263-L267 PolarHBondContact O-N 3.02Å; K263-A320 HydrophobicContact CB-CB 4.1Å; K263-I329 HydrophobicContact CD-CB 4.29Å; K263-I329 HydrophobicContact CD-CD1 4.2Å; K263-I329 HydrophobicContact CD-CG2 4.06Å
264	V	94.6	Very high	90.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-41	176.1	174.6	0	0	0	0	110.9	A260 I261 K262 D266 L267 L268 A280 M283 V284 V317 I321	A260-V264 WeakPolarHBondContact O-CG2 3.39Å; A260-V264 PolarHBondContact O-N 3.48Å; I261-V264 PolarHBondContact O-N 2.92Å; K262-V264 PolarHBondContact O-N 2.9Å; V264-D266 VanDerWaalsContact C-N 3.31Å; V264-D266 PolarHBondContact O-N 3.39Å; V264-L267 WeakPolarHBondContact O-CB 3.41Å; V264-L267 PolarHBondContact O-N 2.91Å; V264-L267 VanDerWaalsContact O-N 3.16Å; V264-L268 WeakPolarHBondContact O-CG 3.35Å; V264-L268 PolarHBondContact O-N 3.41Å; V264-A280 HydrophobicContact CB-CB 4.14Å; V264-A280 HydrophobicContact CG1-CB 3.87Å; V264-M283 HydrophobicContact CG1-CB 4.1Å; V264-M283 HydrophobicContact CG1-CG 4.46Å; V264-M283 HydrophobicContact CG1-SD 3.54Å; V264-M283 VanDerWaalsContact CG1-SD 3.54Å; V264-V284 HydrophobicContact CG2-CG2 3.96Å; V264-V317 HydrophobicContact CG1-CG1 4.3Å; V264-V317 HydrophobicContact CG1-CG2 4.23Å; V264-V317 HydrophobicContact CG2-CG1 3.95Å; V264-I321 HydrophobicContact CG2-CG1 4.37Å
265	D	94.3	Very high	90.9	Very high	4 Å²	4	51 Å²	51	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-34.6	175.8	-159.7	32.5	0	0	0	111.6	K154 I261 K262 L268 E269 R275 D276 A280	K154-D265 IonicContact NZ-OD2 3.68Å; I261-D265 WeakPolarHBondContact O-CB 3.45Å; I261-D265 PolarHBondContact O-N 3.43Å; K262-D265 PolarHBondContact O-N 3.16Å; D265-L268 PolarHBondContact O-N 2.92Å; D265-E269 PolarHBondContact O-N 3.35Å; D265-E269 VanDerWaalsContact O-N 3.14Å; D265-R275 VanDerWaalsContact O-CD 3.25Å; D265-R275 WeakPolarHBondContact O-CD 3.49Å; D265-R275 WeakPolarHBondContact OD1-CA 3.45Å; D265-R275 IonicContact OD1-NE 3.45Å; D265-R275 WeakPolarHBondContact OD2-CD 3.27Å; D265-R275 IonicContact OD2-CZ 3.69Å; D265-R275 VanDerWaalsContact OD2-CZ 3.24Å; D265-R275 IonicContact OD2-NE 3.65Å; D265-R275 PolarHBondContact OD2-NE 2.82Å; D265-R275 IonicContact OD2-NH2 3.64Å; D265-R275 PolarHBondContact OD2-NH2 2.75Å; D265-D276 PolarHBondContact OD1-N 3.26Å; D265-A280 HydrophobicContact CB-CB 4.02Å
266	D	94.4	Very high	91.3	Very high	65 Å²	65	44.2 Å²	44.2	35%	0.348	22%	0.217	S	C	.	.	H	α-helix	trans	-68.8	-34.9	173	-66.7	-22.6	0	0	0	112	K262 K263 V264 E269 S270 R275	K262-D266 PolarHBondContact O-N 2.9Å; K263-D266 PolarHBondContact O-N 3.26Å; V264-D266 VanDerWaalsContact C-N 3.31Å; V264-D266 PolarHBondContact O-N 3.39Å; D266-E269 PolarHBondContact O-N 2.97Å; D266-S270 PolarHBondContact O-N 3.23Å; D266-R275 IonicContact OD1-CZ 3.69Å; D266-R275 IonicContact OD1-NH1 3.03Å; D266-R275 PolarHBondContact OD1-NH1 3.27Å; D266-R275 IonicContact OD1-NH2 3.64Å
267	L	94.5	Very high	91.8	Very high	31 Å²	31	43.1 Å²	43.1	16%	0.162	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-38.9	172	-69.6	171	0	0	0	111.8	K263 V264 E269 S270 Y271 F313 D316 V317 A320	K263-L267 WeakPolarHBondContact O-CG 3.25Å; K263-L267 PolarHBondContact O-N 3.02Å; V264-L267 WeakPolarHBondContact O-CB 3.41Å; V264-L267 PolarHBondContact O-N 2.91Å; V264-L267 VanDerWaalsContact O-N 3.16Å; L267-E269 PolarHBondContact O-N 2.98Å; L267-S270 PolarHBondContact O-N 2.84Å; L267-S270 PolarHBondContact O-OG 3.32Å; L267-S270 VanDerWaalsContact O-OG 3.05Å; L267-Y271 HydrophobicContact CD2-CE2 4.17Å; L267-Y271 WeakPolarHBondContact O-CB 3.18Å; L267-Y271 WeakPolarHBondContact O-CD2 3.48Å; L267-Y271 PolarHBondContact O-N 3.19Å; L267-F313 HydrophobicContact CB-CD2 4.3Å; L267-F313 HydrophobicContact CB-CE2 3.82Å; L267-D316 HydrophobicContact CD1-CB 4.02Å; L267-D316 HydrophobicContact CD2-CB 4.1Å; L267-V317 HydrophobicContact CD1-CG2 3.85Å; L267-A320 HydrophobicContact CD1-CB 4.17Å
268	L	94.1	Very high	92	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-39.2	174	-72.8	172	0	0	0	111	V264 D265 M272 G273 I274 L279 A280 M283 F309 F313	V264-L268 WeakPolarHBondContact O-CG 3.35Å; V264-L268 PolarHBondContact O-N 3.41Å; D265-L268 PolarHBondContact O-N 2.92Å; L268-M272 HydrophobicContact CD2-SD 4.12Å; L268-M272 WeakPolarHBondContact O-CA 3.38Å; L268-M272 WeakPolarHBondContact O-CB 3.37Å; L268-M272 PolarHBondContact O-N 3.41Å; L268-G273 PolarHBondContact O-N 3.44Å; L268-I274 CarbonylContact C-O 3.59Å; L268-I274 HydrophobicContact CB-CG1 4.09Å; L268-I274 HydrophobicContact CD2-CD1 4.38Å; L268-I274 PolarHBondContact O-N 3.45Å; L268-L279 HydrophobicContact CD1-CD2 4.09Å; L268-L279 HydrophobicContact CD1-CG 4.39Å; L268-L279 HydrophobicContact CD2-CD2 4.17Å; L268-A280 HydrophobicContact CD1-CB 4.25Å; L268-M283 HydrophobicContact CD2-CE 4.22Å; L268-F309 HydrophobicContact CD2-CE1 4.29Å; L268-F313 HydrophobicContact CD2-CE1 4.42Å; L268-F313 HydrophobicContact CD2-CE2 3.95Å; L268-F313 HydrophobicContact CD2-CZ 3.47Å; L268-F313 VanDerWaalsContact CD2-CZ 3.47Å; L268-F313 HydrophobicContact CG-CE2 4.31Å; L268-F313 HydrophobicContact CG-CZ 4.05Å
269	E	93.6	Very high	92.2	Very high	33 Å²	33	38.6 Å²	38.6	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-68.4	-44.4	178	-177.6	168.4	-154.3	0	0	111.6	T142 R155 D265 D266 L267 G273 I274 R275	T142-E269 HydrophobicContact CG2-CB 4.47Å; T142-E269 HydrophobicContact CG2-CG 3.83Å; T142-E269 PolarHBondContact OG1-OE1 3.05Å; R155-E269 WeakPolarHBondContact CD-OE1 3.49Å; R155-E269 IonicContact NH1-OE1 3.99Å; R155-E269 PolarHBondContact NH1-OE1 3.38Å; R155-E269 IonicContact NH1-OE2 3.94Å; R155-E269 PolarHBondContact NH1-OE2 3.15Å; D265-E269 PolarHBondContact O-N 3.35Å; D265-E269 VanDerWaalsContact O-N 3.14Å; D266-E269 PolarHBondContact O-N 2.97Å; L267-E269 PolarHBondContact O-N 2.98Å; E269-G273 VanDerWaalsContact O-CA 3.25Å; E269-G273 WeakPolarHBondContact O-CA 3.43Å; E269-G273 PolarHBondContact O-N 2.93Å; E269-I274 WeakPolarHBondContact CA-O 3.43Å; E269-I274 PolarHBondContact N-O 3.28Å; E269-R275 HydrophobicContact CB-CG 4.15Å; E269-R275 HydrophobicContact CG-CG 4.5Å; E269-R275 IonicContact OE2-CZ 2.81Å; E269-R275 IonicContact OE2-NH1 3.43Å; E269-R275 PolarHBondContact OE2-NH1 2.93Å
270	S	91.5	Very high	92.3	Very high	84 Å²	84	33.9 Å²	33.9	59%	0.587	17%	0.174	S	C	*	.	H	α-helix	trans	-69	-41.3	-177.7	67.6	0	0	0	0	113	D266 L267	D266-S270 PolarHBondContact O-N 3.23Å; L267-S270 PolarHBondContact O-N 2.84Å; L267-S270 PolarHBondContact O-OG 3.32Å; L267-S270 VanDerWaalsContact O-OG 3.05Å
271	Y	90.3	Very high	92.3	Very high	74 Å²	74	34.1 Å²	34.1	29%	0.29	18%	0.176	S	C	.	.	H	α-helix	trans	-83.8	-39.5	-177	-81.7	-96.2	0	0	0	112.9	L267 E312 F313 D316	L267-Y271 HydrophobicContact CD2-CE2 4.17Å; L267-Y271 WeakPolarHBondContact O-CB 3.18Å; L267-Y271 WeakPolarHBondContact O-CD2 3.48Å; L267-Y271 PolarHBondContact O-N 3.19Å; Y271-E312 HydrophobicContact CE1-CB 4.41Å; Y271-F313 HydrophobicContact CD1-CB 4.03Å; Y271-F313 HydrophobicContact CD1-CD2 4.47Å; Y271-F313 AromaticContact CD2-CD2 3.83Å; Y271-F313 HydrophobicContact CD2-CD2 3.83Å; Y271-F313 HydrophobicContact CE1-CB 4.26Å; Y271-F313 HydrophobicContact CG-CB 4.23Å; Y271-F313 AromaticContact CG-CD2 3.82Å; Y271-F313 HydrophobicContact CG-CD2 3.82Å; Y271-F313 HydrophobicContact CG-CG 4.49Å; Y271-D316 PolarHBondContact OH-OD2 3.43Å
272	M	90	Very high	92.2	Very high	47 Å²	47	34 Å²	34	23%	0.232	18%	0.176	C	C	.	.	H	α-helix	trans	-119.7	-9	-166.6	-58.4	177.9	74	0	0	113.5	L268 I274 F309	L268-M272 HydrophobicContact CD2-SD 4.12Å; L268-M272 WeakPolarHBondContact O-CA 3.38Å; L268-M272 WeakPolarHBondContact O-CB 3.37Å; L268-M272 PolarHBondContact O-N 3.41Å; M272-I274 HydrophobicContact CB-CD1 3.86Å; M272-I274 HydrophobicContact CB-CG1 3.85Å; M272-I274 HydrophobicContact CE-CD1 3.91Å; M272-I274 PolarHBondContact O-N 2.95Å; M272-I274 HydrophobicContact SD-CD1 3.95Å; M272-F309 HydrophobicContact CE-CE1 4.35Å; M272-F309 HydrophobicContact SD-CD1 3.94Å; M272-F309 HydrophobicContact SD-CE1 3.84Å
273	G	91.1	Very high	92.2	Very high	22 Å²	22	27.8 Å²	27.8	23%	0.227	15%	0.149	C	C	.	.	S	Bend	trans	68.4	26.7	-176.1	0	0	0	0	0	112.7	T142 I143 L268 E269	T142-G273 WeakPolarHBondContact CA-O 3.48Å; I143-G273 PolarHBondContact N-O 3.21Å; L268-G273 PolarHBondContact O-N 3.44Å; E269-G273 VanDerWaalsContact O-CA 3.25Å; E269-G273 WeakPolarHBondContact O-CA 3.43Å; E269-G273 PolarHBondContact O-N 2.93Å
274	I	93.7	Very high	92.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-127.6	157.9	-177.7	70.7	-171.5	0	0	0	112.1	I143 A191 L268 E269 M272	I143-I274 WeakPolarHBondContact O-CA 3.19Å; A191-I274 HydrophobicContact CB-CG2 3.52Å; L268-I274 CarbonylContact C-O 3.59Å; L268-I274 HydrophobicContact CB-CG1 4.09Å; L268-I274 HydrophobicContact CD2-CD1 4.38Å; L268-I274 PolarHBondContact O-N 3.45Å; E269-I274 WeakPolarHBondContact CA-O 3.43Å; E269-I274 PolarHBondContact N-O 3.28Å; M272-I274 HydrophobicContact CB-CD1 3.86Å; M272-I274 HydrophobicContact CB-CG1 3.85Å; M272-I274 HydrophobicContact CE-CD1 3.91Å; M272-I274 PolarHBondContact O-N 2.95Å; M272-I274 HydrophobicContact SD-CD1 3.95Å
275	R	93.4	Very high	91.9	Very high	41 Å²	41	28.3 Å²	28.3	16%	0.155	15%	0.153	C	C	.	.			trans	-132.3	128.2	169.2	-69	-83	-72.5	-134.9	18.8	108.5	T142 I143 T144 K154 D265 D266 E269	T142-R275 HydrophobicContact CG2-CB 4.19Å; T142-R275 HydrophobicContact CG2-CG 3.4Å; T142-R275 VanDerWaalsContact CG2-CG 3.4Å; I143-R275 PolarHBondContact O-N 3.35Å; T144-R275 WeakPolarHBondContact CB-O 3.42Å; T144-R275 PolarHBondContact OG1-O 3.01Å; K154-R275 HydrophobicContact CD-CB 3.49Å; K154-R275 VanDerWaalsContact CD-CB 3.49Å; K154-R275 HydrophobicContact CD-CG 4.01Å; D265-R275 VanDerWaalsContact O-CD 3.25Å; D265-R275 WeakPolarHBondContact O-CD 3.49Å; D265-R275 WeakPolarHBondContact OD1-CA 3.45Å; D265-R275 IonicContact OD1-NE 3.45Å; D265-R275 WeakPolarHBondContact OD2-CD 3.27Å; D265-R275 IonicContact OD2-CZ 3.69Å; D265-R275 VanDerWaalsContact OD2-CZ 3.24Å; D265-R275 IonicContact OD2-NE 3.65Å; D265-R275 PolarHBondContact OD2-NE 2.82Å; D265-R275 IonicContact OD2-NH2 3.64Å; D265-R275 PolarHBondContact OD2-NH2 2.75Å; D266-R275 IonicContact OD1-CZ 3.69Å; D266-R275 IonicContact OD1-NH1 3.03Å; D266-R275 PolarHBondContact OD1-NH1 3.27Å; D266-R275 IonicContact OD1-NH2 3.64Å; E269-R275 HydrophobicContact CB-CG 4.15Å; E269-R275 HydrophobicContact CG-CG 4.5Å; E269-R275 IonicContact OE2-CZ 2.81Å; E269-R275 IonicContact OE2-NH1 3.43Å; E269-R275 PolarHBondContact OE2-NH1 2.93Å
276	D	91.3	Very high	91.7	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.08	16%	0.159	C	C	.	.			trans	-148.3	100.1	176.3	-174.5	-20.7	0	0	0	108.3	R186 H187 D265 E278 L279 A280	R186-D276 IonicContact NH2-OD2 3.13Å; R186-D276 PolarHBondContact NH2-OD2 3.05Å; H187-D276 IonicContact CE1-OD2 2.79Å; H187-D276 PolarHBondContact CE1-OD2 3.48Å; H187-D276 IonicContact ND1-OD2 3.75Å; H187-D276 IonicContact NE2-OD2 2.65Å; D265-D276 PolarHBondContact OD1-N 3.26Å; D276-E278 VanDerWaalsContact C-N 3.26Å; D276-E278 PolarHBondContact O-N 3.19Å; D276-E278 PolarHBondContact OD1-N 2.77Å; D276-L279 HydrophobicContact CB-CB 3.72Å; D276-L279 HydrophobicContact CB-CD2 4.36Å; D276-L279 VanDerWaalsContact CG-CB 3.43Å; D276-L279 PolarHBondContact O-N 3.03Å; D276-L279 PolarHBondContact OD1-N 2.93Å; D276-A280 WeakPolarHBondContact O-CB 3.32Å; D276-A280 PolarHBondContact O-N 2.74Å
277	T	91.1	Very high	91.4	Very high	48 Å²	48	26.2 Å²	26.2	29%	0.294	14%	0.143	S	C	.	.	H	α-helix	trans	-67.5	-28.8	-177	-51.4	0	0	0	0	111.9	I261 A281	I261-T277 HydrophobicContact CG2-CG2 3.98Å; T277-A281 VanDerWaalsContact O-CB 3.25Å; T277-A281 WeakPolarHBondContact O-CB 3.5Å; T277-A281 PolarHBondContact O-N 2.92Å
278	E	89.1	Confident	91	Very high	22 Å²	22	31.8 Å²	31.8	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-74.6	-41.7	177.8	-169.9	-85.7	165	0	0	110.9	S243 D276 A281 T282	S243-E278 WeakPolarHBondContact CB-OE1 3.4Å; S243-E278 VanDerWaalsContact CB-OE2 3.25Å; S243-E278 WeakPolarHBondContact CB-OE2 3.32Å; S243-E278 PolarHBondContact N-OE1 3.01Å; S243-E278 VanDerWaalsContact OG-CD 3.31Å; S243-E278 PolarHBondContact OG-OE1 3.43Å; S243-E278 PolarHBondContact OG-OE2 2.95Å; D276-E278 VanDerWaalsContact C-N 3.26Å; D276-E278 PolarHBondContact O-N 3.19Å; D276-E278 PolarHBondContact OD1-N 2.77Å; E278-A281 PolarHBondContact O-N 2.91Å; E278-T282 WeakPolarHBondContact O-CB 3.5Å; E278-T282 PolarHBondContact O-N 3.02Å; E278-T282 PolarHBondContact O-OG1 3.27Å
279	L	90.4	Very high	90.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-48.3	171.7	-179.3	62.7	0	0	0	111.1	L268 D276 A281 T282 M283 L304 F307 F309	L268-L279 HydrophobicContact CD1-CD2 4.09Å; L268-L279 HydrophobicContact CD1-CG 4.39Å; L268-L279 HydrophobicContact CD2-CD2 4.17Å; D276-L279 HydrophobicContact CB-CB 3.72Å; D276-L279 HydrophobicContact CB-CD2 4.36Å; D276-L279 VanDerWaalsContact CG-CB 3.43Å; D276-L279 PolarHBondContact O-N 3.03Å; D276-L279 PolarHBondContact OD1-N 2.93Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 3.42Å; L279-T282 WeakPolarHBondContact O-CB 3.47Å; L279-T282 PolarHBondContact O-N 3.46Å; L279-T282 VanDerWaalsContact O-N 3.15Å; L279-M283 HydrophobicContact CD1-CE 4.11Å; L279-M283 HydrophobicContact CD2-CE 4.22Å; L279-M283 HydrophobicContact CG-CE 3.94Å; L279-M283 WeakPolarHBondContact O-CG 3.42Å; L279-M283 PolarHBondContact O-N 3.05Å; L279-L304 HydrophobicContact CD1-CD1 3.54Å; L279-L304 HydrophobicContact CD1-CD2 3.66Å; L279-L304 HydrophobicContact CD1-CG 4.2Å; L279-F307 HydrophobicContact CD1-CE1 4.34Å; L279-F307 HydrophobicContact CD1-CE2 4.07Å; L279-F307 HydrophobicContact CD1-CZ 3.9Å; L279-F307 HydrophobicContact CD2-CD1 4.14Å; L279-F307 HydrophobicContact CD2-CE1 3.59Å; L279-F307 HydrophobicContact CD2-CZ 3.93Å; L279-F309 HydrophobicContact CD2-CZ 4.4Å
280	A	92.8	Very high	90.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-42.8	178.1	0	0	0	0	0	111.9	I261 V264 D265 L268 D276 T282 M283 V284	I261-A280 HydrophobicContact CG2-CB 4.05Å; V264-A280 HydrophobicContact CB-CB 4.14Å; V264-A280 HydrophobicContact CG1-CB 3.87Å; D265-A280 HydrophobicContact CB-CB 4.02Å; L268-A280 HydrophobicContact CD1-CB 4.25Å; D276-A280 WeakPolarHBondContact O-CB 3.32Å; D276-A280 PolarHBondContact O-N 2.74Å; A280-T282 VanDerWaalsContact C-N 3.34Å; A280-T282 PolarHBondContact O-N 3.2Å; A280-M283 WeakPolarHBondContact O-CB 3.44Å; A280-M283 PolarHBondContact O-N 2.82Å; A280-V284 WeakPolarHBondContact O-CG2 3.31Å; A280-V284 PolarHBondContact O-N 3.46Å
281	A	91.1	Very high	90.2	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-42.4	173.7	0	0	0	0	0	112.4	I261 T277 E278 L279 M283 V284 E285	I261-A281 HydrophobicContact CD1-CB 3.79Å; I261-A281 HydrophobicContact CG1-CB 4.16Å; T277-A281 VanDerWaalsContact O-CB 3.25Å; T277-A281 WeakPolarHBondContact O-CB 3.5Å; T277-A281 PolarHBondContact O-N 2.92Å; E278-A281 PolarHBondContact O-N 2.91Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 3.42Å; A281-M283 VanDerWaalsContact C-N 3.34Å; A281-M283 PolarHBondContact O-N 2.85Å; A281-V284 PolarHBondContact O-N 3.27Å; A281-E285 VanDerWaalsContact O-CG 3.31Å; A281-E285 WeakPolarHBondContact O-CG 3.47Å; A281-E285 PolarHBondContact O-N 3.44Å
282	T	90.1	Very high	90.2	Very high	22 Å²	22	43.3 Å²	43.3	14%	0.135	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-41.7	175.4	-57.8	0	0	0	0	111.6	E278 L279 A280 E285 V286 L304	E278-T282 WeakPolarHBondContact O-CB 3.5Å; E278-T282 PolarHBondContact O-N 3.02Å; E278-T282 PolarHBondContact O-OG1 3.27Å; L279-T282 WeakPolarHBondContact O-CB 3.47Å; L279-T282 PolarHBondContact O-N 3.46Å; L279-T282 VanDerWaalsContact O-N 3.15Å; A280-T282 VanDerWaalsContact C-N 3.34Å; A280-T282 PolarHBondContact O-N 3.2Å; T282-E285 PolarHBondContact O-N 3.16Å; T282-V286 HydrophobicContact CG2-CG2 4.41Å; T282-V286 WeakPolarHBondContact O-CB 3.4Å; T282-V286 VanDerWaalsContact O-CG2 3.27Å; T282-V286 WeakPolarHBondContact O-CG2 3.41Å; T282-V286 PolarHBondContact O-N 2.61Å; T282-L304 HydrophobicContact CG2-CD1 4.38Å
283	M	92	Very high	90.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-43.9	176.1	-69.5	178.2	170.6	0	0	112.5	V264 L268 L279 A280 A281 V286 G287 L300 L304 F309 F313 V317	V264-M283 HydrophobicContact CG1-CB 4.1Å; V264-M283 HydrophobicContact CG1-CG 4.46Å; V264-M283 HydrophobicContact CG1-SD 3.54Å; V264-M283 VanDerWaalsContact CG1-SD 3.54Å; L268-M283 HydrophobicContact CD2-CE 4.22Å; L279-M283 HydrophobicContact CD1-CE 4.11Å; L279-M283 HydrophobicContact CD2-CE 4.22Å; L279-M283 HydrophobicContact CG-CE 3.94Å; L279-M283 WeakPolarHBondContact O-CG 3.42Å; L279-M283 PolarHBondContact O-N 3.05Å; A280-M283 WeakPolarHBondContact O-CB 3.44Å; A280-M283 PolarHBondContact O-N 2.82Å; A281-M283 VanDerWaalsContact C-N 3.34Å; A281-M283 PolarHBondContact O-N 2.85Å; M283-V286 PolarHBondContact O-N 2.96Å; M283-G287 PolarHBondContact O-N 3.32Å; M283-L300 HydrophobicContact CE-CD1 4.4Å; M283-L300 HydrophobicContact CG-CD1 3.83Å; M283-L304 HydrophobicContact CE-CD1 4.26Å; M283-L304 HydrophobicContact CG-CD1 3.96Å; M283-F309 HydrophobicContact CE-CD1 4.31Å; M283-F309 HydrophobicContact CE-CD2 4.29Å; M283-F309 HydrophobicContact CE-CE1 3.53Å; M283-F309 HydrophobicContact CE-CE2 3.49Å; M283-F309 VanDerWaalsContact CE-CE2 3.49Å; M283-F309 HydrophobicContact CE-CZ 3.05Å; M283-F313 HydrophobicContact CE-CE1 3.9Å; M283-F313 HydrophobicContact CE-CZ 4.1Å; M283-F313 HydrophobicContact SD-CE1 4.27Å; M283-F313 HydrophobicContact SD-CZ 4.17Å; M283-V317 HydrophobicContact CB-CG1 4.46Å
284	V	91.9	Very high	90	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-43.2	177.1	173.6	0	0	0	0	111.1	A260 I261 V264 A280 A281 G287 R288 I321	A260-V284 HydrophobicContact CB-CG1 3.98Å; A260-V284 HydrophobicContact CB-CG2 3.93Å; I261-V284 HydrophobicContact CG1-CB 4.2Å; I261-V284 HydrophobicContact CG1-CG2 3.9Å; V264-V284 HydrophobicContact CG2-CG2 3.96Å; A280-V284 WeakPolarHBondContact O-CG2 3.31Å; A280-V284 PolarHBondContact O-N 3.46Å; A281-V284 PolarHBondContact O-N 3.27Å; V284-G287 PolarHBondContact O-N 3.46Å; V284-R288 PolarHBondContact O-N 2.75Å; V284-R288 VanDerWaalsContact O-N 3.13Å; V284-I321 HydrophobicContact CG2-CG1 4.22Å
285	E	89.3	Confident	90	Very high	72 Å²	72	51.6 Å²	51.6	34%	0.336	25%	0.251	S	S	.	.	H	α-helix	trans	-60.8	-48.6	175.7	-73.5	174.1	-158.5	0	0	111.7	R240 R242 A281 T282 G287 R288	R240-E285 IonicContact CZ-OE1 2.84Å; R240-E285 IonicContact NE-OE1 3.03Å; R240-E285 PolarHBondContact NE-OE1 2.84Å; R240-E285 IonicContact NH2-OE1 3.78Å; R240-E285 PolarHBondContact NH2-OE1 2.88Å; R242-E285 IonicContact CZ-OE1 3.33Å; R242-E285 IonicContact CZ-OE2 3.95Å; R242-E285 IonicContact NH1-OE1 2.81Å; R242-E285 PolarHBondContact NH1-OE1 2.76Å; R242-E285 IonicContact NH1-OE2 2.7Å; R242-E285 PolarHBondContact NH1-OE2 3.06Å; R242-E285 IonicContact NH2-OE1 3.63Å; R242-E285 IonicContact NH2-OE2 3.4Å; A281-E285 VanDerWaalsContact O-CG 3.31Å; A281-E285 WeakPolarHBondContact O-CG 3.47Å; A281-E285 PolarHBondContact O-N 3.44Å; T282-E285 PolarHBondContact O-N 3.16Å; E285-G287 VanDerWaalsContact C-N 3.28Å; E285-G287 PolarHBondContact O-N 2.7Å; E285-R288 VanDerWaalsContact O-CB 3.31Å; E285-R288 WeakPolarHBondContact O-CB 3.29Å; E285-R288 PolarHBondContact O-N 3.45Å; E285-R288 VanDerWaalsContact O-N 3.16Å
286	V	89.9	Confident	89.9	Confident	25 Å²	25	49.6 Å²	49.6	15%	0.152	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-38.8	178.1	169.4	0	0	0	0	111.5	T282 M283 R288 K290 F296 A299	T282-V286 HydrophobicContact CG2-CG2 4.41Å; T282-V286 WeakPolarHBondContact O-CB 3.4Å; T282-V286 VanDerWaalsContact O-CG2 3.27Å; T282-V286 WeakPolarHBondContact O-CG2 3.41Å; T282-V286 PolarHBondContact O-N 2.61Å; M283-V286 PolarHBondContact O-N 2.96Å; V286-R288 VanDerWaalsContact C-N 3.34Å; V286-K290 VanDerWaalsContact O-CE 3.27Å; V286-K290 WeakPolarHBondContact O-CE 3.36Å; V286-K290 VanDerWaalsContact O-CG 3.26Å; V286-K290 WeakPolarHBondContact O-CG 3.36Å; V286-F296 HydrophobicContact CG1-CD2 4.39Å; V286-F296 HydrophobicContact CG1-CE2 4.3Å; V286-A299 HydrophobicContact CG1-CB 3.64Å
287	G	88.8	Confident	89.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-79.6	-8.4	179.7	0	0	0	0	0	115.2	M283 V284 E285 D289 K325	M283-G287 PolarHBondContact O-N 3.32Å; V284-G287 PolarHBondContact O-N 3.46Å; E285-G287 VanDerWaalsContact C-N 3.28Å; E285-G287 PolarHBondContact O-N 2.7Å; G287-D289 PolarHBondContact O-N 3.34Å; G287-K325 PolarHBondContact O-NZ 2.94Å
288	R	84.9	Confident	89.8	Confident	148 Å²	148	55.2 Å²	55.2	56%	0.558	27%	0.274	S	S	*	.	H	α-helix	trans	-62.4	-41.9	-174.2	-168	176.4	-174.5	161.4	5.8	112.9	V284 E285 V286 K325	V284-R288 PolarHBondContact O-N 2.75Å; V284-R288 VanDerWaalsContact O-N 3.13Å; E285-R288 VanDerWaalsContact O-CB 3.31Å; E285-R288 WeakPolarHBondContact O-CB 3.29Å; E285-R288 PolarHBondContact O-N 3.45Å; E285-R288 VanDerWaalsContact O-N 3.16Å; V286-R288 VanDerWaalsContact C-N 3.34Å; R288-K325 WeakPolarHBondContact O-CE 3.43Å; R288-K325 PolarHBondContact O-NZ 3.16Å
289	D	84.5	Confident	89.9	Confident	136 Å²	136	54.5 Å²	54.5	73%	0.727	27%	0.272	S	S	*	.	S	Bend	trans	-103.2	2.5	-172.7	-61.1	-33.9	0	0	0	114.1	G287	G287-D289 PolarHBondContact O-N 3.34Å
290	K	90.5	Very high	89.8	Confident	69 Å²	69	54.6 Å²	54.6	30%	0.3	27%	0.272	S	S	.	.			trans	-83.5	151.5	179.7	-49.1	-59.8	172.6	175.5	0	110.8	V286 E295 F296 A299 W318	V286-K290 VanDerWaalsContact O-CE 3.27Å; V286-K290 WeakPolarHBondContact O-CE 3.36Å; V286-K290 VanDerWaalsContact O-CG 3.26Å; V286-K290 WeakPolarHBondContact O-CG 3.36Å; K290-E295 HydrophobicContact CB-CB 4.3Å; K290-E295 HydrophobicContact CD-CB 4.36Å; K290-F296 HydrophobicContact CB-CB 4.23Å; K290-F296 HydrophobicContact CG-CB 4.36Å; K290-A299 HydrophobicContact CD-CB 4.26Å; K290-W318 HydrophobicContact CB-CH2 4.32Å; K290-W318 HydrophobicContact CB-CZ3 3.9Å; K290-W318 VanDerWaalsContact O-CH2 3.3Å; K290-W318 WeakPolarHBondContact O-CH2 3.11Å
291	K	88.4	Confident	89.6	Confident	177 Å²	177	59.9 Å²	59.9	77%	0.77	30%	0.301	S	S	*	.			trans	-107.6	-21.8	-175.2	-65.2	179.8	-178.5	174.5	0	114	E295	K291-E295 PolarHBondContact N-OE2 2.83Å
292	N	89.1	Confident	89.4	Confident	51 Å²	51	67.7 Å²	67.7	27%	0.273	34%	0.336	S	S	.	.	S	Bend	trans	-145.5	162.6	-177.3	58.2	66.4	0	0	0	110.9	D294 E295 F296	N292-D294 VanDerWaalsContact C-N 3.27Å; N292-D294 PolarHBondContact O-N 3.36Å; N292-D294 PolarHBondContact OD1-N 3.01Å; N292-E295 PolarHBondContact ND2-OE1 3.23Å; N292-E295 PolarHBondContact O-N 3.42Å; N292-E295 WeakPolarHBondContact OD1-CB 3.31Å; N292-E295 WeakPolarHBondContact OD1-CG 3.37Å; N292-E295 PolarHBondContact OD1-N 3.13Å; N292-F296 PolarHBondContact O-N 3.43Å
293	P	89.4	Confident	89	Confident	44 Å²	44	68.6 Å²	68.6	29%	0.286	34%	0.344	S	S	.	.	H	α-helix	trans	-58.2	-36.4	-179.7	-21.3	29.5	0	0	0	113.5	F296 A297 F315 W318	P293-F296 WeakPolarHBondContact O-CB 3.45Å; P293-F296 PolarHBondContact O-N 3.27Å; P293-A297 WeakPolarHBondContact O-CB 3.31Å; P293-A297 PolarHBondContact O-N 2.99Å; P293-F315 HydrophobicContact CG-CE2 4.44Å; P293-W318 HydrophobicContact CB-CG 4.34Å; P293-W318 HydrophobicContact CG-CG 4.29Å
294	D	89.2	Confident	88.5	Confident	122 Å²	122	69 Å²	69	65%	0.652	35%	0.346	S	S	*	.	H	α-helix	trans	-68.5	-45.3	-176.8	-58.1	-34.8	0	0	0	111.6	N292 F296 A297 M298	N292-D294 VanDerWaalsContact C-N 3.27Å; N292-D294 PolarHBondContact O-N 3.36Å; N292-D294 PolarHBondContact OD1-N 3.01Å; D294-F296 PolarHBondContact O-N 2.89Å; D294-A297 PolarHBondContact O-N 3.35Å; D294-M298 WeakPolarHBondContact O-CG 3.48Å; D294-M298 PolarHBondContact O-N 3.25Å
295	E	91.9	Very high	87.7	Confident	77 Å²	77	70 Å²	70	36%	0.36	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-36.1	172.7	-79.7	175.4	-163.2	0	0	112	K290 K291 N292 A299	K290-E295 HydrophobicContact CB-CB 4.3Å; K290-E295 HydrophobicContact CD-CB 4.36Å; K291-E295 PolarHBondContact N-OE2 2.83Å; N292-E295 PolarHBondContact ND2-OE1 3.23Å; N292-E295 PolarHBondContact O-N 3.42Å; N292-E295 WeakPolarHBondContact OD1-CB 3.31Å; N292-E295 WeakPolarHBondContact OD1-CG 3.37Å; N292-E295 PolarHBondContact OD1-N 3.13Å; E295-A299 WeakPolarHBondContact O-CB 3.31Å; E295-A299 PolarHBondContact O-N 3.19Å
296	F	92.3	Very high	87.1	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-69.4	-48.2	175.6	174.5	-113	0	0	0	111.5	V286 K290 N292 P293 D294 M298 A299 L300 V314 V317 W318 I321	V286-F296 HydrophobicContact CG1-CD2 4.39Å; V286-F296 HydrophobicContact CG1-CE2 4.3Å; K290-F296 HydrophobicContact CB-CB 4.23Å; K290-F296 HydrophobicContact CG-CB 4.36Å; N292-F296 PolarHBondContact O-N 3.43Å; P293-F296 WeakPolarHBondContact O-CB 3.45Å; P293-F296 PolarHBondContact O-N 3.27Å; D294-F296 PolarHBondContact O-N 2.89Å; F296-M298 VanDerWaalsContact C-N 3.34Å; F296-M298 PolarHBondContact O-N 3.3Å; F296-A299 PolarHBondContact O-N 3.01Å; F296-L300 HydrophobicContact CE1-CD2 4.36Å; F296-L300 HydrophobicContact CE2-CD1 4.5Å; F296-L300 HydrophobicContact CZ-CD1 4.22Å; F296-L300 HydrophobicContact CZ-CD2 4.34Å; F296-L300 VanDerWaalsContact O-CB 3.32Å; F296-L300 WeakPolarHBondContact O-CB 3.27Å; F296-L300 PolarHBondContact O-N 2.83Å; F296-V314 HydrophobicContact CD1-CG1 3.84Å; F296-V314 HydrophobicContact CE1-CG1 3.88Å; F296-V317 HydrophobicContact CE1-CB 4.22Å; F296-V317 HydrophobicContact CE1-CG1 3.82Å; F296-V317 HydrophobicContact CZ-CB 4.42Å; F296-V317 HydrophobicContact CZ-CG1 3.55Å; F296-W318 HydrophobicContact CB-CD2 4.42Å; F296-W318 HydrophobicContact CB-CE3 3.69Å; F296-W318 HydrophobicContact CB-CZ3 4.13Å; F296-W318 HydrophobicContact CD1-CB 3.88Å; F296-W318 HydrophobicContact CD1-CE3 4.23Å; F296-W318 HydrophobicContact CD2-CE3 4.4Å; F296-W318 HydrophobicContact CE1-CB 4.27Å; F296-W318 AromaticContact CG-CE3 3.85Å; F296-W318 HydrophobicContact CG-CE3 3.85Å; F296-I321 HydrophobicContact CE2-CD1 4.17Å; F296-I321 HydrophobicContact CZ-CD1 4.15Å
297	A	90.3	Very high	86.5	Confident	38 Å²	38	72.9 Å²	72.9	31%	0.314	37%	0.374	S	S	.	.	H	α-helix	trans	-57.5	-45.9	178	0	0	0	0	0	111.6	P293 D294 A299 L300 D301 V314	P293-A297 WeakPolarHBondContact O-CB 3.31Å; P293-A297 PolarHBondContact O-N 2.99Å; D294-A297 PolarHBondContact O-N 3.35Å; A297-A299 PolarHBondContact O-N 3.46Å; A297-L300 PolarHBondContact O-N 3.34Å; A297-D301 WeakPolarHBondContact O-CB 3.26Å; A297-D301 PolarHBondContact O-N 3.32Å; A297-V314 HydrophobicContact CB-CG1 3.84Å
298	M	89.9	Confident	86	Confident	143 Å²	143	77 Å²	77	70%	0.704	41%	0.407	S	S	*	.	H	α-helix	trans	-60.5	-44	176.5	-71.1	-179.2	69.3	0	0	112.6	D294 F296 L300 D301 E302	D294-M298 WeakPolarHBondContact O-CG 3.48Å; D294-M298 PolarHBondContact O-N 3.25Å; F296-M298 VanDerWaalsContact C-N 3.34Å; F296-M298 PolarHBondContact O-N 3.3Å; M298-L300 VanDerWaalsContact C-N 3.35Å; M298-D301 PolarHBondContact O-N 3.22Å; M298-E302 PolarHBondContact O-N 3.24Å
299	A	90.2	Very high	86.1	Confident	6 Å²	6	71.1 Å²	71.1	5%	0.05	39%	0.386	C	S	.	.	H	α-helix	trans	-71.6	-32.4	-179.8	0	0	0	0	0	112.6	V286 K290 E295 F296 A297 S303	V286-A299 HydrophobicContact CG1-CB 3.64Å; K290-A299 HydrophobicContact CD-CB 4.26Å; E295-A299 WeakPolarHBondContact O-CB 3.31Å; E295-A299 PolarHBondContact O-N 3.19Å; F296-A299 PolarHBondContact O-N 3.01Å; A297-A299 PolarHBondContact O-N 3.46Å; A299-S303 WeakPolarHBondContact O-CB 3.46Å; A299-S303 PolarHBondContact O-N 3.03Å; A299-S303 VanDerWaalsContact O-N 3.12Å; A299-S303 PolarHBondContact O-OG 3.48Å
300	L	89.4	Confident	86.2	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-66.7	-44	174.4	-169.7	73.4	0	0	0	110.4	M283 F296 A297 M298 S303 L304 F309 V314	M283-L300 HydrophobicContact CE-CD1 4.4Å; M283-L300 HydrophobicContact CG-CD1 3.83Å; F296-L300 HydrophobicContact CE1-CD2 4.36Å; F296-L300 HydrophobicContact CE2-CD1 4.5Å; F296-L300 HydrophobicContact CZ-CD1 4.22Å; F296-L300 HydrophobicContact CZ-CD2 4.34Å; F296-L300 VanDerWaalsContact O-CB 3.32Å; F296-L300 WeakPolarHBondContact O-CB 3.27Å; F296-L300 PolarHBondContact O-N 2.83Å; A297-L300 PolarHBondContact O-N 3.34Å; M298-L300 VanDerWaalsContact C-N 3.35Å; L300-S303 PolarHBondContact O-N 2.96Å; L300-L304 HydrophobicContact CD1-CD1 3.69Å; L300-L304 CarbonylContact O-C 3.58Å; L300-L304 WeakPolarHBondContact O-CA 3.44Å; L300-L304 WeakPolarHBondContact O-CB 3.38Å; L300-L304 PolarHBondContact O-N 3Å; L300-F309 HydrophobicContact CD2-CD2 3.75Å; L300-F309 HydrophobicContact CD2-CE2 4.26Å; L300-F309 HydrophobicContact CD2-CG 4.49Å; L300-F309 HydrophobicContact CG-CD2 4.21Å; L300-F309 HydrophobicContact CG-CE2 4.36Å; L300-V314 HydrophobicContact CD2-CG1 4.23Å; L300-V314 HydrophobicContact CD2-CG2 3.86Å
301	D	87.5	Confident	86	Confident	112 Å²	112	71.5 Å²	71.5	60%	0.599	40%	0.395	S	S	*	.	H	α-helix	trans	-64.6	-41.2	176.9	-164.9	50.6	0	0	0	111.9	A297 M298 S303 G305	A297-D301 WeakPolarHBondContact O-CB 3.26Å; A297-D301 PolarHBondContact O-N 3.32Å; M298-D301 PolarHBondContact O-N 3.22Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 2.77Å; D301-G305 WeakPolarHBondContact O-CA 3.38Å; D301-G305 PolarHBondContact O-N 3.5Å; D301-G305 WeakPolarHBondContact OD1-CA 3.34Å
302	E	87.1	Confident	86.1	Confident	167 Å²	167	69.7 Å²	69.7	78%	0.78	39%	0.389	S	S	*	.	H	α-helix	trans	-60.6	-37.9	174.7	-174.1	178.5	-170.1	0	0	112.5	M298	M298-E302 PolarHBondContact O-N 3.24Å
303	S	81.8	Confident	86.2	Confident	41 Å²	41	67.2 Å²	67.2	29%	0.287	38%	0.376	S	S	.	.	H	α-helix	trans	-89.1	-34.4	-175.1	-56.7	0	0	0	0	113.2	K244 A299 L300 D301	K244-S303 PolarHBondContact NZ-O 3.45Å; A299-S303 WeakPolarHBondContact O-CB 3.46Å; A299-S303 PolarHBondContact O-N 3.03Å; A299-S303 VanDerWaalsContact O-N 3.12Å; A299-S303 PolarHBondContact O-OG 3.48Å; L300-S303 PolarHBondContact O-N 2.96Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 2.77Å
304	L	83.1	Confident	86.3	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-140.8	21.2	-163.9	-60.7	173	0	0	0	113.2	L279 T282 M283 L300 D306 F307 F309	L279-L304 HydrophobicContact CD1-CD1 3.54Å; L279-L304 HydrophobicContact CD1-CD2 3.66Å; L279-L304 HydrophobicContact CD1-CG 4.2Å; T282-L304 HydrophobicContact CG2-CD1 4.38Å; M283-L304 HydrophobicContact CE-CD1 4.26Å; M283-L304 HydrophobicContact CG-CD1 3.96Å; L300-L304 HydrophobicContact CD1-CD1 3.69Å; L300-L304 CarbonylContact O-C 3.58Å; L300-L304 WeakPolarHBondContact O-CA 3.44Å; L300-L304 WeakPolarHBondContact O-CB 3.38Å; L300-L304 PolarHBondContact O-N 3Å; L304-D306 PolarHBondContact O-N 3.29Å; L304-F307 HydrophobicContact CB-CD2 4.12Å; L304-F307 HydrophobicContact CD2-CD2 4.38Å; L304-F307 HydrophobicContact CD2-CE2 4.03Å; L304-F307 WeakPolarHBondContact O-CD2 3.41Å; L304-F307 PolarHBondContact O-N 2.95Å; L304-F309 HydrophobicContact CB-CE2 3.99Å
305	G	75.1	Confident	86.4	Confident	30 Å²	30	66 Å²	66	31%	0.309	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-57.1	-22.5	-177.5	0	0	0	0	0	115.3	D301 F307 A308	D301-G305 WeakPolarHBondContact O-CA 3.38Å; D301-G305 PolarHBondContact O-N 3.5Å; D301-G305 WeakPolarHBondContact OD1-CA 3.34Å; G305-F307 PolarHBondContact O-N 3.29Å; G305-F307 VanDerWaalsContact O-N 3.09Å; G305-A308 PolarHBondContact O-N 2.79Å
306	D	76.3	Confident	86.5	Confident	131 Å²	131	65.4 Å²	65.4	70%	0.701	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-59.4	-21.7	175.3	-60.9	-35.8	0	0	0	113.4	L304	L304-D306 PolarHBondContact O-N 3.29Å
307	F	76.2	Confident	86.5	Confident	27 Å²	27	65.4 Å²	65.4	12%	0.118	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-84.7	-18.5	-177.4	-73.2	-99	0	0	0	114	Y188 L279 L304 G305 F309	Y188-F307 AromaticContact CD1-CD1 3.89Å; Y188-F307 HydrophobicContact CD1-CD1 3.89Å; Y188-F307 AromaticContact CD1-CE1 3.35Å; Y188-F307 HydrophobicContact CD1-CE1 3.35Å; Y188-F307 HydrophobicContact CD1-CZ 4.12Å; Y188-F307 HydrophobicContact CE1-CD1 4.11Å; Y188-F307 AromaticContact CE1-CE1 3.53Å; Y188-F307 HydrophobicContact CE1-CE1 3.53Å; Y188-F307 AromaticContact CE1-CZ 3.87Å; Y188-F307 HydrophobicContact CE1-CZ 3.87Å; Y188-F307 HydrophobicContact CG-CD1 4.16Å; Y188-F307 HydrophobicContact CG-CE1 4.07Å; L279-F307 HydrophobicContact CD1-CE1 4.34Å; L279-F307 HydrophobicContact CD1-CE2 4.07Å; L279-F307 HydrophobicContact CD1-CZ 3.9Å; L279-F307 HydrophobicContact CD2-CD1 4.14Å; L279-F307 HydrophobicContact CD2-CE1 3.59Å; L279-F307 HydrophobicContact CD2-CZ 3.93Å; L304-F307 HydrophobicContact CB-CD2 4.12Å; L304-F307 HydrophobicContact CD2-CD2 4.38Å; L304-F307 HydrophobicContact CD2-CE2 4.03Å; L304-F307 WeakPolarHBondContact O-CD2 3.41Å; L304-F307 PolarHBondContact O-N 2.95Å; G305-F307 PolarHBondContact O-N 3.29Å; G305-F307 VanDerWaalsContact O-N 3.09Å; F307-F309 HydrophobicContact CB-CD1 4.2Å; F307-F309 HydrophobicContact CB-CD2 3.99Å; F307-F309 HydrophobicContact CB-CE1 3.65Å; F307-F309 HydrophobicContact CB-CE2 3.42Å; F307-F309 VanDerWaalsContact CB-CE2 3.42Å; F307-F309 HydrophobicContact CB-CG 4.34Å; F307-F309 HydrophobicContact CB-CZ 3.21Å; F307-F309 HydrophobicContact CD1-CE1 4.13Å; F307-F309 AromaticContact CD1-CZ 3.79Å; F307-F309 HydrophobicContact CD1-CZ 3.79Å; F307-F309 HydrophobicContact CD2-CE2 4.4Å; F307-F309 HydrophobicContact CD2-CZ 4.15Å; F307-F309 HydrophobicContact CG-CE1 4.11Å; F307-F309 AromaticContact CG-CE2 3.98Å; F307-F309 HydrophobicContact CG-CE2 3.98Å; F307-F309 AromaticContact CG-CZ 3.47Å; F307-F309 HydrophobicContact CG-CZ 3.47Å; F307-F309 VanDerWaalsContact CG-CZ 3.47Å; F307-F309 PolarHBondContact O-N 3.19Å
308	A	79.9	Confident	86.6	Confident	85 Å²	85	65.6 Å²	65.6	70%	0.702	35%	0.354	S	S	*	.			trans	46.4	59.4	-178.1	0	0	0	0	0	113.4	G305	G305-A308 PolarHBondContact O-N 2.79Å
309	F	85.5	Confident	86.6	Confident	26 Å²	26	60.1 Å²	60.1	11%	0.114	33%	0.334	C	S	.	.			trans	-65.2	139.5	-178.4	-62.9	-66.3	0	0	0	112.3	L268 M272 L279 M283 L300 L304 F307 F313 V314	L268-F309 HydrophobicContact CD2-CE1 4.29Å; M272-F309 HydrophobicContact CE-CE1 4.35Å; M272-F309 HydrophobicContact SD-CD1 3.94Å; M272-F309 HydrophobicContact SD-CE1 3.84Å; L279-F309 HydrophobicContact CD2-CZ 4.4Å; M283-F309 HydrophobicContact CE-CD1 4.31Å; M283-F309 HydrophobicContact CE-CD2 4.29Å; M283-F309 HydrophobicContact CE-CE1 3.53Å; M283-F309 HydrophobicContact CE-CE2 3.49Å; M283-F309 VanDerWaalsContact CE-CE2 3.49Å; M283-F309 HydrophobicContact CE-CZ 3.05Å; L300-F309 HydrophobicContact CD2-CD2 3.75Å; L300-F309 HydrophobicContact CD2-CE2 4.26Å; L300-F309 HydrophobicContact CD2-CG 4.49Å; L300-F309 HydrophobicContact CG-CD2 4.21Å; L300-F309 HydrophobicContact CG-CE2 4.36Å; L304-F309 HydrophobicContact CB-CE2 3.99Å; F307-F309 HydrophobicContact CB-CD1 4.2Å; F307-F309 HydrophobicContact CB-CD2 3.99Å; F307-F309 HydrophobicContact CB-CE1 3.65Å; F307-F309 HydrophobicContact CB-CE2 3.42Å; F307-F309 VanDerWaalsContact CB-CE2 3.42Å; F307-F309 HydrophobicContact CB-CG 4.34Å; F307-F309 HydrophobicContact CB-CZ 3.21Å; F307-F309 HydrophobicContact CD1-CE1 4.13Å; F307-F309 AromaticContact CD1-CZ 3.79Å; F307-F309 HydrophobicContact CD1-CZ 3.79Å; F307-F309 HydrophobicContact CD2-CE2 4.4Å; F307-F309 HydrophobicContact CD2-CZ 4.15Å; F307-F309 HydrophobicContact CG-CE1 4.11Å; F307-F309 AromaticContact CG-CE2 3.98Å; F307-F309 HydrophobicContact CG-CE2 3.98Å; F307-F309 AromaticContact CG-CZ 3.47Å; F307-F309 HydrophobicContact CG-CZ 3.47Å; F307-F309 VanDerWaalsContact CG-CZ 3.47Å; F307-F309 PolarHBondContact O-N 3.19Å; F309-F313 HydrophobicContact CB-CD1 3.81Å; F309-F313 HydrophobicContact CB-CE1 4.31Å; F309-F313 AromaticContact CD1-CD1 3.72Å; F309-F313 HydrophobicContact CD1-CD1 3.72Å; F309-F313 AromaticContact CD1-CE1 3.48Å; F309-F313 HydrophobicContact CD1-CE1 3.48Å; F309-F313 VanDerWaalsContact CD1-CE1 3.48Å; F309-F313 HydrophobicContact CD1-CZ 4.29Å; F309-F313 AromaticContact CE1-CE1 3.92Å; F309-F313 HydrophobicContact CE1-CE1 3.92Å; F309-F313 HydrophobicContact CE1-CZ 4.43Å; F309-F313 AromaticContact CG-CD1 3.91Å; F309-F313 HydrophobicContact CG-CD1 3.91Å; F309-F313 AromaticContact CG-CE1 3.89Å; F309-F313 HydrophobicContact CG-CE1 3.89Å; F309-V314 HydrophobicContact CB-CG2 3.87Å
310	P	86.9	Confident	86.6	Confident	66 Å²	66	60.2 Å²	60.2	43%	0.429	34%	0.335	S	S	.	.			trans	-62.9	144.8	171.3	-20.5	31.9	0	0	0	112.3	E312 F313 V314	P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 PolarHBondContact O-N 2.97Å; P310-F313 HydrophobicContact CB-CB 4.36Å; P310-F313 WeakPolarHBondContact O-CA 3.3Å; P310-F313 WeakPolarHBondContact O-CB 3.31Å; P310-F313 PolarHBondContact O-N 3.39Å; P310-V314 PolarHBondContact O-N 3.29Å; P310-V314 VanDerWaalsContact O-N 3.09Å
311	D	87.2	Confident	86.6	Confident	146 Å²	146	60.1 Å²	60.1	78%	0.781	33%	0.334	S	S	*	.	H	α-helix	trans	-56.3	-39.9	179.9	-64.4	-23	0	0	0	112.8	F313 V314 F315	D311-F313 VanDerWaalsContact C-N 3.31Å; D311-F313 PolarHBondContact O-N 3.11Å; D311-V314 PolarHBondContact O-N 2.99Å; D311-F315 PolarHBondContact O-N 2.81Å
312	E	90.4	Very high	86.4	Confident	139 Å²	139	55.5 Å²	55.5	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-60	-41.1	176	-66.1	-175.9	172.7	0	0	111.8	Y271 P310 F315 D316	Y271-E312 HydrophobicContact CE1-CB 4.41Å; P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 PolarHBondContact O-N 2.97Å; E312-F315 PolarHBondContact O-N 3.18Å; E312-D316 PolarHBondContact O-N 2.88Å
313	F	91.6	Very high	86.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-43.8	176.8	170.6	-90.8	0	0	0	111	L267 L268 Y271 M283 F309 P310 D311 F315 D316 V317	L267-F313 HydrophobicContact CB-CD2 4.3Å; L267-F313 HydrophobicContact CB-CE2 3.82Å; L268-F313 HydrophobicContact CD2-CE1 4.42Å; L268-F313 HydrophobicContact CD2-CE2 3.95Å; L268-F313 HydrophobicContact CD2-CZ 3.47Å; L268-F313 VanDerWaalsContact CD2-CZ 3.47Å; L268-F313 HydrophobicContact CG-CE2 4.31Å; L268-F313 HydrophobicContact CG-CZ 4.05Å; Y271-F313 HydrophobicContact CD1-CB 4.03Å; Y271-F313 HydrophobicContact CD1-CD2 4.47Å; Y271-F313 AromaticContact CD2-CD2 3.83Å; Y271-F313 HydrophobicContact CD2-CD2 3.83Å; Y271-F313 HydrophobicContact CE1-CB 4.26Å; Y271-F313 HydrophobicContact CG-CB 4.23Å; Y271-F313 AromaticContact CG-CD2 3.82Å; Y271-F313 HydrophobicContact CG-CD2 3.82Å; Y271-F313 HydrophobicContact CG-CG 4.49Å; M283-F313 HydrophobicContact CE-CE1 3.9Å; M283-F313 HydrophobicContact CE-CZ 4.1Å; M283-F313 HydrophobicContact SD-CE1 4.27Å; M283-F313 HydrophobicContact SD-CZ 4.17Å; F309-F313 HydrophobicContact CB-CD1 3.81Å; F309-F313 HydrophobicContact CB-CE1 4.31Å; F309-F313 AromaticContact CD1-CD1 3.72Å; F309-F313 HydrophobicContact CD1-CD1 3.72Å; F309-F313 AromaticContact CD1-CE1 3.48Å; F309-F313 HydrophobicContact CD1-CE1 3.48Å; F309-F313 VanDerWaalsContact CD1-CE1 3.48Å; F309-F313 HydrophobicContact CD1-CZ 4.29Å; F309-F313 AromaticContact CE1-CE1 3.92Å; F309-F313 HydrophobicContact CE1-CE1 3.92Å; F309-F313 HydrophobicContact CE1-CZ 4.43Å; F309-F313 AromaticContact CG-CD1 3.91Å; F309-F313 HydrophobicContact CG-CD1 3.91Å; F309-F313 AromaticContact CG-CE1 3.89Å; F309-F313 HydrophobicContact CG-CE1 3.89Å; P310-F313 HydrophobicContact CB-CB 4.36Å; P310-F313 WeakPolarHBondContact O-CA 3.3Å; P310-F313 WeakPolarHBondContact O-CB 3.31Å; P310-F313 PolarHBondContact O-N 3.39Å; D311-F313 VanDerWaalsContact C-N 3.31Å; D311-F313 PolarHBondContact O-N 3.11Å; F313-F315 VanDerWaalsContact C-N 3.28Å; F313-F315 PolarHBondContact O-N 2.81Å; F313-D316 PolarHBondContact O-N 3.05Å; F313-V317 HydrophobicContact CD1-CG2 4.09Å; F313-V317 HydrophobicContact CD2-CG2 4.3Å; F313-V317 HydrophobicContact CE1-CG2 3.63Å; F313-V317 HydrophobicContact CE2-CG2 3.85Å; F313-V317 HydrophobicContact CG-CG2 4.42Å; F313-V317 HydrophobicContact CZ-CG2 3.48Å; F313-V317 VanDerWaalsContact CZ-CG2 3.48Å; F313-V317 WeakPolarHBondContact O-CB 3.46Å; F313-V317 VanDerWaalsContact O-CG2 3.32Å; F313-V317 WeakPolarHBondContact O-CG2 3.32Å; F313-V317 PolarHBondContact O-N 3.41Å
314	V	91.4	Very high	85.9	Confident	15 Å²	15	47.9 Å²	47.9	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-40.8	178.3	179.6	0	0	0	0	110.8	F296 A297 L300 F309 P310 D311 W318	F296-V314 HydrophobicContact CD1-CG1 3.84Å; F296-V314 HydrophobicContact CE1-CG1 3.88Å; A297-V314 HydrophobicContact CB-CG1 3.84Å; L300-V314 HydrophobicContact CD2-CG1 4.23Å; L300-V314 HydrophobicContact CD2-CG2 3.86Å; F309-V314 HydrophobicContact CB-CG2 3.87Å; P310-V314 PolarHBondContact O-N 3.29Å; P310-V314 VanDerWaalsContact O-N 3.09Å; D311-V314 PolarHBondContact O-N 2.99Å; V314-W318 WeakPolarHBondContact O-CB 3.49Å; V314-W318 PolarHBondContact O-N 2.75Å
315	F	91.3	Very high	85.5	Confident	126 Å²	126	51.5 Å²	51.5	55%	0.553	29%	0.29	S	S	*	.	H	α-helix	trans	-64.9	-44.3	176.2	-172.9	-94	0	0	0	112.5	P293 D311 E312 F313 W318 G319	P293-F315 HydrophobicContact CG-CE2 4.44Å; D311-F315 PolarHBondContact O-N 2.81Å; E312-F315 PolarHBondContact O-N 3.18Å; F313-F315 VanDerWaalsContact C-N 3.28Å; F313-F315 PolarHBondContact O-N 2.81Å; F315-W318 WeakPolarHBondContact O-CB 3.33Å; F315-W318 PolarHBondContact O-N 2.8Å; F315-G319 PolarHBondContact O-N 3.4Å
316	D	93.3	Very high	85.5	Confident	63 Å²	63	56.1 Å²	56.1	34%	0.337	30%	0.303	S	S	.	.	H	α-helix	trans	-66.6	-38.4	178.4	-81.2	1.1	0	0	0	112.3	L267 Y271 E312 F313 G319 A320	L267-D316 HydrophobicContact CD1-CB 4.02Å; L267-D316 HydrophobicContact CD2-CB 4.1Å; Y271-D316 PolarHBondContact OH-OD2 3.43Å; E312-D316 PolarHBondContact O-N 2.88Å; F313-D316 PolarHBondContact O-N 3.05Å; D316-G319 PolarHBondContact O-N 2.7Å; D316-A320 WeakPolarHBondContact O-CB 3.49Å; D316-A320 PolarHBondContact O-N 3Å
317	V	92.9	Very high	85.2	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-45	173	169.5	0	0	0	0	110.7	V264 L267 M283 F296 F313 G319 A320 I321	V264-V317 HydrophobicContact CG1-CG1 4.3Å; V264-V317 HydrophobicContact CG1-CG2 4.23Å; V264-V317 HydrophobicContact CG2-CG1 3.95Å; L267-V317 HydrophobicContact CD1-CG2 3.85Å; M283-V317 HydrophobicContact CB-CG1 4.46Å; F296-V317 HydrophobicContact CE1-CB 4.22Å; F296-V317 HydrophobicContact CE1-CG1 3.82Å; F296-V317 HydrophobicContact CZ-CB 4.42Å; F296-V317 HydrophobicContact CZ-CG1 3.55Å; F313-V317 HydrophobicContact CD1-CG2 4.09Å; F313-V317 HydrophobicContact CD2-CG2 4.3Å; F313-V317 HydrophobicContact CE1-CG2 3.63Å; F313-V317 HydrophobicContact CE2-CG2 3.85Å; F313-V317 HydrophobicContact CG-CG2 4.42Å; F313-V317 HydrophobicContact CZ-CG2 3.48Å; F313-V317 VanDerWaalsContact CZ-CG2 3.48Å; F313-V317 WeakPolarHBondContact O-CB 3.46Å; F313-V317 VanDerWaalsContact O-CG2 3.32Å; F313-V317 WeakPolarHBondContact O-CG2 3.32Å; F313-V317 PolarHBondContact O-N 3.41Å; V317-G319 VanDerWaalsContact C-N 3.3Å; V317-G319 PolarHBondContact O-N 2.84Å; V317-A320 PolarHBondContact O-N 3Å; V317-I321 HydrophobicContact CG1-CD1 3.82Å; V317-I321 VanDerWaalsContact O-CG1 3.31Å; V317-I321 WeakPolarHBondContact O-CG1 3.39Å; V317-I321 PolarHBondContact O-N 3.42Å
318	W	92.6	Very high	84.7	Confident	43 Å²	43	58.5 Å²	58.5	16%	0.163	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-44.3	174.1	172.6	-104.8	0	0	0	111.7	K290 P293 F296 V314 F315 I321 G322	K290-W318 HydrophobicContact CB-CH2 4.32Å; K290-W318 HydrophobicContact CB-CZ3 3.9Å; K290-W318 VanDerWaalsContact O-CH2 3.3Å; K290-W318 WeakPolarHBondContact O-CH2 3.11Å; P293-W318 HydrophobicContact CB-CG 4.34Å; P293-W318 HydrophobicContact CG-CG 4.29Å; F296-W318 HydrophobicContact CB-CD2 4.42Å; F296-W318 HydrophobicContact CB-CE3 3.69Å; F296-W318 HydrophobicContact CB-CZ3 4.13Å; F296-W318 HydrophobicContact CD1-CB 3.88Å; F296-W318 HydrophobicContact CD1-CE3 4.23Å; F296-W318 HydrophobicContact CD2-CE3 4.4Å; F296-W318 HydrophobicContact CE1-CB 4.27Å; F296-W318 AromaticContact CG-CE3 3.85Å; F296-W318 HydrophobicContact CG-CE3 3.85Å; V314-W318 WeakPolarHBondContact O-CB 3.49Å; V314-W318 PolarHBondContact O-N 2.75Å; F315-W318 WeakPolarHBondContact O-CB 3.33Å; F315-W318 PolarHBondContact O-N 2.8Å; W318-I321 PolarHBondContact O-N 3Å; W318-G322 PolarHBondContact O-N 2.67Å
319	G	90.3	Very high	83.7	Confident	27 Å²	27	57.3 Å²	57.3	28%	0.278	30%	0.303	S	S	.	.	H	α-helix	trans	-58.4	-47.1	173.9	0	0	0	0	0	112.5	F315 D316 V317 I321 G322 D323	F315-G319 PolarHBondContact O-N 3.4Å; D316-G319 PolarHBondContact O-N 2.7Å; V317-G319 VanDerWaalsContact C-N 3.3Å; V317-G319 PolarHBondContact O-N 2.84Å; G319-I321 PolarHBondContact O-N 2.92Å; G319-G322 PolarHBondContact O-N 2.76Å; G319-D323 WeakPolarHBondContact O-CB 3.41Å; G319-D323 PolarHBondContact O-N 2.93Å
320	A	89.9	Confident	83.6	Confident	9 Å²	9	58.9 Å²	58.9	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-42.7	179.1	0	0	0	0	0	112.5	K263 L267 D316 V317 A324	K263-A320 HydrophobicContact CB-CB 4.1Å; L267-A320 HydrophobicContact CD1-CB 4.17Å; D316-A320 WeakPolarHBondContact O-CB 3.49Å; D316-A320 PolarHBondContact O-N 3Å; V317-A320 PolarHBondContact O-N 3Å; A320-A324 WeakPolarHBondContact O-CB 3.3Å; A320-A324 PolarHBondContact O-N 3.41Å
321	I	88.1	Confident	83.4	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-40	175.6	-63.7	166.1	0	0	0	110.6	V264 V284 F296 V317 W318 G319 A324 K325	V264-I321 HydrophobicContact CG2-CG1 4.37Å; V284-I321 HydrophobicContact CG2-CG1 4.22Å; F296-I321 HydrophobicContact CE2-CD1 4.17Å; F296-I321 HydrophobicContact CZ-CD1 4.15Å; V317-I321 HydrophobicContact CG1-CD1 3.82Å; V317-I321 VanDerWaalsContact O-CG1 3.31Å; V317-I321 WeakPolarHBondContact O-CG1 3.39Å; V317-I321 PolarHBondContact O-N 3.42Å; W318-I321 PolarHBondContact O-N 3Å; G319-I321 PolarHBondContact O-N 2.92Å; I321-A324 WeakPolarHBondContact O-CB 3.35Å; I321-A324 PolarHBondContact O-N 3.35Å; I321-K325 WeakPolarHBondContact O-CG 3.42Å; I321-K325 PolarHBondContact O-N 3.46Å
322	G	83.1	Confident	83.2	Confident	15 Å²	15	53.7 Å²	53.7	16%	0.155	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-41.2	178.2	0	0	0	0	0	113.5	W318 G319 A324 K325 Q326	W318-G322 PolarHBondContact O-N 2.67Å; G319-G322 PolarHBondContact O-N 2.76Å; G322-A324 VanDerWaalsContact C-N 3.31Å; G322-K325 WeakPolarHBondContact O-CB 3.33Å; G322-K325 PolarHBondContact O-N 3.24Å; G322-Q326 WeakPolarHBondContact O-CG 3.44Å; G322-Q326 PolarHBondContact O-N 2.83Å
323	D	81.6	Confident	82.8	Confident	48 Å²	48	48.6 Å²	48.6	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-65.5	-38.2	174.6	-75.9	-8.1	0	0	0	111.1	G319 Q326 G327 R328 I329	G319-D323 WeakPolarHBondContact O-CB 3.41Å; G319-D323 PolarHBondContact O-N 2.93Å; D323-Q326 PolarHBondContact O-N 2.82Å; D323-G327 PolarHBondContact O-N 3.48Å; D323-R328 HydrophobicContact CB-CB 4.46Å; D323-R328 PolarHBondContact O-N 3.4Å; D323-R328 IonicContact OD1-CZ 3.02Å; D323-R328 IonicContact OD1-NH1 2.8Å; D323-R328 PolarHBondContact OD1-NH1 3.43Å; D323-R328 IonicContact OD1-NH2 2.75Å; D323-R328 PolarHBondContact OD1-NH2 2.97Å; D323-I329 HydrophobicContact CB-CG2 3.52Å
324	A	77.9	Confident	82.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-52.9	-59.1	167.9	0	0	0	0	0	109.6	F256 A260 A320 I321 G322 Q326 G327 I329	F256-A324 HydrophobicContact CD2-CB 4.24Å; F256-A324 WeakPolarHBondContact CD2-O 3.47Å; F256-A324 HydrophobicContact CE1-CB 4.06Å; F256-A324 HydrophobicContact CE2-CB 3.76Å; F256-A324 WeakPolarHBondContact CE2-O 2.82Å; F256-A324 HydrophobicContact CZ-CB 3.55Å; A260-A324 HydrophobicContact CB-CB 3.76Å; A320-A324 WeakPolarHBondContact O-CB 3.3Å; A320-A324 PolarHBondContact O-N 3.41Å; I321-A324 WeakPolarHBondContact O-CB 3.35Å; I321-A324 PolarHBondContact O-N 3.35Å; G322-A324 VanDerWaalsContact C-N 3.31Å; A324-Q326 PolarHBondContact O-N 3.37Å; A324-G327 PolarHBondContact O-N 3.21Å; A324-I329 HydrophobicContact CB-CD1 3.3Å; A324-I329 HydrophobicContact CB-CG1 4.23Å
325	K	74.1	Confident	81.6	Confident	84 Å²	84	54.1 Å²	54.1	37%	0.365	29%	0.287	S	S	.	.	H	α-helix	trans	-47.9	-31.5	-177.1	-76.7	-178.7	-170.3	176	0	113.5	F256 G287 R288 I321 G322	F256-K325 HydrophobicContact CE2-CB 4.42Å; F256-K325 HydrophobicContact CE2-CG 4.42Å; F256-K325 HydrophobicContact CZ-CB 4.14Å; F256-K325 HydrophobicContact CZ-CG 3.67Å; G287-K325 PolarHBondContact O-NZ 2.94Å; R288-K325 WeakPolarHBondContact O-CE 3.43Å; R288-K325 PolarHBondContact O-NZ 3.16Å; I321-K325 WeakPolarHBondContact O-CG 3.42Å; I321-K325 PolarHBondContact O-N 3.46Å; G322-K325 WeakPolarHBondContact O-CB 3.33Å; G322-K325 PolarHBondContact O-N 3.24Å
326	Q	75.2	Confident	80.9	Confident	127 Å²	127	49 Å²	49	59%	0.593	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	5.2	-175.5	-62.5	173.9	26.2	0	0	113.7	G322 D323 A324 R328	G322-Q326 WeakPolarHBondContact O-CG 3.44Å; G322-Q326 PolarHBondContact O-N 2.83Å; D323-Q326 PolarHBondContact O-N 2.82Å; A324-Q326 PolarHBondContact O-N 3.37Å; Q326-R328 VanDerWaalsContact C-N 3.27Å; Q326-R328 HydrophobicContact CB-CG 4.09Å; Q326-R328 PolarHBondContact O-N 3.48Å
327	G	69.4	Low	80	Confident	65 Å²	65	47.9 Å²	47.9	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	23.2	-179.6	0	0	0	0	0	113.7	D323 A324 I329	D323-G327 PolarHBondContact O-N 3.48Å; A324-G327 PolarHBondContact O-N 3.21Å; G327-I329 VanDerWaalsContact C-N 3.28Å; G327-I329 PolarHBondContact O-N 3.36Å
328	R	66.9	Low	78.9	Confident	143 Å²	143	51.9 Å²	51.9	54%	0.54	28%	0.284	S	S	.	.			trans	-90.5	17	-175.6	-64.1	-165.6	-83.1	112.1	6.1	113	D323 Q326	D323-R328 HydrophobicContact CB-CB 4.46Å; D323-R328 PolarHBondContact O-N 3.4Å; D323-R328 IonicContact OD1-CZ 3.02Å; D323-R328 IonicContact OD1-NH1 2.8Å; D323-R328 PolarHBondContact OD1-NH1 3.43Å; D323-R328 IonicContact OD1-NH2 2.75Å; D323-R328 PolarHBondContact OD1-NH2 2.97Å; Q326-R328 VanDerWaalsContact C-N 3.27Å; Q326-R328 HydrophobicContact CB-CG 4.09Å; Q326-R328 PolarHBondContact O-N 3.48Å
329	I	57.8	Low	77.7	Confident	61 Å²	61	52.7 Å²	52.7	31%	0.313	30%	0.295	S	S	.	.			trans	-134	0	-170.2	70.3	170.5	0	0	0	115.4	K259 K263 D323 A324 G327	K259-I329 HydrophobicContact CB-CD1 3.62Å; K259-I329 HydrophobicContact CB-CG1 4.18Å; K259-I329 HydrophobicContact CD-CD1 4.44Å; K259-I329 HydrophobicContact CD-CG1 4.1Å; K259-I329 PolarHBondContact NZ-O 3.44Å; K263-I329 HydrophobicContact CD-CB 4.29Å; K263-I329 HydrophobicContact CD-CD1 4.2Å; K263-I329 HydrophobicContact CD-CG2 4.06Å; D323-I329 HydrophobicContact CB-CG2 3.52Å; A324-I329 HydrophobicContact CB-CD1 3.3Å; A324-I329 HydrophobicContact CB-CG1 4.23Å; G327-I329 VanDerWaalsContact C-N 3.28Å; G327-I329 PolarHBondContact O-N 3.36Å

Retrieved 329 of 329 residues in 375.3 ms (Link to these results)

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