A0A3Q0KEH4_SCHMA Loading...

Putative polypyrimidine tract binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KEH4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 620 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36.3	Very low	36.7	Very low	240 Å²	240	123.7 Å²	123.7	100%	1.182	75%	0.746	S	S	*	*				0	121.7	0	-61.3	173.8	-178.5	0	0	107.1
2	S	34.2	Very low	36.5	Very low	104 Å²	104	124.3 Å²	124.3	73%	0.727	76%	0.761	S	S	*	*			cis	-152	129.5	-7.6	-69.3	0	0	0	0	109.9
3	T	33.6	Very low	36.5	Very low	148 Å²	148	130.4 Å²	130.4	91%	0.908	77%	0.77	S	S	*	*			trans	-108.4	100.3	177.7	46.5	0	0	0	0	110
4	S	36	Very low	36.5	Very low	92 Å²	92	139.1 Å²	139.1	64%	0.643	78%	0.783	S	S	*	*			trans	-154.4	-12.5	-176.5	49.6	0	0	0	0	118.4	L6	S4-L6 PolarHBondContact O-N 3.14Å
5	A	38.9	Very low	36.3	Very low	75 Å²	75	141.2 Å²	141.2	62%	0.62	78%	0.78	S	S	*	*	H	α-helix	trans	-68.8	-32.1	-169.6	0	0	0	0	0	115.9	T7	A5-T7 PolarHBondContact O-N 3.17Å
6	L	38.5	Very low	36.6	Very low	160 Å²	160	147.6 Å²	147.6	84%	0.838	79%	0.789	S	S	*	*	H	α-helix	trans	-83.5	-7.7	-169.2	-101.2	159.1	0	0	0	115.8	S4	S4-L6 PolarHBondContact O-N 3.14Å
7	T	38.2	Very low	36.5	Very low	110 Å²	110	144.7 Å²	144.7	68%	0.675	77%	0.773	S	S	*	*	H	α-helix	trans	-95.4	-22.8	-179	-49.8	0	0	0	0	112.6	A5	A5-T7 PolarHBondContact O-N 3.17Å
8	A	40.7	Very low	36.5	Very low	78 Å²	78	147.3 Å²	147.3	65%	0.645	78%	0.78	S	S	*	*	H	α-helix	trans	-75.2	-34.4	-174.8	0	0	0	0	0	113.9	M10	A8-M10 VanDerWaalsContact C-N 3.28Å; A8-M10 PolarHBondContact O-N 3.18Å
9	L	36.3	Very low	36.8	Very low	130 Å²	130	144 Å²	144	68%	0.681	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-5	-172.2	-90.8	84.2	0	0	0	116
10	M	38.6	Very low	36.8	Very low	133 Å²	133	145.3 Å²	145.3	66%	0.655	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	12.7	-172.1	-76.2	-82.6	168.9	0	0	114.3	A8	A8-M10 VanDerWaalsContact C-N 3.28Å; A8-M10 PolarHBondContact O-N 3.18Å
11	S	32.7	Very low	36.8	Very low	91 Å²	91	141.8 Å²	141.8	64%	0.636	78%	0.781	S	S	*	*			trans	-127.5	56.3	-173	-71.7	0	0	0	0	115.2	K13	S11-K13 VanDerWaalsContact C-N 3.3Å; S11-K13 PolarHBondContact O-N 3.34Å
12	S	33.8	Very low	36.9	Very low	131 Å²	131	139.7 Å²	139.7	92%	0.916	77%	0.765	S	S	*	*			trans	-80.5	72.2	169.2	-63.7	0	0	0	0	112.2
13	K	37	Very low	37	Very low	203 Å²	203	141 Å²	141	88%	0.883	76%	0.762	S	S	*	*			trans	-86	112.8	171	-138.2	175.9	-174.1	179.4	0	109	S11 K15	S11-K13 VanDerWaalsContact C-N 3.3Å; S11-K13 PolarHBondContact O-N 3.34Å; K13-K15 PolarHBondContact O-N 2.94Å
14	R	35.7	Very low	37.4	Very low	252 Å²	252	140.9 Å²	140.9	95%	0.951	75%	0.754	S	S	*	*			trans	-63.1	124.7	-179.5	-68.3	175.1	176.5	154.6	-2.9	110.6
15	K	33.3	Very low	37.4	Very low	171 Å²	171	144.2 Å²	144.2	74%	0.743	76%	0.764	S	S	*	*			trans	-103.8	141.8	159.7	-167.6	-177.1	-177	-119.5	0	107.6	K13 D17	K13-K15 PolarHBondContact O-N 2.94Å; K15-D17 WeakPolarHBondContact CE-OD1 3.45Å; K15-D17 IonicContact NZ-OD1 2.69Å; K15-D17 PolarHBondContact NZ-OD1 3.2Å
16	R	41	Very low	37.4	Very low	244 Å²	244	144.2 Å²	144.2	92%	0.921	77%	0.772	S	S	*	*			trans	-134.9	131.5	171.8	-170	-172.2	-74.9	166.9	-7.9	106.2
17	D	36.1	Very low	37.3	Very low	98 Å²	98	144.9 Å²	144.9	52%	0.524	78%	0.776	S	S	.	*			trans	-96.6	161.9	-168.2	-65.1	-64.9	0	0	0	113.2	K15	K15-D17 WeakPolarHBondContact CE-OD1 3.45Å; K15-D17 IonicContact NZ-OD1 2.69Å; K15-D17 PolarHBondContact NZ-OD1 3.2Å
18	E	36.6	Very low	37.4	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	78%	0.783	S	S	*	*			trans	59.5	137.7	156.1	-67.7	170.1	151.2	0	0	118.7
19	A	40.9	Very low	37.3	Very low	84 Å²	84	148.8 Å²	148.8	69%	0.694	79%	0.794	S	S	*	*			cis	-164.5	162.1	28.9	0	0	0	0	0	113.3
20	N	37.6	Very low	37.4	Very low	170 Å²	170	146.6 Å²	146.6	91%	0.909	80%	0.795	S	S	*	*			trans	48.1	130.4	152.2	-70.1	-10.3	0	0	0	123.3
21	G	37	Very low	37.4	Very low	72 Å²	72	145.9 Å²	145.9	74%	0.742	80%	0.8	S	S	*	*			trans	137.9	96.9	137	0	0	0	0	0	119.5
22	F	37.2	Very low	37.4	Very low	195 Å²	195	149.2 Å²	149.2	86%	0.855	81%	0.808	S	S	*	*			trans	-9.1	155.4	142.1	-78.5	-109.9	0	0	0	119.5
23	I	37.7	Very low	37.4	Very low	131 Å²	131	150.2 Å²	150.2	67%	0.672	80%	0.798	S	S	*	*			cis	-170.4	152.6	-20.1	-135.9	-176.9	0	0	0	109.7
24	M	41.7	Very low	37.2	Very low	147 Å²	147	147.5 Å²	147.5	72%	0.724	80%	0.799	S	S	*	*			trans	57.7	126.5	157.3	-64.5	-69	-171.2	0	0	124.7
25	N	36.6	Very low	37	Very low	161 Å²	161	142.4 Å²	142.4	86%	0.861	79%	0.79	S	S	*	*			trans	61.7	131.5	134.9	-72.7	10.7	0	0	0	124.9
26	G	38.8	Very low	37.1	Very low	76 Å²	76	140 Å²	140	78%	0.784	79%	0.79	S	S	*	*			trans	174	114.1	156.2	0	0	0	0	0	113.5
27	N	36.3	Very low	36.7	Very low	174 Å²	174	135.8 Å²	135.8	93%	0.93	79%	0.786	S	S	*	*			trans	-69.9	149.8	-175.1	-74.9	3.8	0	0	0	114.9
28	G	40.6	Very low	36.6	Very low	80 Å²	80	139.4 Å²	139.4	83%	0.825	80%	0.8	S	S	*	*			trans	-165.2	136.5	163.7	0	0	0	0	0	111.4
29	H	37.7	Very low	36.5	Very low	190 Å²	190	137 Å²	137	88%	0.88	79%	0.792	S	S	*	*			trans	-103.7	138.7	-159.3	-124.1	-86.9	0	0	0	115.4
30	A	38	Very low	36.3	Very low	83 Å²	83	143 Å²	143	69%	0.686	80%	0.803	S	S	*	*			trans	69.5	169.4	146.7	0	0	0	0	0	119.6
31	P	38.5	Very low	36.3	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	80%	0.801	S	S	*	*				-135.2	138	-63.2	36.9	-22.6	0	0	0	113.1
32	M	33	Very low	36.5	Very low	161 Å²	161	145.8 Å²	145.8	79%	0.793	80%	0.8	S	S	*	*			trans	-156.5	131.6	166.4	-143.4	158.6	176.6	0	0	115.7
33	E	34.9	Very low	36.6	Very low	152 Å²	152	147.8 Å²	147.8	71%	0.71	80%	0.801	S	S	*	*			trans	48.4	107.2	149.7	-70.5	165.3	-171.6	0	0	120.8	D35	E33-D35 PolarHBondContact O-N 3.23Å
34	T	31.5	Very low	37.3	Very low	146 Å²	146	146.3 Å²	146.3	90%	0.896	79%	0.794	S	S	*	*			trans	-72.8	91.4	158.3	46.9	0	0	0	0	110.6
35	D	32.1	Very low	37.3	Very low	145 Å²	145	146.4 Å²	146.4	78%	0.775	79%	0.792	S	S	*	*			trans	-99.1	120.6	171.7	-137.6	-9.9	0	0	0	111.3	E33 N37	E33-D35 PolarHBondContact O-N 3.23Å; D35-N37 PolarHBondContact O-N 3.08Å
36	T	35.1	Very low	38.2	Very low	121 Å²	121	144.4 Å²	144.4	74%	0.742	77%	0.774	S	S	*	*			trans	-75.6	115.5	-175.8	41.5	0	0	0	0	110.7	E38	T36-E38 PolarHBondContact O-N 3.27Å
37	N	32.8	Very low	39	Very low	155 Å²	155	144.5 Å²	144.5	83%	0.829	76%	0.759	S	S	*	*			trans	-76.1	65.4	-175.3	-163.2	-14	0	0	0	113.5	D35	D35-N37 PolarHBondContact O-N 3.08Å
38	E	34.1	Very low	40.1	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	76%	0.755	S	S	*	*			trans	-98.8	62.5	170	-74	-126.2	118.3	0	0	111	T36	T36-E38 PolarHBondContact O-N 3.27Å
39	N	34.6	Very low	41.5	Very low	140 Å²	140	142.8 Å²	142.8	75%	0.749	73%	0.726	S	S	*	*			trans	-148.3	76.3	170.6	-103.1	-42.2	0	0	0	114
40	K	36.8	Very low	43.8	Very low	210 Å²	210	139.3 Å²	139.3	91%	0.913	72%	0.718	S	S	*	*			trans	-124.9	53.2	162.8	-101.7	178.8	179.7	169.5	0	112.4	S42	K40-S42 PolarHBondContact O-N 3.04Å
41	K	37.1	Very low	46.4	Very low	201 Å²	201	137.9 Å²	137.9	87%	0.874	70%	0.702	S	S	*	*			trans	-69.5	118	164.6	-123.3	169.3	-176.7	171.3	0	108.6	R43	K41-R43 PolarHBondContact O-N 3.06Å; K41-R43 VanDerWaalsContact O-N 3.17Å
42	S	40.6	Very low	49.1	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	67%	0.665	S	S	*	*			trans	-68.1	108.8	-166.7	53.7	0	0	0	0	113.3	K40 I44	K40-S42 PolarHBondContact O-N 3.04Å; S42-I44 PolarHBondContact O-N 3.46Å
43	R	40.3	Very low	52.1	Low	236 Å²	236	126.8 Å²	126.8	89%	0.891	64%	0.637	S	S	*	*			trans	-63.9	110.2	159.7	-179.1	173.9	172.8	172.3	-3.9	108	K41 E45	K41-R43 PolarHBondContact O-N 3.06Å; K41-R43 VanDerWaalsContact O-N 3.17Å; R43-E45 PolarHBondContact O-N 3.35Å
44	I	52.9	Low	55	Low	100 Å²	100	119.6 Å²	119.6	51%	0.513	60%	0.603	S	S	.	*			trans	-71.4	101.8	-178.8	-66.4	170.5	0	0	0	108.5	S42 Y46	S42-I44 PolarHBondContact O-N 3.46Å; I44-Y46 HydrophobicContact CG2-CE2 4.5Å
45	E	41.9	Very low	58.2	Low	149 Å²	149	112.6 Å²	112.6	70%	0.696	56%	0.561	S	S	*	*			trans	-80.8	127.5	176.5	-158.6	162.5	-132.7	0	0	109.7	R43 V47	R43-E45 PolarHBondContact O-N 3.35Å; E45-V47 PolarHBondContact O-N 3.3Å
46	Y	53.8	Low	61.2	Low	120 Å²	120	107.6 Å²	107.6	47%	0.471	53%	0.532	S	S	.	.			trans	-85.2	106.8	171.3	-80.2	-98.9	0	0	0	108.1	I44 E48 Q123	I44-Y46 HydrophobicContact CG2-CE2 4.5Å; Y46-E48 PolarHBondContact O-N 3Å; Y46-Q123 VanDerWaalsContact CD1-NE2 3.26Å
47	V	57.4	Low	64.1	Low	78 Å²	78	101.8 Å²	101.8	47%	0.473	50%	0.497	S	S	.	.			trans	-82.2	105.1	171.7	-174.1	0	0	0	0	107.4	E45 T49	E45-V47 PolarHBondContact O-N 3.3Å; V47-T49 HydrophobicContact CG1-CG2 4.18Å; V47-T49 PolarHBondContact O-N 3.22Å; V47-T49 VanDerWaalsContact O-N 3.16Å; V47-T49 PolarHBondContact O-OG1 3.45Å
48	E	58.7	Low	67.1	Low	182 Å²	182	97.2 Å²	97.2	85%	0.85	47%	0.468	S	S	*	.			trans	-59.9	120.2	169	-72.5	-173	157.1	0	0	108.9	Y46	Y46-E48 PolarHBondContact O-N 3Å
49	T	70.5	Confident	69.9	Low	36 Å²	36	92.5 Å²	92.5	22%	0.221	45%	0.448	C	S	.	.			trans	-127.4	144.7	-178	31.3	0	0	0	0	106.9	V47 Y124 K126	V47-T49 HydrophobicContact CG1-CG2 4.18Å; V47-T49 PolarHBondContact O-N 3.22Å; V47-T49 VanDerWaalsContact O-N 3.16Å; V47-T49 PolarHBondContact O-OG1 3.45Å; T49-Y124 PolarHBondContact OG1-O 2.79Å; T49-K126 HydrophobicContact CG2-CG 4.34Å
50	V	86.5	Confident	72.7	Confident	117 Å²	117	85.8 Å²	85.8	71%	0.709	41%	0.413	S	S	*	.			trans	-56.2	137.6	173.3	-178.9	0	0	0	0	108.2
51	P	91.8	Very high	75.2	Confident	52 Å²	52	76 Å²	76	34%	0.338	37%	0.37	S	S	.	.			trans	-48.7	142.3	175.8	-30.8	37	0	0	0	112.9	L98 I102 Y124 Q128	P51-L98 HydrophobicContact CB-CD1 4.05Å; P51-I102 HydrophobicContact CB-CD1 4.01Å; P51-I102 HydrophobicContact CB-CG1 3.96Å; P51-I102 HydrophobicContact CG-CD1 4.49Å; P51-Y124 HydrophobicContact CB-CE1 4.28Å; P51-Y124 HydrophobicContact CB-CE2 4.38Å; P51-Y124 HydrophobicContact CG-CE2 4.18Å; P51-Q128 PolarHBondContact O-NE2 3.35Å
52	S	94.7	Very high	77.7	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.353	C	S	.	.			trans	-140.2	149.7	-179.7	169.9	0	0	0	0	109.6	V54 A101 S125 H127	S52-V54 PolarHBondContact O-N 3.47Å; S52-V54 PolarHBondContact OG-N 2.82Å; S52-A101 WeakPolarHBondContact O-CB 3.44Å; S52-S125 WeakPolarHBondContact CB-O 3.42Å; S52-H127 PolarHBondContact OG-O 3.05Å
53	K	96	Very high	80	Confident	48 Å²	48	70.3 Å²	70.3	21%	0.209	34%	0.341	C	S	.	.	S	Bend	trans	-57.5	-27	166.9	-73.5	-170.7	174.7	-153.5	0	112.6	E80 E94 M95 Q96 L98	K53-E80 IonicContact NZ-OE2 3.84Å; K53-E80 PolarHBondContact NZ-OE2 3.49Å; K53-E94 HydrophobicContact CB-CG 4.43Å; K53-M95 WeakPolarHBondContact CD-O 3.2Å; K53-M95 PolarHBondContact O-N 3.37Å; K53-Q96 WeakPolarHBondContact CE-O 3.17Å; K53-Q96 PolarHBondContact NZ-O 3.12Å; K53-L98 HydrophobicContact CG-CB 4.27Å
54	V	96.9	Very high	82.4	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.2	-177.2	-175.7	0	0	0	0	110.2	S52 L92 L93 E94 S125 L130	S52-V54 PolarHBondContact O-N 3.47Å; S52-V54 PolarHBondContact OG-N 2.82Å; V54-L92 HydrophobicContact CG1-CB 4.11Å; V54-L92 HydrophobicContact CG1-CD2 4.1Å; V54-L93 CarbonylContact C-O 3.57Å; V54-L93 WeakPolarHBondContact CA-O 3.24Å; V54-E94 HydrophobicContact CG2-CB 4.08Å; V54-E94 HydrophobicContact CG2-CG 3.92Å; V54-S125 WeakPolarHBondContact O-CB 3.49Å; V54-S125 PolarHBondContact O-N 2.97Å; V54-L130 HydrophobicContact CG1-CD1 4.37Å; V54-L130 HydrophobicContact CG1-CD2 3.69Å; V54-L130 HydrophobicContact CG1-CG 4.03Å; V54-L130 HydrophobicContact CG2-CD2 4.28Å; V54-L130 HydrophobicContact CG2-CG 4.02Å
55	V	97	Very high	84.2	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.2	175.6	-179	0	0	0	0	110	I57 L92 L93 A101 M104 V105 M122 Q123	V55-I57 HydrophobicContact CG1-CG1 4.48Å; V55-L92 WeakPolarHBondContact O-CA 3.45Å; V55-L93 PolarHBondContact N-O 3.05Å; V55-L93 PolarHBondContact O-N 3.46Å; V55-A101 HydrophobicContact CG2-CB 3.84Å; V55-M104 HydrophobicContact CB-SD 4.27Å; V55-M104 HydrophobicContact CG1-CE 4.43Å; V55-M104 HydrophobicContact CG1-SD 4.22Å; V55-M104 HydrophobicContact CG2-SD 3.98Å; V55-V105 HydrophobicContact CB-CG2 4.48Å; V55-V105 HydrophobicContact CG1-CG2 3.84Å; V55-V105 HydrophobicContact CG2-CG2 3.9Å; V55-M122 HydrophobicContact CG1-CB 4.18Å; V55-Q123 CarbonylContact C-O 3.58Å; V55-Q123 WeakPolarHBondContact CA-O 3.43Å
56	H	96.3	Very high	86.6	Confident	39 Å²	39	51.7 Å²	51.7	18%	0.181	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.5	171.4	-173.2	-151.8	0	0	0	110.7	R58 Q90 A91 L92 M122 Q123	H56-R58 VanDerWaalsContact CE1-CG 3.47Å; H56-R58 WeakPolarHBondContact CE1-CG 3.32Å; H56-Q90 PolarHBondContact CE1-OE1 3.27Å; H56-Q90 PolarHBondContact NE2-OE1 2.94Å; H56-A91 PolarHBondContact CD2-O 2.83Å; H56-L92 HydrophobicContact CB-CD2 3.93Å; H56-M122 WeakPolarHBondContact O-CA 3.48Å; H56-Q123 PolarHBondContact N-O 2.71Å; H56-Q123 PolarHBondContact O-N 2.96Å
57	I	96	Very high	88.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.9	178	-57.7	-179.8	0	0	0	107.5	V55 I69 L72 Q90 A91 L93 M104 L120 M122	V55-I57 HydrophobicContact CG1-CG1 4.48Å; I57-I69 HydrophobicContact CD1-CG2 3.76Å; I57-L72 HydrophobicContact CD1-CD1 4.43Å; I57-Q90 CarbonylContact O-C 3.56Å; I57-Q90 VanDerWaalsContact O-CA 3.24Å; I57-Q90 WeakPolarHBondContact O-CA 3.44Å; I57-A91 HydrophobicContact CB-CB 4.22Å; I57-A91 PolarHBondContact N-O 3.47Å; I57-A91 PolarHBondContact O-N 2.91Å; I57-L93 HydrophobicContact CD1-CB 4.33Å; I57-L93 HydrophobicContact CD1-CD2 4.44Å; I57-M104 HydrophobicContact CD1-CE 4.44Å; I57-L120 HydrophobicContact CG2-CB 4.45Å; I57-L120 HydrophobicContact CG2-CD1 4.22Å; I57-M122 HydrophobicContact CB-SD 4.03Å; I57-M122 HydrophobicContact CD1-CE 4.42Å; I57-M122 HydrophobicContact CD1-SD 4.49Å; I57-M122 HydrophobicContact CG1-CE 4.28Å; I57-M122 HydrophobicContact CG1-SD 3.74Å; I57-M122 HydrophobicContact CG2-CE 4.07Å; I57-M122 HydrophobicContact CG2-SD 3.81Å
58	R	95	Very high	90.1	Very high	58 Å²	58	48.2 Å²	48.2	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	158.9	-179.9	-53.1	-175.7	-61.2	178.1	5.9	111.4	H56 M60 Q90 L120 V121 Q123	H56-R58 VanDerWaalsContact CE1-CG 3.47Å; H56-R58 WeakPolarHBondContact CE1-CG 3.32Å; R58-M60 PolarHBondContact O-N 3.27Å; R58-Q90 HydrophobicContact CG-CG 4.37Å; R58-L120 WeakPolarHBondContact O-CA 3.49Å; R58-V121 HydrophobicContact CB-CB 4.38Å; R58-V121 PolarHBondContact N-O 2.96Å; R58-V121 PolarHBondContact O-N 3.32Å; R58-Q123 VanDerWaalsContact NH2-OE1 3.12Å
59	N	93.5	Very high	91.8	Very high	75 Å²	75	39.6 Å²	39.6	40%	0.401	21%	0.209	S	C	.	.	S	Bend	trans	64.2	24.3	-177.3	-162.4	37.4	0	0	0	114	N89 N119 L120	N59-N89 PolarHBondContact N-O 3.46Å; N59-N119 PolarHBondContact ND2-O 2.95Å; N59-L120 WeakPolarHBondContact O-CD2 3.39Å
60	M	92.7	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.			trans	-62.3	134.9	171.6	-173.2	-172.4	77	0	0	109.8	R58 A64 I69 L84 K86 N89 A91 L120	R58-M60 PolarHBondContact O-N 3.27Å; M60-A64 HydrophobicContact CE-CB 4.47Å; M60-A64 HydrophobicContact CG-CB 3.65Å; M60-A64 HydrophobicContact SD-CB 4Å; M60-I69 HydrophobicContact CG-CD1 3.79Å; M60-I69 HydrophobicContact CG-CG1 4.48Å; M60-I69 HydrophobicContact SD-CD1 3.66Å; M60-I69 HydrophobicContact SD-CG1 3.73Å; M60-L84 HydrophobicContact CE-CD2 4.37Å; M60-L84 HydrophobicContact SD-CD2 4.15Å; M60-K86 HydrophobicContact CE-CG 4.28Å; M60-N89 PolarHBondContact N-O 2.77Å; M60-N89 VanDerWaalsContact O-CA 3.27Å; M60-N89 WeakPolarHBondContact O-CA 3.44Å; M60-N89 WeakPolarHBondContact O-CB 3.49Å; M60-N89 PolarHBondContact O-OD1 2.94Å; M60-A91 HydrophobicContact SD-CB 3.93Å; M60-L120 HydrophobicContact CB-CD2 4.43Å
61	P	90.3	Very high	93.3	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.019	17%	0.173	C	C	.	.			trans	-71.1	153.8	173.1	29.8	-31.9	0	0	0	111.8	D63 A64 L115 R116	P61-D63 VanDerWaalsContact C-N 3.26Å; P61-D63 WeakPolarHBondContact CB-OD1 2.82Å; P61-D63 PolarHBondContact O-N 3.24Å; P61-A64 HydrophobicContact CG-CB 4.22Å; P61-A64 VanDerWaalsContact O-CB 3.23Å; P61-A64 WeakPolarHBondContact O-CB 3.29Å; P61-A64 PolarHBondContact O-N 2.89Å; P61-L115 HydrophobicContact CG-CB 4.39Å; P61-L115 HydrophobicContact CG-CD2 3.44Å; P61-L115 VanDerWaalsContact CG-CD2 3.44Å; P61-R116 HydrophobicContact CG-CB 4.32Å
62	D	88.6	Confident	93.5	Very high	97 Å²	97	31.5 Å²	31.5	52%	0.519	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.6	-173.1	49.3	-53.5	0	0	0	113.3	R118	D62-R118 IonicContact OD1-NH1 2.74Å
63	D	89	Confident	93.5	Very high	86 Å²	86	31.5 Å²	31.5	46%	0.46	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.5	174.1	80	-46.7	0	0	0	114	P61 T65 R116	P61-D63 VanDerWaalsContact C-N 3.26Å; P61-D63 WeakPolarHBondContact CB-OD1 2.82Å; P61-D63 PolarHBondContact O-N 3.24Å; D63-T65 PolarHBondContact O-N 3.11Å; D63-R116 VanDerWaalsContact CG-NE 3.33Å; D63-R116 WeakPolarHBondContact OD1-CD 3.31Å; D63-R116 IonicContact OD1-NE 2.71Å; D63-R116 PolarHBondContact OD1-NE 3.44Å; D63-R116 IonicContact OD2-CZ 2.76Å; D63-R116 IonicContact OD2-NE 3.75Å; D63-R116 PolarHBondContact OD2-NE 2.99Å; D63-R116 IonicContact OD2-NH2 3.59Å; D63-R116 PolarHBondContact OD2-NH2 3.47Å
64	A	90.3	Very high	93.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.			trans	-59.5	133.5	178.5	0	0	0	0	0	111.3	M60 P61 I69 K86 L115	M60-A64 HydrophobicContact CE-CB 4.47Å; M60-A64 HydrophobicContact CG-CB 3.65Å; M60-A64 HydrophobicContact SD-CB 4Å; P61-A64 HydrophobicContact CG-CB 4.22Å; P61-A64 VanDerWaalsContact O-CB 3.23Å; P61-A64 WeakPolarHBondContact O-CB 3.29Å; P61-A64 PolarHBondContact O-N 2.89Å; A64-I69 HydrophobicContact CB-CD1 4.16Å; A64-I69 HydrophobicContact CB-CG1 4.36Å; A64-K86 WeakPolarHBondContact O-CE 3.25Å; A64-K86 PolarHBondContact O-NZ 3.35Å; A64-L115 HydrophobicContact CB-CD2 3.91Å
65	T	92.3	Very high	93	Very high	56 Å²	56	29.6 Å²	29.6	34%	0.344	15%	0.15	S	C	.	.			trans	-87	153.8	176	65.8	0	0	0	0	111.3	D63 H67 E68 I69	D63-T65 PolarHBondContact O-N 3.11Å; T65-H67 PolarHBondContact O-N 3.28Å; T65-E68 WeakPolarHBondContact CB-OE2 3.02Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 3.47Å; T65-E68 PolarHBondContact O-N 2.95Å; T65-E68 WeakPolarHBondContact OG1-CB 3.43Å; T65-E68 WeakPolarHBondContact OG1-CG 3.04Å; T65-E68 PolarHBondContact OG1-N 3.3Å; T65-E68 PolarHBondContact OG1-OE2 3.42Å; T65-I69 PolarHBondContact O-N 3.05Å
66	E	91.8	Very high	92.9	Very high	39 Å²	39	30.1 Å²	30.1	18%	0.182	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-37.3	177.1	-62.7	67.9	-155.1	0	0	110.7	A70 M82 L84 K86 I139 A142	E66-A70 WeakPolarHBondContact O-CB 3.43Å; E66-A70 PolarHBondContact O-N 3.42Å; E66-M82 HydrophobicContact CB-CE 4.14Å; E66-M82 WeakPolarHBondContact O-CE 3.39Å; E66-L84 HydrophobicContact CG-CD1 4.13Å; E66-L84 HydrophobicContact CG-CD2 4.2Å; E66-K86 WeakPolarHBondContact OE1-CE 3.49Å; E66-K86 IonicContact OE1-NZ 2.8Å; E66-K86 PolarHBondContact OE1-NZ 3.16Å; E66-K86 IonicContact OE2-NZ 2.68Å; E66-I139 HydrophobicContact CB-CG1 4.37Å; E66-I139 HydrophobicContact CG-CG1 3.77Å; E66-A142 HydrophobicContact CB-CB 3.78Å
67	H	92	Very high	92.6	Very high	74 Å²	74	29 Å²	29	34%	0.343	15%	0.152	S	C	.	.	H	α-helix	trans	-67.1	-43.9	177.4	-173.8	58.4	0	0	0	112.8	T65 I69 A70 L71 A142	T65-H67 PolarHBondContact O-N 3.28Å; H67-I69 VanDerWaalsContact C-N 3.3Å; H67-I69 PolarHBondContact O-N 2.86Å; H67-A70 PolarHBondContact O-N 2.86Å; H67-L71 WeakPolarHBondContact O-CG 3.33Å; H67-L71 PolarHBondContact O-N 3.25Å; H67-A142 HydrophobicContact CB-CB 4.4Å
68	E	92.7	Very high	92.4	Very high	51 Å²	51	31.6 Å²	31.6	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-37.2	177.7	-73.7	163.6	133.9	0	0	112.5	T65 L115 R116	T65-E68 WeakPolarHBondContact CB-OE2 3.02Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 3.47Å; T65-E68 PolarHBondContact O-N 2.95Å; T65-E68 WeakPolarHBondContact OG1-CB 3.43Å; T65-E68 WeakPolarHBondContact OG1-CG 3.04Å; T65-E68 PolarHBondContact OG1-N 3.3Å; T65-E68 PolarHBondContact OG1-OE2 3.42Å; E68-L115 HydrophobicContact CB-CD1 4.29Å; E68-R116 VanDerWaalsContact CD-NH2 3.32Å; E68-R116 IonicContact OE1-CZ 3.74Å; E68-R116 IonicContact OE1-NH1 2.76Å; E68-R116 PolarHBondContact OE1-NH1 3.13Å; E68-R116 IonicContact OE1-NH2 3.63Å; E68-R116 PolarHBondContact OE1-NH2 2.88Å; E68-R116 IonicContact OE2-CZ 3.46Å; E68-R116 IonicContact OE2-NH1 3.54Å; E68-R116 IonicContact OE2-NH2 3.95Å; E68-R116 PolarHBondContact OE2-NH2 2.87Å
69	I	95.1	Very high	92.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-72.9	-39.2	176.7	-57.8	-54.8	0	0	0	111.4	I57 M60 A64 T65 H67 L71 L72 M82 L84 A91	I57-I69 HydrophobicContact CD1-CG2 3.76Å; M60-I69 HydrophobicContact CG-CD1 3.79Å; M60-I69 HydrophobicContact CG-CG1 4.48Å; M60-I69 HydrophobicContact SD-CD1 3.66Å; M60-I69 HydrophobicContact SD-CG1 3.73Å; A64-I69 HydrophobicContact CB-CD1 4.16Å; A64-I69 HydrophobicContact CB-CG1 4.36Å; T65-I69 PolarHBondContact O-N 3.05Å; H67-I69 VanDerWaalsContact C-N 3.3Å; H67-I69 PolarHBondContact O-N 2.86Å; I69-L71 PolarHBondContact O-N 3.46Å; I69-L72 HydrophobicContact CD1-CD1 4.24Å; I69-L72 WeakPolarHBondContact O-CB 3.41Å; I69-L72 PolarHBondContact O-N 2.89Å; I69-M82 HydrophobicContact CB-SD 4.03Å; I69-M82 HydrophobicContact CG2-SD 3.76Å; I69-L84 HydrophobicContact CB-CD2 4.45Å; I69-L84 HydrophobicContact CG1-CD2 3.97Å; I69-A91 HydrophobicContact CG2-CB 3.97Å
70	A	94.6	Very high	92.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-46.1	174.8	0	0	0	0	0	111.6	E66 H67 L72 G73 L79 M82 A146	E66-A70 WeakPolarHBondContact O-CB 3.43Å; E66-A70 PolarHBondContact O-N 3.42Å; H67-A70 PolarHBondContact O-N 2.86Å; A70-L72 PolarHBondContact O-N 2.96Å; A70-G73 PolarHBondContact O-N 2.85Å; A70-L79 HydrophobicContact CB-CD1 3.64Å; A70-M82 HydrophobicContact CB-CE 4.26Å; A70-M82 HydrophobicContact CB-SD 4.36Å; A70-A146 HydrophobicContact CB-CB 3.67Å
71	L	93.6	Very high	92.5	Very high	33 Å²	33	31.5 Å²	31.5	17%	0.173	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.4	179.2	-71.9	176.8	0	0	0	114.7	H67 I69 P75 I149 L222	H67-L71 WeakPolarHBondContact O-CG 3.33Å; H67-L71 PolarHBondContact O-N 3.25Å; I69-L71 PolarHBondContact O-N 3.46Å; L71-P75 WeakPolarHBondContact O-CD 3.36Å; L71-I149 HydrophobicContact CD2-CD1 3.54Å; L71-L222 HydrophobicContact CD2-CD2 4.32Å
72	L	94.9	Very high	92.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.8	176.1	-60.1	174.2	0	0	0	113.2	I57 I69 A70 F76 M104 Y108 V113 L120 M122	I57-L72 HydrophobicContact CD1-CD1 4.43Å; I69-L72 HydrophobicContact CD1-CD1 4.24Å; I69-L72 WeakPolarHBondContact O-CB 3.41Å; I69-L72 PolarHBondContact O-N 2.89Å; A70-L72 PolarHBondContact O-N 2.96Å; L72-F76 WeakPolarHBondContact O-CE2 3.33Å; L72-M104 HydrophobicContact CB-CE 4.09Å; L72-Y108 HydrophobicContact CB-CE2 4.41Å; L72-Y108 WeakPolarHBondContact O-CE2 3.21Å; L72-Y108 PolarHBondContact O-OH 2.92Å; L72-Y108 VanDerWaalsContact O-OH 3.1Å; L72-V113 HydrophobicContact CD2-CG2 3.96Å; L72-L120 HydrophobicContact CD1-CD1 3.69Å; L72-M122 HydrophobicContact CD1-CE 3.96Å
73	G	94	Very high	92.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-29.3	-179.5	0	0	0	0	0	114.2	A70 P75 F76 G77 M95	A70-G73 PolarHBondContact O-N 2.85Å; G73-P75 VanDerWaalsContact C-CD 3.42Å; G73-P75 VanDerWaalsContact C-N 3.33Å; G73-P75 VanDerWaalsContact O-N 3.15Å; G73-F76 WeakPolarHBondContact O-CD2 3.19Å; G73-F76 PolarHBondContact O-N 2.84Å; G73-G77 PolarHBondContact O-N 2.91Å; G73-M95 WeakPolarHBondContact O-CE 3.4Å
74	I	92.9	Very high	93.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-39.3	-176	-66.6	-46.6	0	0	0	115.2	F76 L79 A146 N147 V150 F218 L222	I74-F76 PolarHBondContact O-N 3.44Å; I74-F76 VanDerWaalsContact O-N 3.16Å; I74-L79 HydrophobicContact CD1-CD1 4.04Å; I74-L79 HydrophobicContact CD1-CG 3.9Å; I74-A146 HydrophobicContact CD1-CB 3.65Å; I74-A146 WeakPolarHBondContact CD1-O 3.43Å; I74-A146 HydrophobicContact CG1-CB 3.6Å; I74-A146 WeakPolarHBondContact CG1-O 3.43Å; I74-N147 WeakPolarHBondContact CD1-OD1 3.47Å; I74-V150 HydrophobicContact CB-CG2 4.42Å; I74-V150 HydrophobicContact CD1-CG2 4.29Å; I74-V150 HydrophobicContact CG2-CG2 3.53Å; I74-F218 HydrophobicContact CG2-CE1 4.08Å; I74-F218 HydrophobicContact CG2-CE2 4.5Å; I74-F218 HydrophobicContact CG2-CZ 3.66Å; I74-L222 HydrophobicContact CG2-CD1 4.48Å
75	P	91.4	Very high	93	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.052	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.6	177.8	-26.8	38.9	0	0	0	115.8	L71 G73 I215 F218 V219 L222	L71-P75 WeakPolarHBondContact O-CD 3.36Å; G73-P75 VanDerWaalsContact C-CD 3.42Å; G73-P75 VanDerWaalsContact C-N 3.33Å; G73-P75 VanDerWaalsContact O-N 3.15Å; P75-I215 HydrophobicContact CB-CG2 4.49Å; P75-F218 HydrophobicContact CB-CB 4.36Å; P75-F218 HydrophobicContact CB-CD1 3.97Å; P75-F218 HydrophobicContact CB-CG 4.26Å; P75-F218 HydrophobicContact CG-CD1 4.37Å; P75-F218 HydrophobicContact CG-CG 4.41Å; P75-V219 HydrophobicContact CB-CG2 3.59Å; P75-V219 HydrophobicContact CG-CG2 3.7Å; P75-L222 HydrophobicContact CG-CD1 3.72Å
76	F	93.1	Very high	92.7	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.044	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-19.9	-174.5	-48.9	-80.7	0	0	0	113	L72 G73 I74 M95 S100 M103 M104 Y107 Y108 I215 V219	L72-F76 WeakPolarHBondContact O-CE2 3.33Å; G73-F76 WeakPolarHBondContact O-CD2 3.19Å; G73-F76 PolarHBondContact O-N 2.84Å; I74-F76 PolarHBondContact O-N 3.44Å; I74-F76 VanDerWaalsContact O-N 3.16Å; F76-M95 HydrophobicContact CB-CE 4.39Å; F76-S100 WeakPolarHBondContact CB-O 3.34Å; F76-S100 WeakPolarHBondContact O-CB 3.34Å; F76-S100 PolarHBondContact O-OG 3.2Å; F76-M103 HydrophobicContact CD1-CB 3.93Å; F76-M103 WeakPolarHBondContact O-CE 3.41Å; F76-M104 HydrophobicContact CB-CB 4.11Å; F76-M104 HydrophobicContact CD1-CB 4.22Å; F76-M104 HydrophobicContact CD2-CB 3.64Å; F76-M104 HydrophobicContact CD2-CG 3.67Å; F76-M104 HydrophobicContact CE2-CB 4.17Å; F76-M104 HydrophobicContact CE2-CG 3.9Å; F76-M104 HydrophobicContact CG-CB 3.69Å; F76-M104 HydrophobicContact CG-CG 4.26Å; F76-Y107 AromaticContact CE1-CD1 3.94Å; F76-Y107 HydrophobicContact CE1-CD1 3.94Å; F76-Y107 HydrophobicContact CE1-CD2 4.43Å; F76-Y107 AromaticContact CE1-CG 3.7Å; F76-Y107 HydrophobicContact CE1-CG 3.7Å; F76-Y107 AromaticContact CZ-CD1 3.42Å; F76-Y107 HydrophobicContact CZ-CD1 3.42Å; F76-Y107 VanDerWaalsContact CZ-CD1 3.42Å; F76-Y107 HydrophobicContact CZ-CE1 4.1Å; F76-Y107 AromaticContact CZ-CG 3.71Å; F76-Y107 HydrophobicContact CZ-CG 3.71Å; F76-Y108 HydrophobicContact CE2-CD2 4.3Å; F76-Y108 AromaticContact CE2-CE2 3.57Å; F76-Y108 HydrophobicContact CE2-CE2 3.57Å; F76-Y108 HydrophobicContact CZ-CD2 4.45Å; F76-Y108 HydrophobicContact CZ-CE2 4.01Å; F76-I215 HydrophobicContact CD1-CD1 4.39Å; F76-I215 HydrophobicContact CD1-CG2 3.97Å; F76-I215 HydrophobicContact CE1-CG2 3.43Å; F76-I215 VanDerWaalsContact CE1-CG2 3.43Å; F76-I215 HydrophobicContact CZ-CG2 4.06Å; F76-V219 HydrophobicContact CZ-CG2 4.15Å
77	G	90.5	Very high	92.5	Very high	17 Å²	17	38.1 Å²	38.1	18%	0.175	19%	0.192	C	C	.	.	S	Bend	trans	163	179.8	179.1	0	0	0	0	0	113	G73 M95	G73-G77 PolarHBondContact O-N 2.91Å; G77-M95 WeakPolarHBondContact O-CE 3.13Å
78	L	92.7	Very high	92.4	Very high	54 Å²	54	36.3 Å²	36.3	28%	0.283	19%	0.189	S	C	.	.			trans	-74	145.7	175.8	-62.2	175.2	0	0	0	111.3	Q96 N147 V150	L78-Q96 HydrophobicContact CB-CB 4.39Å; L78-Q96 WeakPolarHBondContact O-CB 3.41Å; L78-Q96 PolarHBondContact O-N 3.37Å; L78-N147 WeakPolarHBondContact CA-OD1 3.47Å; L78-N147 HydrophobicContact CD2-CB 3.86Å; L78-V150 HydrophobicContact CD2-CB 4.17Å; L78-V150 HydrophobicContact CD2-CG1 4.49Å; L78-V150 HydrophobicContact CD2-CG2 3.92Å
79	L	94.3	Very high	92.4	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	136.8	173.1	-55.9	-179.8	0	0	0	110.4	A70 I74 L93 M95 I143 N147	A70-L79 HydrophobicContact CB-CD1 3.64Å; I74-L79 HydrophobicContact CD1-CD1 4.04Å; I74-L79 HydrophobicContact CD1-CG 3.9Å; L79-L93 HydrophobicContact CD1-CD1 3.94Å; L79-L93 HydrophobicContact CD2-CD1 3.67Å; L79-L93 HydrophobicContact CD2-CD2 3.83Å; L79-L93 HydrophobicContact CD2-CG 3.73Å; L79-L93 HydrophobicContact CG-CD1 4.36Å; L79-M95 HydrophobicContact CD2-CE 4.07Å; L79-M95 HydrophobicContact CD2-SD 3.54Å; L79-M95 VanDerWaalsContact CD2-SD 3.54Å; L79-I143 HydrophobicContact CB-CG1 4.39Å; L79-I143 HydrophobicContact CB-CG2 4.04Å; L79-I143 HydrophobicContact CD1-CG1 4.27Å; L79-N147 PolarHBondContact N-OD1 3.43Å; L79-N147 PolarHBondContact O-ND2 3.33Å
80	E	93.7	Very high	92.4	Very high	83 Å²	83	38.6 Å²	38.6	39%	0.388	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-54.5	173.8	-168.5	163.3	-174.7	0	0	109.7	K53 E94	K53-E80 IonicContact NZ-OE2 3.84Å; K53-E80 PolarHBondContact NZ-OE2 3.49Å; E80-E94 HydrophobicContact CB-CB 4.49Å; E80-E94 HydrophobicContact CB-CG 4.14Å; E80-E94 PolarHBondContact N-O 2.86Å
81	N	94.5	Very high	92.5	Very high	40 Å²	40	38.7 Å²	38.7	21%	0.214	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	167.5	179	-65.1	-60.7	0	0	0	112.5	E94 L130 L132	N81-E94 HydrophobicContact CB-CB 4Å; N81-E94 WeakPolarHBondContact CB-OE2 3.4Å; N81-E94 PolarHBondContact N-O 2.79Å; N81-E94 PolarHBondContact ND2-OE2 2.83Å; N81-E94 PolarHBondContact O-N 2.81Å; N81-L130 HydrophobicContact CB-CB 4.14Å; N81-L130 HydrophobicContact CB-CD1 4.05Å; N81-L132 HydrophobicContact CB-CD1 4.28Å; N81-L132 VanDerWaalsContact OD1-CD1 3.29Å; N81-L132 WeakPolarHBondContact OD1-CD1 3.46Å
82	M	94.5	Very high	92.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	145.2	174.9	-172.3	179	50	0	0	111.2	E66 I69 A70 L84 L92 L93 I139 A142 I143	E66-M82 HydrophobicContact CB-CE 4.14Å; E66-M82 WeakPolarHBondContact O-CE 3.39Å; I69-M82 HydrophobicContact CB-SD 4.03Å; I69-M82 HydrophobicContact CG2-SD 3.76Å; A70-M82 HydrophobicContact CB-CE 4.26Å; A70-M82 HydrophobicContact CB-SD 4.36Å; M82-L84 HydrophobicContact CE-CD1 3.74Å; M82-L84 HydrophobicContact CG-CD1 3.76Å; M82-L84 HydrophobicContact SD-CD1 3.76Å; M82-L92 CarbonylContact C-O 3.56Å; M82-L92 WeakPolarHBondContact CA-O 3.38Å; M82-L92 WeakPolarHBondContact CG-O 3.46Å; M82-L93 HydrophobicContact CB-CD1 3.96Å; M82-L93 HydrophobicContact CG-CD1 3.68Å; M82-L93 HydrophobicContact SD-CD1 3.73Å; M82-I139 HydrophobicContact CB-CG2 4.02Å; M82-I139 HydrophobicContact CE-CG1 4.44Å; M82-I139 HydrophobicContact CE-CG2 3.93Å; M82-I139 WeakPolarHBondContact O-CG2 3.47Å; M82-A142 HydrophobicContact CE-CB 4.38Å; M82-I143 HydrophobicContact CB-CD1 3.91Å; M82-I143 HydrophobicContact CB-CG1 4.35Å; M82-I143 HydrophobicContact CE-CG1 4.35Å
83	V	93.5	Very high	92.7	Very high	56 Å²	56	38.7 Å²	38.7	34%	0.339	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.7	174.5	176	0	0	0	0	109.4	A91 L92 L130 L132	V83-A91 CarbonylContact O-C 3.52Å; V83-A91 VanDerWaalsContact O-CA 3.24Å; V83-A91 WeakPolarHBondContact O-CA 3.4Å; V83-L92 PolarHBondContact N-O 2.91Å; V83-L92 PolarHBondContact O-N 2.83Å; V83-L130 HydrophobicContact CG2-CD1 4.28Å; V83-L132 HydrophobicContact CG2-CD2 3.56Å
84	L	92.1	Very high	92.8	Very high	30 Å²	30	38.9 Å²	38.9	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136	177.3	-69.9	81.6	0	0	0	110.8	M60 E66 I69 M82 A91 I139	M60-L84 HydrophobicContact CE-CD2 4.37Å; M60-L84 HydrophobicContact SD-CD2 4.15Å; E66-L84 HydrophobicContact CG-CD1 4.13Å; E66-L84 HydrophobicContact CG-CD2 4.2Å; I69-L84 HydrophobicContact CB-CD2 4.45Å; I69-L84 HydrophobicContact CG1-CD2 3.97Å; M82-L84 HydrophobicContact CE-CD1 3.74Å; M82-L84 HydrophobicContact CG-CD1 3.76Å; M82-L84 HydrophobicContact SD-CD1 3.76Å; L84-A91 HydrophobicContact CG-CB 4.07Å; L84-I139 HydrophobicContact CD1-CD1 4.04Å; L84-I139 HydrophobicContact CD1-CG1 4.26Å
85	S	90.1	Very high	92.9	Very high	42 Å²	42	38.8 Å²	38.8	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	86.5	169.9	-173.9	0	0	0	0	109.8	K87 A88 N89 Q90	S85-K87 PolarHBondContact O-N 3.36Å; S85-A88 CarbonylContact O-C 3.43Å; S85-A88 PolarHBondContact O-N 3.48Å; S85-A88 WeakPolarHBondContact OG-CB 3.23Å; S85-N89 PolarHBondContact O-N 3.37Å; S85-N89 VanDerWaalsContact O-N 3.1Å; S85-Q90 CarbonylContact C-O 3.56Å; S85-Q90 PolarHBondContact N-O 2.82Å; S85-Q90 PolarHBondContact O-N 3.26Å
86	K	85.9	Confident	93.1	Very high	79 Å²	79	43.1 Å²	43.1	34%	0.343	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.5	-33.9	179.4	-60.8	-175.1	-175.4	-173.4	0	112	M60 A64 E66 A88 N89	M60-K86 HydrophobicContact CE-CG 4.28Å; A64-K86 WeakPolarHBondContact O-CE 3.25Å; A64-K86 PolarHBondContact O-NZ 3.35Å; E66-K86 WeakPolarHBondContact OE1-CE 3.49Å; E66-K86 IonicContact OE1-NZ 2.8Å; E66-K86 PolarHBondContact OE1-NZ 3.16Å; E66-K86 IonicContact OE2-NZ 2.68Å; K86-A88 VanDerWaalsContact C-N 3.32Å; K86-A88 PolarHBondContact O-N 3.16Å; K86-N89 PolarHBondContact O-N 2.86Å; K86-N89 PolarHBondContact O-OD1 3.36Å
87	K	86.4	Confident	93	Very high	212 Å²	212	45.8 Å²	45.8	92%	0.922	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-66	-29.2	173.4	-68.7	-173.1	178.7	-178	0	114	S85	S85-K87 PolarHBondContact O-N 3.36Å
88	A	90.5	Very high	93.1	Very high	35 Å²	35	48.4 Å²	48.4	29%	0.289	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-98.9	0.6	-178.8	0	0	0	0	0	113.3	S85 K86 Q90	S85-A88 CarbonylContact O-C 3.43Å; S85-A88 PolarHBondContact O-N 3.48Å; S85-A88 WeakPolarHBondContact OG-CB 3.23Å; K86-A88 VanDerWaalsContact C-N 3.32Å; K86-A88 PolarHBondContact O-N 3.16Å; A88-Q90 HydrophobicContact CB-CB 4.35Å; A88-Q90 WeakPolarHBondContact O-CG 3.3Å; A88-Q90 PolarHBondContact O-N 3.41Å; A88-Q90 PolarHBondContact O-NE2 3.31Å
89	N	93.4	Very high	93.1	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.6	-174.3	-68.5	-21.9	0	0	0	112.5	N59 M60 S85 K86	N59-N89 PolarHBondContact N-O 3.46Å; M60-N89 PolarHBondContact N-O 2.77Å; M60-N89 VanDerWaalsContact O-CA 3.27Å; M60-N89 WeakPolarHBondContact O-CA 3.44Å; M60-N89 WeakPolarHBondContact O-CB 3.49Å; M60-N89 PolarHBondContact O-OD1 2.94Å; S85-N89 PolarHBondContact O-N 3.37Å; S85-N89 VanDerWaalsContact O-N 3.1Å; K86-N89 PolarHBondContact O-N 2.86Å; K86-N89 PolarHBondContact O-OD1 3.36Å
90	Q	94.7	Very high	93.1	Very high	46 Å²	46	51.8 Å²	51.8	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.2	-172.3	-75.2	169.7	42.9	0	0	112.7	H56 I57 R58 S85 A88	H56-Q90 PolarHBondContact CE1-OE1 3.27Å; H56-Q90 PolarHBondContact NE2-OE1 2.94Å; I57-Q90 CarbonylContact O-C 3.56Å; I57-Q90 VanDerWaalsContact O-CA 3.24Å; I57-Q90 WeakPolarHBondContact O-CA 3.44Å; R58-Q90 HydrophobicContact CG-CG 4.37Å; S85-Q90 CarbonylContact C-O 3.56Å; S85-Q90 PolarHBondContact N-O 2.82Å; S85-Q90 PolarHBondContact O-N 3.26Å; A88-Q90 HydrophobicContact CB-CB 4.35Å; A88-Q90 WeakPolarHBondContact O-CG 3.3Å; A88-Q90 PolarHBondContact O-N 3.41Å; A88-Q90 PolarHBondContact O-NE2 3.31Å
91	A	95.6	Very high	93.2	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.017	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.2	166.7	0	0	0	0	0	111.2	H56 I57 M60 I69 V83 L84	H56-A91 PolarHBondContact CD2-O 2.83Å; I57-A91 HydrophobicContact CB-CB 4.22Å; I57-A91 PolarHBondContact N-O 3.47Å; I57-A91 PolarHBondContact O-N 2.91Å; M60-A91 HydrophobicContact SD-CB 3.93Å; I69-A91 HydrophobicContact CG2-CB 3.97Å; V83-A91 CarbonylContact O-C 3.52Å; V83-A91 VanDerWaalsContact O-CA 3.24Å; V83-A91 WeakPolarHBondContact O-CA 3.4Å; L84-A91 HydrophobicContact CG-CB 4.07Å
92	L	96.6	Very high	93.2	Very high	35 Å²	35	48 Å²	48	18%	0.183	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.1	167.8	-65.7	167	0	0	0	107.9	V54 V55 H56 M82 V83 L130	V54-L92 HydrophobicContact CG1-CB 4.11Å; V54-L92 HydrophobicContact CG1-CD2 4.1Å; V55-L92 WeakPolarHBondContact O-CA 3.45Å; H56-L92 HydrophobicContact CB-CD2 3.93Å; M82-L92 CarbonylContact C-O 3.56Å; M82-L92 WeakPolarHBondContact CA-O 3.38Å; M82-L92 WeakPolarHBondContact CG-O 3.46Å; V83-L92 PolarHBondContact N-O 2.91Å; V83-L92 PolarHBondContact O-N 2.83Å; L92-L130 HydrophobicContact CB-CD1 4.15Å; L92-L130 HydrophobicContact CB-CD2 3.89Å; L92-L130 HydrophobicContact CD1-CD2 3.88Å; L92-L130 HydrophobicContact CG-CD2 4.47Å
93	L	96.4	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.2	-176.6	-170.3	70.5	0	0	0	108.7	V54 V55 I57 L79 M82 M95 M104	V54-L93 CarbonylContact C-O 3.57Å; V54-L93 WeakPolarHBondContact CA-O 3.24Å; V55-L93 PolarHBondContact N-O 3.05Å; V55-L93 PolarHBondContact O-N 3.46Å; I57-L93 HydrophobicContact CD1-CB 4.33Å; I57-L93 HydrophobicContact CD1-CD2 4.44Å; L79-L93 HydrophobicContact CD1-CD1 3.94Å; L79-L93 HydrophobicContact CD2-CD1 3.67Å; L79-L93 HydrophobicContact CD2-CD2 3.83Å; L79-L93 HydrophobicContact CD2-CG 3.73Å; L79-L93 HydrophobicContact CG-CD1 4.36Å; M82-L93 HydrophobicContact CB-CD1 3.96Å; M82-L93 HydrophobicContact CG-CD1 3.68Å; M82-L93 HydrophobicContact SD-CD1 3.73Å; L93-M95 HydrophobicContact CD2-SD 4.14Å; L93-M95 HydrophobicContact CG-SD 4.35Å; L93-M104 HydrophobicContact CD2-CE 3.72Å; L93-M104 HydrophobicContact CD2-SD 3.97Å
94	E	96.9	Very high	93.3	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.7	178.3	-172.5	172.8	-170.9	0	0	110	K53 V54 E80 N81 H129 L130	K53-E94 HydrophobicContact CB-CG 4.43Å; V54-E94 HydrophobicContact CG2-CB 4.08Å; V54-E94 HydrophobicContact CG2-CG 3.92Å; E80-E94 HydrophobicContact CB-CB 4.49Å; E80-E94 HydrophobicContact CB-CG 4.14Å; E80-E94 PolarHBondContact N-O 2.86Å; N81-E94 HydrophobicContact CB-CB 4Å; N81-E94 WeakPolarHBondContact CB-OE2 3.4Å; N81-E94 PolarHBondContact N-O 2.79Å; N81-E94 PolarHBondContact ND2-OE2 2.83Å; N81-E94 PolarHBondContact O-N 2.81Å; E94-H129 VanDerWaalsContact OE1-CA 3.3Å; E94-H129 WeakPolarHBondContact OE1-CA 3.2Å; E94-H129 IonicContact OE1-CE1 2.96Å; E94-H129 IonicContact OE1-CG 3.46Å; E94-H129 IonicContact OE1-ND1 2.89Å; E94-H129 PolarHBondContact OE1-ND1 2.95Å; E94-L130 HydrophobicContact CB-CD1 3.84Å; E94-L130 HydrophobicContact CB-CG 4.08Å; E94-L130 WeakPolarHBondContact OE2-CB 3.29Å; E94-L130 PolarHBondContact OE2-N 3.49Å
95	M	95.5	Very high	93.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	140.2	173.9	-55.1	-56.2	-63.2	0	0	109.8	K53 G73 F76 G77 L79 L93 C97 A101 M104	K53-M95 WeakPolarHBondContact CD-O 3.2Å; K53-M95 PolarHBondContact O-N 3.37Å; G73-M95 WeakPolarHBondContact O-CE 3.4Å; F76-M95 HydrophobicContact CB-CE 4.39Å; G77-M95 WeakPolarHBondContact O-CE 3.13Å; L79-M95 HydrophobicContact CD2-CE 4.07Å; L79-M95 HydrophobicContact CD2-SD 3.54Å; L79-M95 VanDerWaalsContact CD2-SD 3.54Å; L93-M95 HydrophobicContact CD2-SD 4.14Å; L93-M95 HydrophobicContact CG-SD 4.35Å; M95-C97 PolarHBondContact O-N 3.19Å; M95-C97 VanDerWaalsContact O-N 3.15Å; M95-A101 HydrophobicContact CB-CB 4.15Å; M95-A101 HydrophobicContact CG-CB 3.81Å; M95-M104 HydrophobicContact SD-SD 4.18Å
96	Q	93.7	Very high	93.7	Very high	99 Å²	99	48.7 Å²	48.7	46%	0.463	25%	0.252	S	S	.	.	S	Bend	trans	-58.4	-31.5	178.2	-169.9	176.2	43.5	0	0	112.8	K53 L78	K53-Q96 WeakPolarHBondContact CE-O 3.17Å; K53-Q96 PolarHBondContact NZ-O 3.12Å; L78-Q96 HydrophobicContact CB-CB 4.39Å; L78-Q96 WeakPolarHBondContact O-CB 3.41Å; L78-Q96 PolarHBondContact O-N 3.37Å
97	C	91.1	Very high	94.1	Very high	65 Å²	65	45.8 Å²	45.8	44%	0.439	24%	0.239	S	C	.	.	S	Bend	trans	-120.6	141	179.4	-67.7	0	0	0	0	111.5	M95 E99 S100 A101	M95-C97 PolarHBondContact O-N 3.19Å; M95-C97 VanDerWaalsContact O-N 3.15Å; C97-E99 VanDerWaalsContact C-N 3.3Å; C97-E99 PolarHBondContact O-N 3.49Å; C97-S100 WeakPolarHBondContact O-CB 3.39Å; C97-S100 PolarHBondContact O-N 3.35Å; C97-A101 PolarHBondContact O-N 3.21Å
98	L	93.7	Very high	94.5	Very high	73 Å²	73	36.1 Å²	36.1	38%	0.382	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-40.8	175.7	176.9	61.4	0	0	0	111.6	P51 K53 S100 A101 I102	P51-L98 HydrophobicContact CB-CD1 4.05Å; K53-L98 HydrophobicContact CG-CB 4.27Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.4Å; L98-A101 WeakPolarHBondContact O-CB 3.36Å; L98-A101 PolarHBondContact O-N 3Å; L98-I102 HydrophobicContact CD1-CD1 4.35Å; L98-I102 HydrophobicContact CD1-CG1 4.44Å; L98-I102 HydrophobicContact CG-CD1 3.95Å; L98-I102 HydrophobicContact CG-CG1 4.46Å; L98-I102 WeakPolarHBondContact O-CG1 3.5Å; L98-I102 PolarHBondContact O-N 2.7Å
99	E	92.6	Very high	94.6	Very high	117 Å²	117	42.6 Å²	42.6	55%	0.547	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-39.7	178.8	-162.4	58.5	-144.9	0	0	112.1	C97 A101 I102 M103	C97-E99 VanDerWaalsContact C-N 3.3Å; C97-E99 PolarHBondContact O-N 3.49Å; E99-A101 VanDerWaalsContact C-N 3.33Å; E99-A101 PolarHBondContact O-N 3.12Å; E99-I102 PolarHBondContact O-N 3.14Å; E99-M103 WeakPolarHBondContact O-CG 3.5Å; E99-M103 PolarHBondContact O-N 2.96Å
100	S	94	Very high	94.5	Very high	14 Å²	14	46.5 Å²	46.5	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-39.7	174.6	-61.7	0	0	0	0	112.5	F76 C97 L98 M104	F76-S100 WeakPolarHBondContact CB-O 3.34Å; F76-S100 WeakPolarHBondContact O-CB 3.34Å; F76-S100 PolarHBondContact O-OG 3.2Å; C97-S100 WeakPolarHBondContact O-CB 3.39Å; C97-S100 PolarHBondContact O-N 3.35Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.4Å; S100-M104 VanDerWaalsContact O-CB 3.3Å; S100-M104 WeakPolarHBondContact O-CB 3.48Å; S100-M104 PolarHBondContact O-N 2.9Å
101	A	96	Very high	94.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-38.2	175	0	0	0	0	0	112.2	S52 V55 M95 C97 L98 E99 M104 V105	S52-A101 WeakPolarHBondContact O-CB 3.44Å; V55-A101 HydrophobicContact CG2-CB 3.84Å; M95-A101 HydrophobicContact CB-CB 4.15Å; M95-A101 HydrophobicContact CG-CB 3.81Å; C97-A101 PolarHBondContact O-N 3.21Å; L98-A101 WeakPolarHBondContact O-CB 3.36Å; L98-A101 PolarHBondContact O-N 3Å; E99-A101 VanDerWaalsContact C-N 3.33Å; E99-A101 PolarHBondContact O-N 3.12Å; A101-M104 PolarHBondContact O-N 3.41Å; A101-V105 WeakPolarHBondContact O-CG2 3.48Å; A101-V105 PolarHBondContact O-N 3.11Å
102	I	94.7	Very high	94.2	Very high	43 Å²	43	50.8 Å²	50.8	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-47.6	175.4	-67.8	169.6	0	0	0	110.8	P51 L98 E99 S106 Y124	P51-I102 HydrophobicContact CB-CD1 4.01Å; P51-I102 HydrophobicContact CB-CG1 3.96Å; P51-I102 HydrophobicContact CG-CD1 4.49Å; L98-I102 HydrophobicContact CD1-CD1 4.35Å; L98-I102 HydrophobicContact CD1-CG1 4.44Å; L98-I102 HydrophobicContact CG-CD1 3.95Å; L98-I102 HydrophobicContact CG-CG1 4.46Å; L98-I102 WeakPolarHBondContact O-CG1 3.5Å; L98-I102 PolarHBondContact O-N 2.7Å; E99-I102 PolarHBondContact O-N 3.14Å; I102-S106 VanDerWaalsContact O-CB 3.25Å; I102-S106 WeakPolarHBondContact O-CB 3.36Å; I102-S106 PolarHBondContact O-N 3.38Å; I102-S106 PolarHBondContact O-OG 3.5Å; I102-Y124 WeakPolarHBondContact CA-OH 3.21Å; I102-Y124 HydrophobicContact CG1-CE1 4.24Å
103	M	93.5	Very high	93.9	Very high	67 Å²	67	49.5 Å²	49.5	33%	0.33	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-45	175.3	-70.2	-170.3	-67.3	0	0	111.6	F76 E99 S106 Y107 I215	F76-M103 HydrophobicContact CD1-CB 3.93Å; F76-M103 WeakPolarHBondContact O-CE 3.41Å; E99-M103 WeakPolarHBondContact O-CG 3.5Å; E99-M103 PolarHBondContact O-N 2.96Å; M103-S106 PolarHBondContact O-N 2.78Å; M103-Y107 VanDerWaalsContact O-CB 3.26Å; M103-Y107 WeakPolarHBondContact O-CB 3.41Å; M103-Y107 PolarHBondContact O-N 3.5Å; M103-I215 HydrophobicContact SD-CD1 4.08Å
104	M	95.5	Very high	93.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-50.1	179.2	-176.6	-174.3	-179.5	0	0	112.3	V55 I57 L72 F76 L93 M95 S100 A101 Y108	V55-M104 HydrophobicContact CB-SD 4.27Å; V55-M104 HydrophobicContact CG1-CE 4.43Å; V55-M104 HydrophobicContact CG1-SD 4.22Å; V55-M104 HydrophobicContact CG2-SD 3.98Å; I57-M104 HydrophobicContact CD1-CE 4.44Å; L72-M104 HydrophobicContact CB-CE 4.09Å; F76-M104 HydrophobicContact CB-CB 4.11Å; F76-M104 HydrophobicContact CD1-CB 4.22Å; F76-M104 HydrophobicContact CD2-CB 3.64Å; F76-M104 HydrophobicContact CD2-CG 3.67Å; F76-M104 HydrophobicContact CE2-CB 4.17Å; F76-M104 HydrophobicContact CE2-CG 3.9Å; F76-M104 HydrophobicContact CG-CB 3.69Å; F76-M104 HydrophobicContact CG-CG 4.26Å; L93-M104 HydrophobicContact CD2-CE 3.72Å; L93-M104 HydrophobicContact CD2-SD 3.97Å; M95-M104 HydrophobicContact SD-SD 4.18Å; S100-M104 VanDerWaalsContact O-CB 3.3Å; S100-M104 WeakPolarHBondContact O-CB 3.48Å; S100-M104 PolarHBondContact O-N 2.9Å; A101-M104 PolarHBondContact O-N 3.41Å; M104-Y108 HydrophobicContact CE-CD2 4.16Å; M104-Y108 HydrophobicContact CE-CE2 3.85Å; M104-Y108 HydrophobicContact CG-CD2 3.76Å; M104-Y108 HydrophobicContact CG-CE2 3.85Å; M104-Y108 VanDerWaalsContact O-CD2 3.31Å; M104-Y108 WeakPolarHBondContact O-CD2 3.33Å; M104-Y108 PolarHBondContact O-N 3.21Å
105	V	96	Very high	93.2	Very high	14 Å²	14	52 Å²	52	9%	0.085	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-40.2	-179.5	172.2	0	0	0	0	111	V55 A101 R109 Y124	V55-V105 HydrophobicContact CB-CG2 4.48Å; V55-V105 HydrophobicContact CG1-CG2 3.84Å; V55-V105 HydrophobicContact CG2-CG2 3.9Å; A101-V105 WeakPolarHBondContact O-CG2 3.48Å; A101-V105 PolarHBondContact O-N 3.11Å; V105-R109 WeakPolarHBondContact O-CB 3.49Å; V105-R109 PolarHBondContact O-N 3.3Å; V105-R109 VanDerWaalsContact O-N 3.15Å; V105-Y124 HydrophobicContact CB-CD1 4.5Å; V105-Y124 HydrophobicContact CB-CE1 3.85Å; V105-Y124 HydrophobicContact CG1-CE1 4.23Å; V105-Y124 HydrophobicContact CG1-CE2 4.17Å; V105-Y124 HydrophobicContact CG2-CD1 3.93Å; V105-Y124 HydrophobicContact CG2-CE1 3.7Å
106	S	94.5	Very high	92.6	Very high	64 Å²	64	55.5 Å²	55.5	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-45.8	178.5	-56.5	0	0	0	0	111.8	I102 M103 R109	I102-S106 VanDerWaalsContact O-CB 3.25Å; I102-S106 WeakPolarHBondContact O-CB 3.36Å; I102-S106 PolarHBondContact O-N 3.38Å; I102-S106 PolarHBondContact O-OG 3.5Å; M103-S106 PolarHBondContact O-N 2.78Å; S106-R109 WeakPolarHBondContact O-CB 3.48Å; S106-R109 PolarHBondContact O-N 2.93Å
107	Y	95.4	Very high	92.2	Very high	18 Å²	18	52.9 Å²	52.9	7%	0.071	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-50.3	178.1	173	-88.2	0	0	0	112.2	F76 M103 R109 E110 Y111 Y190 I215 H216 V219	F76-Y107 AromaticContact CE1-CD1 3.94Å; F76-Y107 HydrophobicContact CE1-CD1 3.94Å; F76-Y107 HydrophobicContact CE1-CD2 4.43Å; F76-Y107 AromaticContact CE1-CG 3.7Å; F76-Y107 HydrophobicContact CE1-CG 3.7Å; F76-Y107 AromaticContact CZ-CD1 3.42Å; F76-Y107 HydrophobicContact CZ-CD1 3.42Å; F76-Y107 VanDerWaalsContact CZ-CD1 3.42Å; F76-Y107 HydrophobicContact CZ-CE1 4.1Å; F76-Y107 AromaticContact CZ-CG 3.71Å; F76-Y107 HydrophobicContact CZ-CG 3.71Å; M103-Y107 VanDerWaalsContact O-CB 3.26Å; M103-Y107 WeakPolarHBondContact O-CB 3.41Å; M103-Y107 PolarHBondContact O-N 3.5Å; Y107-R109 PolarHBondContact O-N 3.29Å; Y107-E110 PolarHBondContact O-N 3.5Å; Y107-Y111 AromaticContact CD2-CD2 3.74Å; Y107-Y111 HydrophobicContact CD2-CD2 3.74Å; Y107-Y111 HydrophobicContact CD2-CE2 4.43Å; Y107-Y111 AromaticContact CE2-CD2 3.49Å; Y107-Y111 HydrophobicContact CE2-CD2 3.49Å; Y107-Y111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-Y111 HydrophobicContact CE2-CE2 4.24Å; Y107-Y111 AromaticContact CE2-CG 3.99Å; Y107-Y111 HydrophobicContact CE2-CG 3.99Å; Y107-Y111 HydrophobicContact CG-CD2 4.42Å; Y107-Y111 PolarHBondContact O-N 3.09Å; Y107-Y190 WeakPolarHBondContact OH-CA 3.31Å; Y107-Y190 PolarHBondContact OH-O 2.85Å; Y107-I215 HydrophobicContact CD2-CG2 4.31Å; Y107-H216 AromaticContact CE2-CD2 3.57Å; Y107-V219 HydrophobicContact CE1-CB 4.43Å; Y107-V219 HydrophobicContact CE1-CG1 4.09Å; Y107-V219 HydrophobicContact CE1-CG2 3.92Å; Y107-V219 WeakPolarHBondContact OH-CG1 3.17Å
108	Y	95.3	Very high	92.1	Very high	10 Å²	10	54.2 Å²	54.2	4%	0.039	27%	0.265	C	S	.	.	H	α-helix	trans	-72.1	-12.3	-178.1	-74.8	-56.3	0	0	0	114	L72 F76 M104 Y111 V113 M122	L72-Y108 HydrophobicContact CB-CE2 4.41Å; L72-Y108 WeakPolarHBondContact O-CE2 3.21Å; L72-Y108 PolarHBondContact O-OH 2.92Å; L72-Y108 VanDerWaalsContact O-OH 3.1Å; F76-Y108 HydrophobicContact CE2-CD2 4.3Å; F76-Y108 AromaticContact CE2-CE2 3.57Å; F76-Y108 HydrophobicContact CE2-CE2 3.57Å; F76-Y108 HydrophobicContact CZ-CD2 4.45Å; F76-Y108 HydrophobicContact CZ-CE2 4.01Å; M104-Y108 HydrophobicContact CE-CD2 4.16Å; M104-Y108 HydrophobicContact CE-CE2 3.85Å; M104-Y108 HydrophobicContact CG-CD2 3.76Å; M104-Y108 HydrophobicContact CG-CE2 3.85Å; M104-Y108 VanDerWaalsContact O-CD2 3.31Å; M104-Y108 WeakPolarHBondContact O-CD2 3.33Å; M104-Y108 PolarHBondContact O-N 3.21Å; Y108-Y111 WeakPolarHBondContact CD1-O 3.28Å; Y108-V113 HydrophobicContact CD1-CB 3.79Å; Y108-V113 HydrophobicContact CD1-CG1 3.66Å; Y108-V113 HydrophobicContact CE1-CB 3.64Å; Y108-V113 HydrophobicContact CE1-CG1 3.73Å; Y108-V113 HydrophobicContact CE1-CG2 4.28Å; Y108-V113 HydrophobicContact CG-CG1 4.33Å; Y108-M122 HydrophobicContact CD2-CE 4.36Å; Y108-M122 HydrophobicContact CD2-CG 3.95Å; Y108-M122 HydrophobicContact CG-CG 4Å
109	R	92.4	Very high	92	Very high	171 Å²	171	53.7 Å²	53.7	65%	0.645	26%	0.263	S	S	*	.	H	α-helix	trans	-72	-34.2	168.1	-174.1	178.8	-176.6	169.6	2.1	112	V105 S106 Y107	V105-R109 WeakPolarHBondContact O-CB 3.49Å; V105-R109 PolarHBondContact O-N 3.3Å; V105-R109 VanDerWaalsContact O-N 3.15Å; S106-R109 WeakPolarHBondContact O-CB 3.48Å; S106-R109 PolarHBondContact O-N 2.93Å; Y107-R109 PolarHBondContact O-N 3.29Å
110	E	91	Very high	92	Very high	136 Å²	136	48.5 Å²	48.5	64%	0.636	24%	0.239	S	C	*	.	H	α-helix	trans	-86.1	-51.1	176.3	-169	180	151	0	0	111.2	Y107	Y107-E110 PolarHBondContact O-N 3.5Å
111	Y	92	Very high	92	Very high	30 Å²	30	48.9 Å²	48.9	12%	0.118	24%	0.241	C	C	.	.	S	Bend	trans	-104.3	79.8	-178	-58.6	-80.1	0	0	0	110.9	Y107 Y108 V113	Y107-Y111 AromaticContact CD2-CD2 3.74Å; Y107-Y111 HydrophobicContact CD2-CD2 3.74Å; Y107-Y111 HydrophobicContact CD2-CE2 4.43Å; Y107-Y111 AromaticContact CE2-CD2 3.49Å; Y107-Y111 HydrophobicContact CE2-CD2 3.49Å; Y107-Y111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-Y111 HydrophobicContact CE2-CE2 4.24Å; Y107-Y111 AromaticContact CE2-CG 3.99Å; Y107-Y111 HydrophobicContact CE2-CG 3.99Å; Y107-Y111 HydrophobicContact CG-CD2 4.42Å; Y107-Y111 PolarHBondContact O-N 3.09Å; Y108-Y111 WeakPolarHBondContact CD1-O 3.28Å; Y111-V113 PolarHBondContact O-N 2.93Å
112	Q	91	Very high	91.9	Very high	107 Å²	107	49.6 Å²	49.6	50%	0.5	24%	0.244	S	C	.	.			trans	-57.1	122.5	-178.1	-66.8	-177	4.6	0	0	112.5
113	V	91.1	Very high	91.9	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	24%	0.238	C	C	.	.			trans	-88.1	135.9	177.8	63.3	0	0	0	0	112	L72 Y108 Y111 N119 L120 M122	L72-V113 HydrophobicContact CD2-CG2 3.96Å; Y108-V113 HydrophobicContact CD1-CB 3.79Å; Y108-V113 HydrophobicContact CD1-CG1 3.66Å; Y108-V113 HydrophobicContact CE1-CB 3.64Å; Y108-V113 HydrophobicContact CE1-CG1 3.73Å; Y108-V113 HydrophobicContact CE1-CG2 4.28Å; Y108-V113 HydrophobicContact CG-CG1 4.33Å; Y111-V113 PolarHBondContact O-N 2.93Å; V113-N119 WeakPolarHBondContact O-CA 3.32Å; V113-L120 HydrophobicContact CG1-CB 3.98Å; V113-L120 HydrophobicContact CG1-CD1 4.14Å; V113-L120 HydrophobicContact CG1-CG 4.26Å; V113-L120 PolarHBondContact O-N 3.19Å; V113-M122 HydrophobicContact CG1-CE 3.6Å
114	T	89.5	Confident	92	Very high	39 Å²	39	47.1 Å²	47.1	24%	0.239	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.2	175.7	45.3	0	0	0	0	111.2	R118 N119	T114-R118 CarbonylContact C-O 3.52Å; T114-R118 VanDerWaalsContact CA-O 3.31Å; T114-R118 WeakPolarHBondContact CA-O 3.35Å; T114-N119 WeakPolarHBondContact CG2-OD1 3.49Å
115	L	88.1	Confident	91.9	Very high	17 Å²	17	47.5 Å²	47.5	9%	0.089	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.5	170.7	-152.2	127.9	0	0	0	108.8	P61 A64 E68 G117 R118 L120	P61-L115 HydrophobicContact CG-CB 4.39Å; P61-L115 HydrophobicContact CG-CD2 3.44Å; P61-L115 VanDerWaalsContact CG-CD2 3.44Å; A64-L115 HydrophobicContact CB-CD2 3.91Å; E68-L115 HydrophobicContact CB-CD1 4.29Å; L115-G117 VanDerWaalsContact C-N 3.28Å; L115-G117 PolarHBondContact O-N 3.33Å; L115-R118 PolarHBondContact N-O 3.4Å; L115-R118 PolarHBondContact O-N 2.94Å; L115-L120 HydrophobicContact CB-CD1 4.12Å; L115-L120 HydrophobicContact CB-CD2 4.27Å; L115-L120 HydrophobicContact CB-CG 4.29Å
116	R	84.5	Confident	91.6	Very high	73 Å²	73	55.2 Å²	55.2	28%	0.275	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	44	-166.2	-67.5	86.9	171.1	127	-23.8	114.4	P61 D63 E68 R118 N608	P61-R116 HydrophobicContact CG-CB 4.32Å; D63-R116 VanDerWaalsContact CG-NE 3.33Å; D63-R116 WeakPolarHBondContact OD1-CD 3.31Å; D63-R116 IonicContact OD1-NE 2.71Å; D63-R116 PolarHBondContact OD1-NE 3.44Å; D63-R116 IonicContact OD2-CZ 2.76Å; D63-R116 IonicContact OD2-NE 3.75Å; D63-R116 PolarHBondContact OD2-NE 2.99Å; D63-R116 IonicContact OD2-NH2 3.59Å; D63-R116 PolarHBondContact OD2-NH2 3.47Å; E68-R116 VanDerWaalsContact CD-NH2 3.32Å; E68-R116 IonicContact OE1-CZ 3.74Å; E68-R116 IonicContact OE1-NH1 2.76Å; E68-R116 PolarHBondContact OE1-NH1 3.13Å; E68-R116 IonicContact OE1-NH2 3.63Å; E68-R116 PolarHBondContact OE1-NH2 2.88Å; E68-R116 IonicContact OE2-CZ 3.46Å; E68-R116 IonicContact OE2-NH1 3.54Å; E68-R116 IonicContact OE2-NH2 3.95Å; E68-R116 PolarHBondContact OE2-NH2 2.87Å; R116-R118 PolarHBondContact O-N 3.49Å; R116-R118 VanDerWaalsContact O-N 3.1Å; R116-N608 WeakPolarHBondContact CA-ND2 3.42Å; R116-N608 VanDerWaalsContact CA-OD1 3.31Å; R116-N608 WeakPolarHBondContact CA-OD1 3.26Å; R116-N608 WeakPolarHBondContact CB-ND2 3.34Å; R116-N608 HydrophobicContact CG-CB 4.26Å
117	G	84	Confident	91.4	Very high	43 Å²	43	57 Å²	57	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-6.2	-177.9	0	0	0	0	0	115.4	L115	L115-G117 VanDerWaalsContact C-N 3.28Å; L115-G117 PolarHBondContact O-N 3.33Å
118	R	88.5	Confident	91.1	Very high	93 Å²	93	60.4 Å²	60.4	35%	0.351	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.9	171.7	-64.6	-170.3	-176.8	158.5	9.5	109.8	D62 T114 L115 R116 L120	D62-R118 IonicContact OD1-NH1 2.74Å; T114-R118 CarbonylContact C-O 3.52Å; T114-R118 VanDerWaalsContact CA-O 3.31Å; T114-R118 WeakPolarHBondContact CA-O 3.35Å; L115-R118 PolarHBondContact N-O 3.4Å; L115-R118 PolarHBondContact O-N 2.94Å; R116-R118 PolarHBondContact O-N 3.49Å; R116-R118 VanDerWaalsContact O-N 3.1Å; R118-L120 PolarHBondContact O-N 2.8Å
119	N	91.9	Very high	90.9	Very high	63 Å²	63	65.1 Å²	65.1	34%	0.337	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121	169	-65.2	-52.5	0	0	0	109	N59 V113 T114	N59-N119 PolarHBondContact ND2-O 2.95Å; V113-N119 WeakPolarHBondContact O-CA 3.32Å; T114-N119 WeakPolarHBondContact CG2-OD1 3.49Å
120	L	94	Very high	90.8	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-78.7	148.5	172.6	-51.2	-175	0	0	0	109.5	I57 R58 N59 M60 L72 V113 L115 R118 M122	I57-L120 HydrophobicContact CG2-CB 4.45Å; I57-L120 HydrophobicContact CG2-CD1 4.22Å; R58-L120 WeakPolarHBondContact O-CA 3.49Å; N59-L120 WeakPolarHBondContact O-CD2 3.39Å; M60-L120 HydrophobicContact CB-CD2 4.43Å; L72-L120 HydrophobicContact CD1-CD1 3.69Å; V113-L120 HydrophobicContact CG1-CB 3.98Å; V113-L120 HydrophobicContact CG1-CD1 4.14Å; V113-L120 HydrophobicContact CG1-CG 4.26Å; V113-L120 PolarHBondContact O-N 3.19Å; L115-L120 HydrophobicContact CB-CD1 4.12Å; L115-L120 HydrophobicContact CB-CD2 4.27Å; L115-L120 HydrophobicContact CB-CG 4.29Å; R118-L120 PolarHBondContact O-N 2.8Å; L120-M122 HydrophobicContact CB-CE 3.69Å; L120-M122 HydrophobicContact CB-SD 4.11Å; L120-M122 HydrophobicContact CD1-CE 3.92Å; L120-M122 HydrophobicContact CG-CE 4.46Å
121	V	93.6	Very high	90.3	Very high	23 Å²	23	59 Å²	59	14%	0.139	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118	177.8	-176.7	0	0	0	0	109.4	R58 Q123	R58-V121 HydrophobicContact CB-CB 4.38Å; R58-V121 PolarHBondContact N-O 2.96Å; R58-V121 PolarHBondContact O-N 3.32Å; V121-Q123 HydrophobicContact CG1-CG 4.39Å
122	M	94.1	Very high	89.9	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.069	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.5	-177.2	-46	-39.4	-164.7	0	0	110.3	V55 H56 I57 L72 Y108 V113 L120	V55-M122 HydrophobicContact CG1-CB 4.18Å; H56-M122 WeakPolarHBondContact O-CA 3.48Å; I57-M122 HydrophobicContact CB-SD 4.03Å; I57-M122 HydrophobicContact CD1-CE 4.42Å; I57-M122 HydrophobicContact CD1-SD 4.49Å; I57-M122 HydrophobicContact CG1-CE 4.28Å; I57-M122 HydrophobicContact CG1-SD 3.74Å; I57-M122 HydrophobicContact CG2-CE 4.07Å; I57-M122 HydrophobicContact CG2-SD 3.81Å; L72-M122 HydrophobicContact CD1-CE 3.96Å; Y108-M122 HydrophobicContact CD2-CE 4.36Å; Y108-M122 HydrophobicContact CD2-CG 3.95Å; Y108-M122 HydrophobicContact CG-CG 4Å; V113-M122 HydrophobicContact CG1-CE 3.6Å; L120-M122 HydrophobicContact CB-CE 3.69Å; L120-M122 HydrophobicContact CB-SD 4.11Å; L120-M122 HydrophobicContact CD1-CE 3.92Å; L120-M122 HydrophobicContact CG-CE 4.46Å
123	Q	94.2	Very high	88.7	Confident	18 Å²	18	63.7 Å²	63.7	8%	0.084	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162.8	178.3	-66.2	-171.5	-30.9	0	0	109.9	Y46 V55 H56 R58 V121	Y46-Q123 VanDerWaalsContact CD1-NE2 3.26Å; V55-Q123 CarbonylContact C-O 3.58Å; V55-Q123 WeakPolarHBondContact CA-O 3.43Å; H56-Q123 PolarHBondContact N-O 2.71Å; H56-Q123 PolarHBondContact O-N 2.96Å; R58-Q123 VanDerWaalsContact NH2-OE1 3.12Å; V121-Q123 HydrophobicContact CG1-CG 4.39Å
124	Y	95.6	Very high	87.6	Confident	40 Å²	40	67.9 Å²	67.9	16%	0.157	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141	169.5	-53.8	-65.3	0	0	0	110.4	T49 P51 I102 V105	T49-Y124 PolarHBondContact OG1-O 2.79Å; P51-Y124 HydrophobicContact CB-CE1 4.28Å; P51-Y124 HydrophobicContact CB-CE2 4.38Å; P51-Y124 HydrophobicContact CG-CE2 4.18Å; I102-Y124 WeakPolarHBondContact CA-OH 3.21Å; I102-Y124 HydrophobicContact CG1-CE1 4.24Å; V105-Y124 HydrophobicContact CB-CD1 4.5Å; V105-Y124 HydrophobicContact CB-CE1 3.85Å; V105-Y124 HydrophobicContact CG1-CE1 4.23Å; V105-Y124 HydrophobicContact CG1-CE2 4.17Å; V105-Y124 HydrophobicContact CG2-CD1 3.93Å; V105-Y124 HydrophobicContact CG2-CE1 3.7Å
125	S	93.3	Very high	86.6	Confident	8 Å²	8	75.5 Å²	75.5	6%	0.056	37%	0.371	C	S	.	.			trans	-76	155.9	168.7	-178	0	0	0	0	110.2	S52 V54 H127	S52-S125 WeakPolarHBondContact CB-O 3.42Å; V54-S125 WeakPolarHBondContact O-CB 3.49Å; V54-S125 PolarHBondContact O-N 2.97Å; S125-H127 PolarHBondContact O-N 3.02Å; S125-H127 PolarHBondContact OG-N 3.5Å; S125-H127 PolarHBondContact OG-ND1 3.06Å; S125-H127 VanDerWaalsContact OG-ND1 3.1Å
126	K	90.4	Very high	86.3	Confident	177 Å²	177	78.4 Å²	78.4	77%	0.77	39%	0.387	S	S	*	.	S	Bend	trans	-72.5	-19.7	168.9	-63.3	-177.5	179.4	-178.7	0	113	T49	T49-K126 HydrophobicContact CG2-CG 4.34Å
127	H	90.1	Very high	86.4	Confident	102 Å²	102	79 Å²	79	47%	0.472	40%	0.402	S	S	.	.			trans	-84.2	140.2	176.5	-49.8	91.6	0	0	0	109	S52 S125	S52-H127 PolarHBondContact OG-O 3.05Å; S125-H127 PolarHBondContact O-N 3.02Å; S125-H127 PolarHBondContact OG-N 3.5Å; S125-H127 PolarHBondContact OG-ND1 3.06Å; S125-H127 VanDerWaalsContact OG-ND1 3.1Å
128	Q	88.7	Confident	86.6	Confident	88 Å²	88	79.3 Å²	79.3	41%	0.411	40%	0.397	S	S	.	.	S	Bend	trans	-88.4	-22.9	174.5	-70.2	-65.7	-17.9	0	0	112.9	P51	P51-Q128 PolarHBondContact O-NE2 3.35Å
129	H	90.2	Very high	86.7	Confident	109 Å²	109	76 Å²	76	51%	0.505	39%	0.386	S	S	.	.	S	Bend	trans	-141	161.1	177	-66.8	-66.3	0	0	0	110.3	E94	E94-H129 VanDerWaalsContact OE1-CA 3.3Å; E94-H129 WeakPolarHBondContact OE1-CA 3.2Å; E94-H129 IonicContact OE1-CE1 2.96Å; E94-H129 IonicContact OE1-CG 3.46Å; E94-H129 IonicContact OE1-ND1 2.89Å; E94-H129 PolarHBondContact OE1-ND1 2.95Å
130	L	90.9	Very high	86.6	Confident	20 Å²	20	74.7 Å²	74.7	11%	0.105	39%	0.388	C	S	.	.			trans	-100	118.4	174.8	-66.2	178.3	0	0	0	112.2	V54 N81 V83 L92 E94 L132	V54-L130 HydrophobicContact CG1-CD1 4.37Å; V54-L130 HydrophobicContact CG1-CD2 3.69Å; V54-L130 HydrophobicContact CG1-CG 4.03Å; V54-L130 HydrophobicContact CG2-CD2 4.28Å; V54-L130 HydrophobicContact CG2-CG 4.02Å; N81-L130 HydrophobicContact CB-CB 4.14Å; N81-L130 HydrophobicContact CB-CD1 4.05Å; V83-L130 HydrophobicContact CG2-CD1 4.28Å; L92-L130 HydrophobicContact CB-CD1 4.15Å; L92-L130 HydrophobicContact CB-CD2 3.89Å; L92-L130 HydrophobicContact CD1-CD2 3.88Å; L92-L130 HydrophobicContact CG-CD2 4.47Å; E94-L130 HydrophobicContact CB-CD1 3.84Å; E94-L130 HydrophobicContact CB-CG 4.08Å; E94-L130 WeakPolarHBondContact OE2-CB 3.29Å; E94-L130 PolarHBondContact OE2-N 3.49Å; L130-L132 PolarHBondContact O-N 2.92Å
131	E	81.2	Confident	86.4	Confident	160 Å²	160	78.1 Å²	78.1	75%	0.748	41%	0.406	S	S	*	.			trans	-80.7	112.6	170.2	-67.5	-178.7	-165.9	0	0	110.3	H133	E131-H133 IonicContact OE2-CE1 3.83Å
132	L	82.3	Confident	86.3	Confident	84 Å²	84	77.2 Å²	77.2	44%	0.44	40%	0.402	S	S	.	.			trans	-96.8	104.1	179.7	-60.4	-174.9	0	0	0	110.9	N81 V83 L130 S134	N81-L132 HydrophobicContact CB-CD1 4.28Å; N81-L132 VanDerWaalsContact OD1-CD1 3.29Å; N81-L132 WeakPolarHBondContact OD1-CD1 3.46Å; V83-L132 HydrophobicContact CG2-CD2 3.56Å; L130-L132 PolarHBondContact O-N 2.92Å; L132-S134 VanDerWaalsContact C-N 3.3Å; L132-S134 PolarHBondContact O-N 3.39Å
133	H	67.2	Low	86.3	Confident	151 Å²	151	77.5 Å²	77.5	70%	0.699	40%	0.403	S	S	*	.	S	Bend	trans	-81.8	-3.4	178.2	-56	-47.4	0	0	0	114.5	E131	E131-H133 IonicContact OE2-CE1 3.83Å
134	S	67.6	Low	86.1	Confident	96 Å²	96	82.4 Å²	82.4	67%	0.671	43%	0.426	S	S	*	.	S	Bend	trans	-159	129.1	175.5	60	0	0	0	0	110.5	L132 N136	L132-S134 VanDerWaalsContact C-N 3.3Å; L132-S134 PolarHBondContact O-N 3.39Å; S134-N136 PolarHBondContact O-N 3.5Å
135	E	68.7	Low	85.7	Confident	199 Å²	199	84.9 Å²	84.9	93%	0.93	44%	0.442	S	S	*	.			trans	-66.5	127.1	172	-66.6	-176.6	179.7	0	0	110.7
136	N	82.3	Confident	85.5	Confident	79 Å²	79	84.5 Å²	84.5	42%	0.422	44%	0.439	S	S	.	.			trans	-113	106.1	171.4	-176.8	-2.1	0	0	0	109.4	S134 S138 I139 G140	S134-N136 PolarHBondContact O-N 3.5Å; N136-S138 PolarHBondContact ND2-OG 2.94Å; N136-S138 PolarHBondContact O-N 3.41Å; N136-S138 VanDerWaalsContact O-N 3.16Å; N136-S138 PolarHBondContact OD1-N 3.05Å; N136-S138 PolarHBondContact OD1-OG 2.95Å; N136-S138 VanDerWaalsContact OD1-OG 3.06Å; N136-I139 HydrophobicContact CB-CB 4.26Å; N136-I139 HydrophobicContact CB-CD1 4.14Å; N136-I139 HydrophobicContact CB-CG1 4.25Å; N136-I139 WeakPolarHBondContact O-CB 3.01Å; N136-I139 PolarHBondContact O-N 2.93Å; N136-G140 PolarHBondContact O-N 3.43Å
137	S	86	Confident	85.5	Confident	84 Å²	84	77.4 Å²	77.4	59%	0.587	41%	0.41	S	S	*	.	H	α-helix	trans	-55.8	-32.7	-178.3	-178.2	0	0	0	0	113.1	I139 G140 N141	S137-I139 VanDerWaalsContact C-N 3.33Å; S137-I139 PolarHBondContact O-N 3.14Å; S137-G140 PolarHBondContact O-N 2.77Å; S137-N141 VanDerWaalsContact O-CB 3.28Å; S137-N141 WeakPolarHBondContact O-CB 3.27Å; S137-N141 PolarHBondContact O-N 2.6Å; S137-N141 PolarHBondContact O-ND2 2.87Å; S137-N141 PolarHBondContact OG-ND2 3.37Å
138	S	88.3	Confident	85.2	Confident	51 Å²	51	75.3 Å²	75.3	36%	0.357	41%	0.406	S	S	.	.	H	α-helix	trans	-67.3	-34.6	177.1	72	0	0	0	0	112.7	N136 A142	N136-S138 PolarHBondContact ND2-OG 2.94Å; N136-S138 PolarHBondContact O-N 3.41Å; N136-S138 VanDerWaalsContact O-N 3.16Å; N136-S138 PolarHBondContact OD1-N 3.05Å; N136-S138 PolarHBondContact OD1-OG 2.95Å; N136-S138 VanDerWaalsContact OD1-OG 3.06Å; S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 3.42Å
139	I	90.7	Very high	84.8	Confident	22 Å²	22	72.7 Å²	72.7	11%	0.113	40%	0.395	C	S	.	.	H	α-helix	trans	-72.6	-46.1	175.5	-69.5	178.6	0	0	0	110.4	E66 M82 L84 N136 S137 N141 A142 I143	E66-I139 HydrophobicContact CB-CG1 4.37Å; E66-I139 HydrophobicContact CG-CG1 3.77Å; M82-I139 HydrophobicContact CB-CG2 4.02Å; M82-I139 HydrophobicContact CE-CG1 4.44Å; M82-I139 HydrophobicContact CE-CG2 3.93Å; M82-I139 WeakPolarHBondContact O-CG2 3.47Å; L84-I139 HydrophobicContact CD1-CD1 4.04Å; L84-I139 HydrophobicContact CD1-CG1 4.26Å; N136-I139 HydrophobicContact CB-CB 4.26Å; N136-I139 HydrophobicContact CB-CD1 4.14Å; N136-I139 HydrophobicContact CB-CG1 4.25Å; N136-I139 WeakPolarHBondContact O-CB 3.01Å; N136-I139 PolarHBondContact O-N 2.93Å; S137-I139 VanDerWaalsContact C-N 3.33Å; S137-I139 PolarHBondContact O-N 3.14Å; I139-N141 PolarHBondContact O-N 3.18Å; I139-A142 WeakPolarHBondContact O-CB 3.39Å; I139-A142 PolarHBondContact O-N 3.26Å; I139-A142 VanDerWaalsContact O-N 3.17Å; I139-I143 HydrophobicContact CG2-CD1 3.81Å; I139-I143 HydrophobicContact CG2-CG1 4.46Å; I139-I143 WeakPolarHBondContact O-CG1 3.47Å; I139-I143 PolarHBondContact O-N 3.11Å
140	G	89.3	Confident	83.9	Confident	37 Å²	37	68.9 Å²	68.9	38%	0.381	38%	0.379	S	S	.	.	H	α-helix	trans	-58	-48.1	176.7	0	0	0	0	0	112.1	N136 S137 A142 I143 Q144	N136-G140 PolarHBondContact O-N 3.43Å; S137-G140 PolarHBondContact O-N 2.77Å; G140-A142 PolarHBondContact O-N 2.8Å; G140-I143 PolarHBondContact O-N 2.74Å; G140-Q144 WeakPolarHBondContact O-CB 3.22Å; G140-Q144 PolarHBondContact O-N 3.23Å
141	N	90.4	Very high	82.4	Confident	78 Å²	78	75 Å²	75	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-39.9	174.7	-69.8	-33.1	0	0	0	112.2	S137 I139 Q144 N145	S137-N141 VanDerWaalsContact O-CB 3.28Å; S137-N141 WeakPolarHBondContact O-CB 3.27Å; S137-N141 PolarHBondContact O-N 2.6Å; S137-N141 PolarHBondContact O-ND2 2.87Å; S137-N141 PolarHBondContact OG-ND2 3.37Å; I139-N141 PolarHBondContact O-N 3.18Å; N141-Q144 PolarHBondContact O-N 2.78Å; N141-N145 VanDerWaalsContact O-CB 3.28Å; N141-N145 WeakPolarHBondContact O-CB 3.32Å; N141-N145 PolarHBondContact O-N 2.78Å; N141-N145 PolarHBondContact O-ND2 3.36Å; N141-N145 VanDerWaalsContact O-ND2 3.09Å
142	A	91.7	Very high	81.1	Confident	5 Å²	5	75.1 Å²	75.1	4%	0.041	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-45.8	177	0	0	0	0	0	112	E66 H67 M82 S138 I139 G140 A146	E66-A142 HydrophobicContact CB-CB 3.78Å; H67-A142 HydrophobicContact CB-CB 4.4Å; M82-A142 HydrophobicContact CE-CB 4.38Å; S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 3.42Å; I139-A142 WeakPolarHBondContact O-CB 3.39Å; I139-A142 PolarHBondContact O-N 3.26Å; I139-A142 VanDerWaalsContact O-N 3.17Å; G140-A142 PolarHBondContact O-N 2.8Å; A142-A146 WeakPolarHBondContact O-CB 3.48Å; A142-A146 PolarHBondContact O-N 2.83Å
143	I	92.7	Very high	79.7	Confident	19 Å²	19	74.2 Å²	74.2	10%	0.097	40%	0.403	C	S	.	.	H	α-helix	trans	-61.3	-49.4	175.3	-73.1	168.6	0	0	0	110.7	L79 M82 I139 G140 A146 N147	L79-I143 HydrophobicContact CB-CG1 4.39Å; L79-I143 HydrophobicContact CB-CG2 4.04Å; L79-I143 HydrophobicContact CD1-CG1 4.27Å; M82-I143 HydrophobicContact CB-CD1 3.91Å; M82-I143 HydrophobicContact CB-CG1 4.35Å; M82-I143 HydrophobicContact CE-CG1 4.35Å; I139-I143 HydrophobicContact CG2-CD1 3.81Å; I139-I143 HydrophobicContact CG2-CG1 4.46Å; I139-I143 WeakPolarHBondContact O-CG1 3.47Å; I139-I143 PolarHBondContact O-N 3.11Å; G140-I143 PolarHBondContact O-N 2.74Å; I143-A146 PolarHBondContact O-N 3.46Å; I143-N147 WeakPolarHBondContact O-CB 3.42Å; I143-N147 PolarHBondContact O-N 2.99Å
144	Q	89.7	Confident	79.3	Confident	121 Å²	121	68.9 Å²	68.9	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-60.7	-49.7	-178.9	-173.7	174.9	9	0	0	111.5	G140 N141 A146 N147 C148	G140-Q144 WeakPolarHBondContact O-CB 3.22Å; G140-Q144 PolarHBondContact O-N 3.23Å; N141-Q144 PolarHBondContact O-N 2.78Å; Q144-A146 VanDerWaalsContact C-N 3.31Å; Q144-A146 PolarHBondContact O-N 3.15Å; Q144-N147 PolarHBondContact O-N 2.93Å; Q144-C148 PolarHBondContact O-N 3.4Å; Q144-C148 PolarHBondContact O-SG 2.82Å
145	N	88.6	Confident	78.2	Confident	92 Å²	92	66.1 Å²	66.1	49%	0.492	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-40.4	177.2	-71.2	-27.5	0	0	0	112	N141 C148	N141-N145 VanDerWaalsContact O-CB 3.28Å; N141-N145 WeakPolarHBondContact O-CB 3.32Å; N141-N145 PolarHBondContact O-N 2.78Å; N141-N145 PolarHBondContact O-ND2 3.36Å; N141-N145 VanDerWaalsContact O-ND2 3.09Å; N145-C148 PolarHBondContact O-N 2.55Å
146	A	88.8	Confident	77.2	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.7	-43.1	179.6	0	0	0	0	0	111.7	A70 I74 A142 I143 Q144 C148 I149	A70-A146 HydrophobicContact CB-CB 3.67Å; I74-A146 HydrophobicContact CD1-CB 3.65Å; I74-A146 WeakPolarHBondContact CD1-O 3.43Å; I74-A146 HydrophobicContact CG1-CB 3.6Å; I74-A146 WeakPolarHBondContact CG1-O 3.43Å; A142-A146 WeakPolarHBondContact O-CB 3.48Å; A142-A146 PolarHBondContact O-N 2.83Å; I143-A146 PolarHBondContact O-N 3.46Å; Q144-A146 VanDerWaalsContact C-N 3.31Å; Q144-A146 PolarHBondContact O-N 3.15Å; A146-C148 VanDerWaalsContact C-N 3.32Å; A146-C148 PolarHBondContact O-N 3.23Å; A146-I149 WeakPolarHBondContact O-CB 3.41Å; A146-I149 PolarHBondContact O-N 3.27Å
147	N	89.8	Confident	75.4	Confident	28 Å²	28	56.1 Å²	56.1	15%	0.15	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-33.5	175.7	-78.3	-14.2	0	0	0	112.5	I74 L78 L79 I143 Q144 I149 V150	I74-N147 WeakPolarHBondContact CD1-OD1 3.47Å; L78-N147 WeakPolarHBondContact CA-OD1 3.47Å; L78-N147 HydrophobicContact CD2-CB 3.86Å; L79-N147 PolarHBondContact N-OD1 3.43Å; L79-N147 PolarHBondContact O-ND2 3.33Å; I143-N147 WeakPolarHBondContact O-CB 3.42Å; I143-N147 PolarHBondContact O-N 2.99Å; Q144-N147 PolarHBondContact O-N 2.93Å; N147-I149 VanDerWaalsContact C-N 3.29Å; N147-I149 PolarHBondContact O-N 3.45Å; N147-V150 WeakPolarHBondContact O-CB 3.44Å; N147-V150 PolarHBondContact O-N 3.37Å
148	C	83.6	Confident	73.2	Confident	58 Å²	58	60.5 Å²	60.5	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-31.8	173.7	-72.7	0	0	0	0	113.3	Q144 N145 A146 V150 Q151 Q152	Q144-C148 PolarHBondContact O-N 3.4Å; Q144-C148 PolarHBondContact O-SG 2.82Å; N145-C148 PolarHBondContact O-N 2.55Å; A146-C148 VanDerWaalsContact C-N 3.32Å; A146-C148 PolarHBondContact O-N 3.23Å; C148-V150 VanDerWaalsContact C-N 3.31Å; C148-V150 PolarHBondContact O-N 3.28Å; C148-Q151 PolarHBondContact O-N 3.45Å; C148-Q151 VanDerWaalsContact O-N 3.11Å; C148-Q152 PolarHBondContact O-N 3.36Å
149	I	80.2	Confident	71.3	Confident	34 Å²	34	62 Å²	62	17%	0.174	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-36	179.4	-65	164.9	0	0	0	111.1	L71 A146 N147 Q151 Q152 D153 F218 L222	L71-I149 HydrophobicContact CD2-CD1 3.54Å; A146-I149 WeakPolarHBondContact O-CB 3.41Å; A146-I149 PolarHBondContact O-N 3.27Å; N147-I149 VanDerWaalsContact C-N 3.29Å; N147-I149 PolarHBondContact O-N 3.45Å; I149-Q151 PolarHBondContact O-N 2.96Å; I149-Q152 PolarHBondContact O-N 3.32Å; I149-D153 HydrophobicContact CG2-CB 4.42Å; I149-D153 PolarHBondContact O-N 3.44Å; I149-F218 HydrophobicContact CG2-CE2 4.18Å; I149-F218 HydrophobicContact CG2-CZ 4.27Å; I149-L222 HydrophobicContact CG2-CD2 4.12Å
150	V	71.2	Confident	69.4	Low	29 Å²	29	63.9 Å²	63.9	18%	0.176	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-40.9	173.5	-171.7	0	0	0	0	111.1	I74 L78 N147 C148 L154	I74-V150 HydrophobicContact CB-CG2 4.42Å; I74-V150 HydrophobicContact CD1-CG2 4.29Å; I74-V150 HydrophobicContact CG2-CG2 3.53Å; L78-V150 HydrophobicContact CD2-CB 4.17Å; L78-V150 HydrophobicContact CD2-CG1 4.49Å; L78-V150 HydrophobicContact CD2-CG2 3.92Å; N147-V150 WeakPolarHBondContact O-CB 3.44Å; N147-V150 PolarHBondContact O-N 3.37Å; C148-V150 VanDerWaalsContact C-N 3.31Å; C148-V150 PolarHBondContact O-N 3.28Å; V150-L154 HydrophobicContact CG1-CD1 4.13Å; V150-L154 WeakPolarHBondContact O-CD1 3.29Å
151	Q	60.1	Low	68.1	Low	149 Å²	149	69 Å²	69	70%	0.696	39%	0.392	S	S	*	.	H	α-helix	trans	-75.8	-29.5	-176.1	-60.4	-177.7	-3.8	0	0	112.6	C148 I149	C148-Q151 PolarHBondContact O-N 3.45Å; C148-Q151 VanDerWaalsContact O-N 3.11Å; I149-Q151 PolarHBondContact O-N 2.96Å
152	Q	54	Low	67.1	Low	162 Å²	162	67 Å²	67	76%	0.757	38%	0.383	S	S	*	.	H	α-helix	trans	-93.1	-42.6	-173.6	-169.1	168	12.7	0	0	113.5	C148 I149	C148-Q152 PolarHBondContact O-N 3.36Å; I149-Q152 PolarHBondContact O-N 3.32Å
153	D	53.7	Low	66.6	Low	65 Å²	65	67.5 Å²	67.5	35%	0.348	39%	0.385	S	S	.	.	H	α-helix	trans	-93.7	-15.4	-170.9	-79.4	-32.1	0	0	0	114.5	I149 S155 M221 F240	I149-D153 HydrophobicContact CG2-CB 4.42Å; I149-D153 PolarHBondContact O-N 3.44Å; D153-S155 PolarHBondContact O-N 3.21Å; D153-M221 HydrophobicContact CB-CE 4.01Å; D153-M221 HydrophobicContact CB-SD 4.43Å; D153-F240 HydrophobicContact CB-CD2 4.27Å; D153-F240 HydrophobicContact CB-CE2 4.2Å; D153-F240 WeakPolarHBondContact O-CD2 3.39Å; D153-F240 VanDerWaalsContact O-CE2 3.31Å; D153-F240 WeakPolarHBondContact O-CE2 3.48Å
154	L	56.9	Low	66.5	Low	39 Å²	39	68.4 Å²	68.4	20%	0.204	39%	0.392	C	S	.	.			trans	-71	72.2	166.6	-88.3	78.4	0	0	0	110.4	V150 G156 A157 P162 F218	V150-L154 HydrophobicContact CG1-CD1 4.13Å; V150-L154 WeakPolarHBondContact O-CD1 3.29Å; L154-G156 VanDerWaalsContact C-N 3.25Å; L154-G156 PolarHBondContact O-N 3.24Å; L154-A157 HydrophobicContact CB-CB 4.11Å; L154-A157 WeakPolarHBondContact O-CB 3.38Å; L154-A157 PolarHBondContact O-N 3.15Å; L154-P162 HydrophobicContact CD2-CB 4.28Å; L154-F218 HydrophobicContact CD1-CD1 3.87Å; L154-F218 HydrophobicContact CD1-CE1 3.39Å; L154-F218 HydrophobicContact CD1-CZ 3.83Å
155	S	46.2	Very low	66.7	Low	38 Å²	38	62.9 Å²	62.9	27%	0.266	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	88	172	77.4	0	0	0	0	109	D153 R244	D153-S155 PolarHBondContact O-N 3.21Å; S155-R244 PolarHBondContact O-NH1 3.35Å; S155-R244 VanDerWaalsContact O-NH1 3.16Å; S155-R244 PolarHBondContact O-NH2 3.12Å; S155-R244 PolarHBondContact OG-NH1 3.15Å; S155-R244 VanDerWaalsContact OG-NH1 3.17Å
156	G	47.9	Very low	66.9	Low	8 Å²	8	58.5 Å²	58.5	8%	0.082	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	148.2	-16.7	-163.8	0	0	0	0	0	114	L154 N158 S159 G160	L154-G156 VanDerWaalsContact C-N 3.25Å; L154-G156 PolarHBondContact O-N 3.24Å; G156-N158 VanDerWaalsContact C-N 3.29Å; G156-N158 PolarHBondContact O-N 3.47Å; G156-S159 CarbonylContact O-C 3.55Å; G156-S159 WeakPolarHBondContact O-CA 3.22Å; G156-S159 PolarHBondContact O-N 2.86Å; G156-S159 PolarHBondContact O-OG 3.38Å; G156-G160 PolarHBondContact O-N 2.96Å
157	A	42.6	Very low	67.1	Low	60 Å²	60	62.3 Å²	62.3	50%	0.496	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-56	-39.8	177.7	0	0	0	0	0	113	L154 S159	L154-A157 HydrophobicContact CB-CB 4.11Å; L154-A157 WeakPolarHBondContact O-CB 3.38Å; L154-A157 PolarHBondContact O-N 3.15Å; A157-S159 PolarHBondContact O-N 3.4Å
158	N	40.9	Very low	67.4	Low	176 Å²	176	61 Å²	61	94%	0.941	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-76	-5.5	176	-67.2	1.8	0	0	0	113.9	G156	G156-N158 VanDerWaalsContact C-N 3.29Å; G156-N158 PolarHBondContact O-N 3.47Å
159	S	48.1	Very low	67.9	Low	81 Å²	81	58.3 Å²	58.3	57%	0.566	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-127.7	17.4	-178.1	63.4	0	0	0	0	113.4	G156 A157 M161	G156-S159 CarbonylContact O-C 3.55Å; G156-S159 WeakPolarHBondContact O-CA 3.22Å; G156-S159 PolarHBondContact O-N 2.86Å; G156-S159 PolarHBondContact O-OG 3.38Å; A157-S159 PolarHBondContact O-N 3.4Å; S159-M161 PolarHBondContact O-N 3.18Å
160	G	51.5	Low	68.4	Low	63 Å²	63	56.8 Å²	56.8	65%	0.649	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	-10.9	170.5	0	0	0	0	0	117.6	G156	G156-G160 PolarHBondContact O-N 2.96Å
161	M	60.6	Low	69.2	Low	145 Å²	145	57.1 Å²	57.1	71%	0.714	33%	0.325	S	S	*	.			trans	-128.9	109.4	-177.7	-69.1	-62.9	-71.7	0	0	111.2	S159	S159-M161 PolarHBondContact O-N 3.18Å
162	P	70.5	Confident	70.3	Confident	36 Å²	36	53.6 Å²	53.6	23%	0.234	31%	0.311	C	S	.	.			trans	-69.4	142.1	172.6	30.1	-35.1	0	0	0	110.7	L154 H214	L154-P162 HydrophobicContact CD2-CB 4.28Å; P162-H214 HydrophobicContact CB-CB 3.81Å; P162-H214 HydrophobicContact CG-CB 3.64Å
163	T	81.8	Confident	71.6	Confident	15 Å²	15	47.5 Å²	47.5	9%	0.092	28%	0.283	C	S	.	.			trans	-76.1	136	-178.3	168	0	0	0	0	112.3	V165 F240	T163-V165 PolarHBondContact OG1-N 3.12Å; T163-V165 VanDerWaalsContact OG1-N 3.08Å; T163-V165 PolarHBondContact OG1-O 3.12Å; T163-F240 HydrophobicContact CG2-CB 3.79Å; T163-F240 HydrophobicContact CG2-CD1 3.61Å; T163-F240 HydrophobicContact CG2-CE1 4.46Å; T163-F240 HydrophobicContact CG2-CG 3.99Å; T163-F240 WeakPolarHBondContact O-CE1 3.32Å
164	T	90.4	Very high	72.8	Confident	38 Å²	38	48 Å²	48	23%	0.233	28%	0.284	C	S	.	.			trans	-85.9	-8.4	172.9	54.5	0	0	0	0	113.2	F211	T164-F211 WeakPolarHBondContact CB-O 3.31Å; T164-F211 PolarHBondContact O-N 3.13Å
165	V	92.5	Very high	73.8	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121	-172	-172.7	0	0	0	0	110.3	T163 L208 V209 E210 S241	T163-V165 PolarHBondContact OG1-N 3.12Å; T163-V165 VanDerWaalsContact OG1-N 3.08Å; T163-V165 PolarHBondContact OG1-O 3.12Å; V165-L208 HydrophobicContact CG1-CB 4.29Å; V165-L208 HydrophobicContact CG1-CD2 4.27Å; V165-V209 WeakPolarHBondContact CA-O 3.49Å; V165-E210 HydrophobicContact CG2-CB 4.1Å; V165-E210 HydrophobicContact CG2-CG 4.01Å; V165-S241 WeakPolarHBondContact O-CB 3.32Å; V165-S241 PolarHBondContact O-N 3.26Å
166	L	93.5	Very high	75.4	Confident	0 Å²	0	52 Å²	52	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.8	170.7	-60.4	-177.5	0	0	0	110.7	F187 L208 V209 F211 A217 A220 M221 V238 Q239 F240	L166-F187 HydrophobicContact CD1-CD1 4.33Å; L166-F187 HydrophobicContact CD1-CE1 4.01Å; L166-L208 WeakPolarHBondContact O-CA 3.33Å; L166-V209 PolarHBondContact N-O 3.35Å; L166-V209 PolarHBondContact O-N 3.33Å; L166-F211 HydrophobicContact CD1-CD2 4.38Å; L166-F211 HydrophobicContact CD1-CE2 3.75Å; L166-F211 HydrophobicContact CG-CE2 4.31Å; L166-A217 HydrophobicContact CD1-CB 4.42Å; L166-A217 WeakPolarHBondContact CD1-O 3.4Å; L166-A217 HydrophobicContact CD2-CB 3.97Å; L166-A217 HydrophobicContact CG-CB 4Å; L166-A220 HydrophobicContact CD1-CB 3.96Å; L166-M221 HydrophobicContact CD1-CB 4.41Å; L166-M221 HydrophobicContact CD2-CB 4.17Å; L166-V238 HydrophobicContact CB-CG1 4.17Å; L166-V238 HydrophobicContact CD1-CG1 3.66Å; L166-V238 HydrophobicContact CG-CG1 4.35Å; L166-Q239 CarbonylContact C-O 3.5Å; L166-Q239 WeakPolarHBondContact CA-O 3.36Å; L166-F240 HydrophobicContact CD2-CD1 3.56Å; L166-F240 HydrophobicContact CD2-CE1 3.8Å; L166-F240 HydrophobicContact CD2-CG 4.17Å
167	R	93.9	Very high	77	Confident	81 Å²	81	59.1 Å²	59.1	31%	0.306	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120	162.6	-179.1	175.6	177.3	-97.2	4.9	108.9	H206 G207 L208 Q239	R167-H206 PolarHBondContact NH2-CE1 2.89Å; R167-H206 PolarHBondContact NH2-ND1 3.49Å; R167-G207 WeakPolarHBondContact CA-O 3.31Å; R167-L208 HydrophobicContact CB-CD2 4.14Å; R167-L208 HydrophobicContact CG-CD2 4.42Å; R167-Q239 PolarHBondContact N-O 3.25Å; R167-Q239 PolarHBondContact O-N 2.96Å
168	V	94.9	Very high	79	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.9	175.4	-173.1	0	0	0	0	108.3	V170 F187 H206 G207 V209 L236 R237	V168-V170 HydrophobicContact CG1-CG2 4.27Å; V168-F187 HydrophobicContact CB-CZ 4.49Å; V168-F187 HydrophobicContact CG1-CZ 4.18Å; V168-F187 HydrophobicContact CG2-CE1 3.87Å; V168-F187 HydrophobicContact CG2-CE2 4.2Å; V168-F187 HydrophobicContact CG2-CZ 3.44Å; V168-F187 VanDerWaalsContact CG2-CZ 3.44Å; V168-H206 CarbonylContact O-C 3.59Å; V168-H206 WeakPolarHBondContact O-CA 3.5Å; V168-G207 PolarHBondContact N-O 2.95Å; V168-G207 PolarHBondContact O-N 3.37Å; V168-V209 HydrophobicContact CG2-CG2 3.99Å; V168-L236 HydrophobicContact CG1-CD2 3.84Å; V168-R237 CarbonylContact C-O 3.59Å; V168-R237 WeakPolarHBondContact CA-O 3.49Å
169	V	93.6	Very high	81	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.7	162.9	-165.2	0	0	0	0	107.9	Q204 Y205 H206 R237	V169-Q204 HydrophobicContact CG1-CB 3.99Å; V169-Y205 CarbonylContact C-O 3.48Å; V169-Y205 WeakPolarHBondContact CA-O 3.42Å; V169-H206 WeakPolarHBondContact CG2-ND1 3.49Å; V169-R237 HydrophobicContact CB-CB 4.37Å; V169-R237 PolarHBondContact N-O 2.88Å; V169-R237 PolarHBondContact O-N 2.94Å
170	V	92	Very high	82.9	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108	176.1	-163.6	0	0	0	0	108.1	V168 I173 I178 Y205 I229 C234 S235 L236	V168-V170 HydrophobicContact CG1-CG2 4.27Å; V170-I173 HydrophobicContact CG1-CG2 4.49Å; V170-I173 WeakPolarHBondContact O-CG2 3.41Å; V170-I178 HydrophobicContact CG1-CG1 4.32Å; V170-I178 HydrophobicContact CG2-CG2 4.43Å; V170-Y205 PolarHBondContact N-O 2.75Å; V170-Y205 PolarHBondContact O-N 2.86Å; V170-I229 HydrophobicContact CG1-CD1 3.87Å; V170-I229 HydrophobicContact CG2-CD1 4.15Å; V170-C234 HydrophobicContact CG1-CB 3.67Å; V170-S235 WeakPolarHBondContact CA-O 3.4Å; V170-L236 HydrophobicContact CG2-CD2 4.02Å
171	D	87	Confident	84.6	Confident	35 Å²	35	46.6 Å²	46.6	19%	0.187	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	169.1	174.5	-57.9	-33.9	0	0	0	110.3	I173 Q204 C234 S235 R237	D171-I173 PolarHBondContact O-N 3.37Å; D171-Q204 PolarHBondContact OD1-NE2 2.74Å; D171-Q204 VanDerWaalsContact OD1-NE2 3.11Å; D171-Q204 PolarHBondContact OD1-OE1 3.25Å; D171-C234 CarbonylContact O-C 3.59Å; D171-C234 WeakPolarHBondContact O-CA 3.4Å; D171-S235 PolarHBondContact N-O 3.39Å; D171-S235 PolarHBondContact O-N 2.94Å; D171-R237 IonicContact OD1-CZ 3.3Å; D171-R237 IonicContact OD1-NE 2.77Å; D171-R237 IonicContact OD1-NH2 3.12Å; D171-R237 PolarHBondContact OD1-NH2 2.74Å; D171-R237 IonicContact OD2-CZ 2.75Å; D171-R237 VanDerWaalsContact OD2-CZ 3.3Å; D171-R237 IonicContact OD2-NE 2.66Å; D171-R237 PolarHBondContact OD2-NE 3.45Å; D171-R237 IonicContact OD2-NH2 3.72Å; D171-R237 PolarHBondContact OD2-NH2 3.44Å; D171-R237 VanDerWaalsContact OD2-NH2 3.12Å
172	N	82.7	Confident	86	Confident	76 Å²	76	41.2 Å²	41.2	41%	0.406	23%	0.227	S	C	.	.			trans	54.9	48.7	176.2	-170.3	24.8	0	0	0	113.2	M174 G232 C234	N172-M174 VanDerWaalsContact C-N 3.3Å; N172-M174 PolarHBondContact O-N 3.46Å; N172-M174 WeakPolarHBondContact OD1-CG 3.46Å; N172-G232 PolarHBondContact ND2-O 3.25Å; N172-C234 PolarHBondContact O-N 3.16Å
173	I	82.1	Confident	87	Confident	34 Å²	34	39.6 Å²	39.6	17%	0.174	22%	0.216	C	C	.	.			trans	-69	-21.3	-170.5	64.2	166.1	0	0	0	114.4	V170 D171 G175 Q176 N203 Y205	V170-I173 HydrophobicContact CG1-CG2 4.49Å; V170-I173 WeakPolarHBondContact O-CG2 3.41Å; D171-I173 PolarHBondContact O-N 3.37Å; I173-G175 PolarHBondContact O-N 3.29Å; I173-Q176 VanDerWaalsContact O-CB 3.28Å; I173-Q176 WeakPolarHBondContact O-CB 3.45Å; I173-Q176 PolarHBondContact O-N 3.41Å; I173-N203 WeakPolarHBondContact CD1-O 3.49Å; I173-Y205 HydrophobicContact CB-CD2 4.44Å; I173-Y205 HydrophobicContact CB-CE2 4.48Å; I173-Y205 HydrophobicContact CD1-CD2 4.5Å; I173-Y205 HydrophobicContact CD1-CE2 4.15Å; I173-Y205 HydrophobicContact CG2-CD2 3.77Å; I173-Y205 HydrophobicContact CG2-CE2 4.28Å
174	M	78.9	Confident	87.5	Confident	75 Å²	75	39.1 Å²	39.1	37%	0.369	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	39.7	174.8	-67.8	-175.2	51	0	0	115.6	N172 Q176 C233 K567	N172-M174 VanDerWaalsContact C-N 3.3Å; N172-M174 PolarHBondContact O-N 3.46Å; N172-M174 WeakPolarHBondContact OD1-CG 3.46Å; M174-Q176 PolarHBondContact O-N 2.93Å; M174-C233 HydrophobicContact CB-CB 4.32Å; M174-C233 HydrophobicContact CG-CB 4.03Å; M174-C233 HydrophobicContact SD-CB 3.41Å; M174-C233 WeakPolarHBondContact SD-CB 3.46Å; M174-K567 HydrophobicContact CE-CD 3.56Å; M174-K567 HydrophobicContact SD-CD 4.35Å; M174-K567 PolarHBondContact SD-NZ 2.78Å
175	G	77.6	Confident	87.5	Confident	73 Å²	73	41.9 Å²	41.9	75%	0.753	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	-2.2	-178.7	0	0	0	0	0	115.6	I173	I173-G175 PolarHBondContact O-N 3.29Å
176	Q	79.7	Confident	87.4	Confident	89 Å²	89	43.3 Å²	43.3	42%	0.416	23%	0.229	S	C	.	.			trans	-69.6	142.4	173.7	-59.1	-60	-33.8	0	0	110.8	I173 M174 Y230	I173-Q176 VanDerWaalsContact O-CB 3.28Å; I173-Q176 WeakPolarHBondContact O-CB 3.45Å; I173-Q176 PolarHBondContact O-N 3.41Å; M174-Q176 PolarHBondContact O-N 2.93Å; Q176-Y230 HydrophobicContact CB-CE2 4.1Å; Q176-Y230 HydrophobicContact CG-CD2 4.19Å; Q176-Y230 HydrophobicContact CG-CE2 4.16Å
177	Q	81.4	Confident	87.4	Confident	156 Å²	156	43.3 Å²	43.3	73%	0.729	23%	0.229	S	C	*	.			trans	-95.4	118.8	174.9	-64.7	-169.2	-0.3	0	0	110.4	I182	Q177-I182 WeakPolarHBondContact O-CD1 3.25Å
178	I	84.5	Confident	87.4	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.229	C	C	.	.			trans	-98.3	104.3	176.4	-51.6	-55.8	0	0	0	109.4	V170 L183 Y205 I229 Y230 C234	V170-I178 HydrophobicContact CG1-CG1 4.32Å; V170-I178 HydrophobicContact CG2-CG2 4.43Å; I178-L183 HydrophobicContact CG2-CD2 3.98Å; I178-L183 HydrophobicContact CG2-CG 4.06Å; I178-Y205 HydrophobicContact CB-CD1 4.37Å; I178-Y205 HydrophobicContact CB-CD2 3.8Å; I178-Y205 HydrophobicContact CB-CE2 4.11Å; I178-Y205 HydrophobicContact CB-CG 3.95Å; I178-Y205 HydrophobicContact CG1-CD2 3.71Å; I178-Y205 HydrophobicContact CG1-CE2 4.03Å; I178-Y205 HydrophobicContact CG1-CG 4.32Å; I178-I229 HydrophobicContact CD1-CD1 3.85Å; I178-I229 HydrophobicContact CD1-CG2 4.48Å; I178-I229 HydrophobicContact CG1-CD1 4.34Å; I178-I229 HydrophobicContact CG2-CD1 4.16Å; I178-Y230 HydrophobicContact CD1-CE2 3.91Å; I178-C234 HydrophobicContact CD1-CB 4.36Å
179	N	84.6	Confident	87.1	Confident	59 Å²	59	48.3 Å²	48.3	32%	0.316	25%	0.248	S	C	.	.			trans	-93.6	170.1	174	67.1	18.8	0	0	0	111.7	T181 I182 D254	N179-T181 PolarHBondContact O-N 3.03Å; N179-T181 WeakPolarHBondContact OD1-CB 3.4Å; N179-T181 PolarHBondContact OD1-N 3.23Å; N179-I182 PolarHBondContact O-N 3.48Å; N179-I182 WeakPolarHBondContact OD1-CD1 3.29Å; N179-I182 VanDerWaalsContact OD1-CG1 3.31Å; N179-I182 WeakPolarHBondContact OD1-CG1 3.22Å; N179-I182 PolarHBondContact OD1-N 2.97Å; N179-D254 WeakPolarHBondContact CA-O 3.47Å; N179-D254 WeakPolarHBondContact CB-O 3.49Å
180	H	87.7	Confident	87.2	Confident	14 Å²	14	50 Å²	50	7%	0.065	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-31.2	179.3	76.2	78.4	0	0	0	112.2	L183 H184 I196 S253 D254 Y259	H180-L183 PolarHBondContact O-N 3.5Å; H180-H184 PolarHBondContact O-N 2.75Å; H180-I196 HydrophobicContact CB-CB 4.21Å; H180-I196 HydrophobicContact CB-CG2 3.84Å; H180-S253 PolarHBondContact CD2-O 3.29Å; H180-D254 PolarHBondContact CD2-O 3.42Å; H180-D254 PolarHBondContact N-O 3.19Å; H180-D254 VanDerWaalsContact N-O 3.14Å; H180-Y259 PolarHBondContact CE1-OH 3.42Å; H180-Y259 AromaticContact ND1-CZ 3.81Å; H180-Y259 PolarHBondContact ND1-OH 2.79Å
181	T	87.6	Confident	87.2	Confident	40 Å²	40	50 Å²	50	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-37.7	-178.8	-55.5	0	0	0	0	112.9	N179 H184 K185	N179-T181 PolarHBondContact O-N 3.03Å; N179-T181 WeakPolarHBondContact OD1-CB 3.4Å; N179-T181 PolarHBondContact OD1-N 3.23Å; T181-H184 PolarHBondContact O-N 3.25Å; T181-K185 WeakPolarHBondContact O-CB 3.41Å; T181-K185 WeakPolarHBondContact O-CG 3.3Å; T181-K185 PolarHBondContact O-N 3.02Å
182	I	89.5	Confident	87.4	Confident	32 Å²	32	53.7 Å²	53.7	16%	0.164	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-47.5	173.4	-70.6	158.3	0	0	0	110.1	Q177 N179 H184 K185 I186 I229 Y230	Q177-I182 WeakPolarHBondContact O-CD1 3.25Å; N179-I182 PolarHBondContact O-N 3.48Å; N179-I182 WeakPolarHBondContact OD1-CD1 3.29Å; N179-I182 VanDerWaalsContact OD1-CG1 3.31Å; N179-I182 WeakPolarHBondContact OD1-CG1 3.22Å; N179-I182 PolarHBondContact OD1-N 2.97Å; I182-H184 VanDerWaalsContact C-N 3.34Å; I182-H184 PolarHBondContact O-N 3.28Å; I182-K185 PolarHBondContact O-N 3.47Å; I182-I186 HydrophobicContact CG2-CD1 4.02Å; I182-I186 WeakPolarHBondContact O-CG1 3.45Å; I182-I186 PolarHBondContact O-N 3.04Å; I182-I229 HydrophobicContact CG2-CD1 4.4Å; I182-I229 HydrophobicContact CG2-CG2 3.79Å; I182-Y230 WeakPolarHBondContact CD1-OH 3.49Å
183	L	92	Very high	87.9	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-41.6	176.4	-63.1	-174.5	0	0	0	111.3	I178 H180 K185 I186 F187 I196 T198 I229	I178-L183 HydrophobicContact CG2-CD2 3.98Å; I178-L183 HydrophobicContact CG2-CG 4.06Å; H180-L183 PolarHBondContact O-N 3.5Å; L183-K185 PolarHBondContact O-N 3.08Å; L183-I186 PolarHBondContact O-N 2.9Å; L183-F187 HydrophobicContact CB-CD2 4.45Å; L183-F187 HydrophobicContact CD2-CE2 4.21Å; L183-F187 WeakPolarHBondContact O-CB 3.41Å; L183-F187 VanDerWaalsContact O-CD2 3.29Å; L183-F187 WeakPolarHBondContact O-CD2 3.41Å; L183-F187 PolarHBondContact O-N 2.89Å; L183-I196 HydrophobicContact CB-CD1 4.19Å; L183-I196 HydrophobicContact CD1-CG2 4.28Å; L183-T198 HydrophobicContact CD1-CG2 3.5Å; L183-I229 HydrophobicContact CD2-CD1 4.19Å
184	H	91.8	Very high	88.4	Confident	4 Å²	4	50 Å²	50	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-58	-48	174.8	-170.8	-76.2	0	0	0	111.8	H180 T181 I182 I186 F187 Y188 I196 Y259 L264	H180-H184 PolarHBondContact O-N 2.75Å; T181-H184 PolarHBondContact O-N 3.25Å; I182-H184 VanDerWaalsContact C-N 3.34Å; I182-H184 PolarHBondContact O-N 3.28Å; H184-I186 PolarHBondContact O-N 3.46Å; H184-I186 VanDerWaalsContact O-N 3.16Å; H184-F187 PolarHBondContact O-N 3.33Å; H184-Y188 AromaticContact CE1-CD2 3.22Å; H184-Y188 WeakPolarHBondContact CE1-CD2 3.49Å; H184-Y188 AromaticContact CE1-CE2 3.99Å; H184-Y188 AromaticContact CE1-CG 3.49Å; H184-Y188 VanDerWaalsContact CE1-CG 3.49Å; H184-Y188 AromaticContact NE2-CD2 3.46Å; H184-Y188 WeakPolarHBondContact NE2-CD2 3.45Å; H184-Y188 WeakPolarHBondContact O-CB 3.5Å; H184-Y188 PolarHBondContact O-N 3.46Å; H184-I196 HydrophobicContact CB-CD1 3.76Å; H184-Y259 WeakPolarHBondContact CB-OH 3.31Å; H184-Y259 AromaticContact CD2-CE1 3.82Å; H184-Y259 AromaticContact CD2-CE2 3.52Å; H184-Y259 AromaticContact CD2-CZ 3.37Å; H184-Y259 AromaticContact CG-CZ 3.88Å; H184-L264 WeakPolarHBondContact CE1-CD1 3.16Å
185	K	89.3	Confident	89	Confident	96 Å²	96	48.6 Å²	48.6	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-55.4	-32.7	178	-79	178	174.4	-168.1	0	113.7	T181 I182 L183 L272	T181-K185 WeakPolarHBondContact O-CB 3.41Å; T181-K185 WeakPolarHBondContact O-CG 3.3Å; T181-K185 PolarHBondContact O-N 3.02Å; I182-K185 PolarHBondContact O-N 3.47Å; L183-K185 PolarHBondContact O-N 3.08Å; K185-L272 HydrophobicContact CB-CD2 4.07Å; K185-L272 HydrophobicContact CG-CD2 3.46Å; K185-L272 VanDerWaalsContact CG-CD2 3.46Å; K185-L272 HydrophobicContact CG-CG 4.29Å
186	I	91.7	Very high	89.8	Confident	35 Å²	35	45.1 Å²	45.1	18%	0.179	20%	0.204	C	C	.	.	H	α-helix	trans	-85.5	-52.7	-179.1	-63.7	166	0	0	0	111	I182 L183 H184 L224 I229 L236	I182-I186 HydrophobicContact CG2-CD1 4.02Å; I182-I186 WeakPolarHBondContact O-CG1 3.45Å; I182-I186 PolarHBondContact O-N 3.04Å; L183-I186 PolarHBondContact O-N 2.9Å; H184-I186 PolarHBondContact O-N 3.46Å; H184-I186 VanDerWaalsContact O-N 3.16Å; I186-L224 HydrophobicContact CG2-CD1 3.87Å; I186-L224 HydrophobicContact CG2-CD2 3.62Å; I186-L224 HydrophobicContact CG2-CG 4.41Å; I186-I229 HydrophobicContact CD1-CB 4.19Å; I186-I229 HydrophobicContact CD1-CD1 4.33Å; I186-I229 HydrophobicContact CD1-CG1 3.79Å; I186-I229 HydrophobicContact CD1-CG2 3.88Å; I186-L236 HydrophobicContact CG2-CD1 4.46Å
187	F	93.8	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-76.4	-28.6	-170.7	-77.7	-103.9	0	0	0	112.9	L166 V168 L183 H184 R189 Y190 I193 V209 F211 A220 L224 L236 V238	L166-F187 HydrophobicContact CD1-CD1 4.33Å; L166-F187 HydrophobicContact CD1-CE1 4.01Å; V168-F187 HydrophobicContact CB-CZ 4.49Å; V168-F187 HydrophobicContact CG1-CZ 4.18Å; V168-F187 HydrophobicContact CG2-CE1 3.87Å; V168-F187 HydrophobicContact CG2-CE2 4.2Å; V168-F187 HydrophobicContact CG2-CZ 3.44Å; V168-F187 VanDerWaalsContact CG2-CZ 3.44Å; L183-F187 HydrophobicContact CB-CD2 4.45Å; L183-F187 HydrophobicContact CD2-CE2 4.21Å; L183-F187 WeakPolarHBondContact O-CB 3.41Å; L183-F187 VanDerWaalsContact O-CD2 3.29Å; L183-F187 WeakPolarHBondContact O-CD2 3.41Å; L183-F187 PolarHBondContact O-N 2.89Å; H184-F187 PolarHBondContact O-N 3.33Å; F187-R189 PolarHBondContact O-N 3.2Å; F187-R189 VanDerWaalsContact O-N 3.11Å; F187-Y190 PolarHBondContact O-N 2.98Å; F187-Y190 VanDerWaalsContact O-N 3.08Å; F187-I193 HydrophobicContact CB-CD1 3.67Å; F187-V209 HydrophobicContact CB-CG1 4.21Å; F187-V209 HydrophobicContact CD1-CB 4.46Å; F187-V209 HydrophobicContact CD1-CG1 4.16Å; F187-V209 HydrophobicContact CD1-CG2 4.4Å; F187-V209 HydrophobicContact CG-CG1 4.29Å; F187-V209 HydrophobicContact CG-CG2 4.46Å; F187-F211 HydrophobicContact CB-CZ 3.9Å; F187-F211 AromaticContact CD1-CE2 3.98Å; F187-F211 HydrophobicContact CD1-CE2 3.98Å; F187-F211 AromaticContact CD1-CZ 3.9Å; F187-F211 HydrophobicContact CD1-CZ 3.9Å; F187-F211 HydrophobicContact CG-CZ 4.42Å; F187-F211 WeakPolarHBondContact O-CE1 3.31Å; F187-A220 HydrophobicContact CD1-CB 4.35Å; F187-L224 HydrophobicContact CD1-CD1 3.65Å; F187-L224 HydrophobicContact CD2-CD1 3.91Å; F187-L224 HydrophobicContact CE1-CD1 3.59Å; F187-L224 HydrophobicContact CE2-CD1 3.86Å; F187-L224 HydrophobicContact CG-CD1 3.81Å; F187-L224 HydrophobicContact CZ-CD1 3.69Å; F187-L236 HydrophobicContact CE2-CD1 4.45Å; F187-V238 HydrophobicContact CE1-CG1 4.12Å; F187-V238 HydrophobicContact CE1-CG2 4.41Å; F187-V238 HydrophobicContact CZ-CG1 4.46Å; F187-V238 HydrophobicContact CZ-CG2 3.98Å
188	Y	92.1	Very high	90.8	Very high	79 Å²	79	34.8 Å²	34.8	31%	0.31	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-62.4	-22.3	-179.2	-175.6	-93.1	0	0	0	113.2	H184 Y190 G191	H184-Y188 AromaticContact CE1-CD2 3.22Å; H184-Y188 WeakPolarHBondContact CE1-CD2 3.49Å; H184-Y188 AromaticContact CE1-CE2 3.99Å; H184-Y188 AromaticContact CE1-CG 3.49Å; H184-Y188 VanDerWaalsContact CE1-CG 3.49Å; H184-Y188 AromaticContact NE2-CD2 3.46Å; H184-Y188 WeakPolarHBondContact NE2-CD2 3.45Å; H184-Y188 WeakPolarHBondContact O-CB 3.5Å; H184-Y188 PolarHBondContact O-N 3.46Å; Y188-Y190 PolarHBondContact O-N 2.69Å; Y188-Y190 VanDerWaalsContact O-N 3.08Å; Y188-G191 PolarHBondContact O-N 3.3Å
189	R	90.4	Very high	91	Very high	106 Å²	106	38.9 Å²	38.9	40%	0.4	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-62.5	-12.8	175.5	-64.8	178.1	59.2	169.4	-8.9	113.8	F187	F187-R189 PolarHBondContact O-N 3.2Å; F187-R189 VanDerWaalsContact O-N 3.11Å
190	Y	93.8	Very high	91.1	Very high	39 Å²	39	39.9 Å²	39.9	15%	0.153	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-117.7	11.1	-178.2	-52.5	-82.3	0	0	0	112.9	Y107 F187 Y188 H216 V219 A220 H223 L224	Y107-Y190 WeakPolarHBondContact OH-CA 3.31Å; Y107-Y190 PolarHBondContact OH-O 2.85Å; F187-Y190 PolarHBondContact O-N 2.98Å; F187-Y190 VanDerWaalsContact O-N 3.08Å; Y188-Y190 PolarHBondContact O-N 2.69Å; Y188-Y190 VanDerWaalsContact O-N 3.08Å; Y190-H216 VanDerWaalsContact O-CA 3.29Å; Y190-H216 WeakPolarHBondContact O-CA 3.49Å; Y190-H216 WeakPolarHBondContact O-CB 3.32Å; Y190-V219 HydrophobicContact CD1-CG1 3.95Å; Y190-A220 HydrophobicContact CD2-CB 4.11Å; Y190-A220 HydrophobicContact CG-CB 3.97Å; Y190-H223 HydrophobicContact CD1-CB 4.38Å; Y190-H223 HydrophobicContact CE1-CB 3.49Å; Y190-H223 VanDerWaalsContact CE1-CB 3.49Å; Y190-H223 AromaticContact CE1-CG 3.69Å; Y190-L224 HydrophobicContact CD2-CD1 3.98Å; Y190-L224 HydrophobicContact CD2-CG 4.37Å; Y190-L224 HydrophobicContact CE2-CD1 3.66Å; Y190-L224 HydrophobicContact CE2-CD2 3.78Å; Y190-L224 HydrophobicContact CE2-CG 3.67Å
191	G	92.3	Very high	91	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	143.3	159.6	178.4	0	0	0	0	0	114.4	Y188 I193 H216	Y188-G191 PolarHBondContact O-N 3.3Å; G191-I193 PolarHBondContact O-N 2.8Å; G191-H216 WeakPolarHBondContact CA-ND1 3.32Å
192	K	91.9	Very high	90.8	Very high	113 Å²	113	49.4 Å²	49.4	49%	0.491	22%	0.223	S	C	.	.			trans	-53.3	122.9	169.1	-176.1	176.4	-178.9	178.7	0	111	G212	K192-G212 PolarHBondContact O-N 3.04Å
193	I	93	Very high	90.3	Very high	5 Å²	5	54 Å²	54	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.3	170.1	-63.4	176.4	0	0	0	108.5	F187 G191 I196 V209 F211 Y259	F187-I193 HydrophobicContact CB-CD1 3.67Å; G191-I193 PolarHBondContact O-N 2.8Å; I193-I196 HydrophobicContact CD1-CD1 4.23Å; I193-I196 HydrophobicContact CG2-CD1 4.18Å; I193-I196 HydrophobicContact CG2-CG1 3.82Å; I193-V209 HydrophobicContact CD1-CG1 4.25Å; I193-V209 HydrophobicContact CG1-CG1 4.36Å; I193-V209 HydrophobicContact CG2-CG1 4.32Å; I193-F211 HydrophobicContact CG1-CD1 4.23Å; I193-F211 HydrophobicContact CG1-CE1 4.01Å; I193-Y259 HydrophobicContact CG2-CD2 4.03Å; I193-Y259 HydrophobicContact CG2-CE2 4.33Å
194	L	92.1	Very high	90	Very high	29 Å²	29	56.9 Å²	56.9	15%	0.152	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-48.2	171.7	-56.6	-173.7	0	0	0	110.9	E210 Y259 L260	L194-E210 HydrophobicContact CB-CB 4.49Å; L194-E210 HydrophobicContact CB-CG 4.18Å; L194-E210 HydrophobicContact CD1-CG 4.24Å; L194-E210 PolarHBondContact N-O 3.48Å; L194-Y259 WeakPolarHBondContact O-CA 3.45Å; L194-Y259 WeakPolarHBondContact O-CB 3.23Å; L194-Y259 PolarHBondContact O-N 3.43Å; L194-L260 HydrophobicContact CB-CD1 4.12Å; L194-L260 HydrophobicContact CB-CG 4.42Å; L194-L260 HydrophobicContact CD1-CD1 4.29Å; L194-L260 HydrophobicContact CD2-CD1 4.22Å; L194-L260 HydrophobicContact CD2-CD2 4.06Å; L194-L260 HydrophobicContact CD2-CG 4.13Å; L194-L260 HydrophobicContact CG-CD1 4.44Å
195	R	92.9	Very high	89.9	Confident	44 Å²	44	58.1 Å²	58.1	17%	0.166	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.5	-172.1	-58	-176.5	-177.3	98.2	0.7	111.7	E210 L247 V249 D258	R195-E210 HydrophobicContact CB-CB 4.2Å; R195-E210 WeakPolarHBondContact CD-OE2 3.45Å; R195-E210 IonicContact CZ-OE2 2.8Å; R195-E210 PolarHBondContact N-O 3.15Å; R195-E210 IonicContact NE-OE2 3.35Å; R195-E210 IonicContact NH1-OE1 3.38Å; R195-E210 PolarHBondContact NH1-OE1 3.25Å; R195-E210 IonicContact NH1-OE2 3.87Å; R195-E210 PolarHBondContact NH1-OE2 3.43Å; R195-E210 PolarHBondContact O-N 3Å; R195-L247 HydrophobicContact CB-CB 4.24Å; R195-L247 HydrophobicContact CB-CD2 3.97Å; R195-L247 HydrophobicContact CB-CG 4.36Å; R195-L247 WeakPolarHBondContact CD-O 3.38Å; R195-L247 PolarHBondContact NE-O 3.2Å; R195-V249 HydrophobicContact CB-CG2 4.11Å; R195-V249 HydrophobicContact CG-CG2 4.35Å; R195-D258 HydrophobicContact CG-CB 4.31Å; R195-D258 IonicContact CZ-OD2 2.87Å; R195-D258 VanDerWaalsContact NE-CG 3.35Å; R195-D258 IonicContact NE-OD1 3.31Å; R195-D258 IonicContact NE-OD2 3.16Å; R195-D258 PolarHBondContact NE-OD2 2.78Å; R195-D258 IonicContact NH2-OD2 3.55Å
196	I	93.8	Very high	90	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.1	169.3	-60.2	178.5	0	0	0	108.8	H180 L183 H184 I193 T198 L208 V209 C256 R257 Y259	H180-I196 HydrophobicContact CB-CB 4.21Å; H180-I196 HydrophobicContact CB-CG2 3.84Å; L183-I196 HydrophobicContact CB-CD1 4.19Å; L183-I196 HydrophobicContact CD1-CG2 4.28Å; H184-I196 HydrophobicContact CB-CD1 3.76Å; I193-I196 HydrophobicContact CD1-CD1 4.23Å; I193-I196 HydrophobicContact CG2-CD1 4.18Å; I193-I196 HydrophobicContact CG2-CG1 3.82Å; I196-T198 HydrophobicContact CG2-CG2 3.96Å; I196-L208 WeakPolarHBondContact CA-O 3.14Å; I196-V209 HydrophobicContact CG1-CG1 4.31Å; I196-V209 HydrophobicContact CG1-CG2 4.31Å; I196-C256 CarbonylContact O-C 3.52Å; I196-C256 VanDerWaalsContact O-CA 3.27Å; I196-C256 WeakPolarHBondContact O-CA 3.49Å; I196-R257 PolarHBondContact N-O 3.06Å; I196-R257 VanDerWaalsContact N-O 3.09Å; I196-R257 PolarHBondContact O-N 3.24Å; I196-Y259 HydrophobicContact CB-CE2 4.34Å; I196-Y259 HydrophobicContact CD1-CE2 3.96Å; I196-Y259 HydrophobicContact CG1-CE2 3.96Å
197	V	91.9	Very high	90.1	Very high	24 Å²	24	52.4 Å²	52.4	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.6	170.3	168.5	0	0	0	0	108	G207 L208 L247 V249 R255 C256	V197-G207 CarbonylContact O-C 3.55Å; V197-G207 WeakPolarHBondContact O-CA 3.33Å; V197-L208 PolarHBondContact N-O 2.75Å; V197-L208 PolarHBondContact O-N 3.25Å; V197-L247 HydrophobicContact CB-CD1 4.3Å; V197-L247 HydrophobicContact CB-CD2 4.07Å; V197-L247 HydrophobicContact CB-CG 4.45Å; V197-L247 HydrophobicContact CG2-CD1 4.04Å; V197-L247 HydrophobicContact CG2-CD2 3.83Å; V197-L247 HydrophobicContact CG2-CG 3.88Å; V197-V249 HydrophobicContact CG2-CG2 3.75Å; V197-R255 CarbonylContact C-O 3.58Å; V197-C256 HydrophobicContact CG2-CB 4.29Å
198	T	90.1	Very high	90.1	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.4	171.8	78.6	0	0	0	0	111.9	L183 I196 H206 R255	L183-T198 HydrophobicContact CD1-CG2 3.5Å; I196-T198 HydrophobicContact CG2-CG2 3.96Å; T198-H206 CarbonylContact C-O 3.57Å; T198-H206 WeakPolarHBondContact CA-O 3.08Å; T198-R255 PolarHBondContact N-O 3.09Å; T198-R255 WeakPolarHBondContact O-CB 3.38Å; T198-R255 WeakPolarHBondContact OG1-CA 3.47Å; T198-R255 WeakPolarHBondContact OG1-CB 3.47Å; T198-R255 PolarHBondContact OG1-O 3.07Å
199	Y	88.9	Confident	90.2	Very high	92 Å²	92	49.8 Å²	49.8	36%	0.361	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149	173.5	57.7	-86.3	0	0	0	110	K201 H206	Y199-K201 HydrophobicContact CD2-CB 4.17Å; Y199-K201 HydrophobicContact CE2-CB 4.17Å; Y199-K201 HydrophobicContact CE2-CD 4.43Å; Y199-H206 HydrophobicContact CD1-CB 4.27Å; Y199-H206 HydrophobicContact CD2-CB 3.96Å; Y199-H206 HydrophobicContact CE1-CB 3.83Å; Y199-H206 HydrophobicContact CE2-CB 3.48Å; Y199-H206 VanDerWaalsContact CE2-CB 3.48Å; Y199-H206 AromaticContact CE2-CG 3.85Å; Y199-H206 HydrophobicContact CG-CB 4.33Å; Y199-H206 VanDerWaalsContact CZ-CB 3.41Å; Y199-H206 PolarHBondContact N-O 2.96Å; Y199-H206 PolarHBondContact O-N 2.75Å
200	L	87.2	Confident	90.4	Very high	80 Å²	80	45.2 Å²	45.2	42%	0.419	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129	173.5	-167.1	75.4	0	0	0	108.8	Y205	L200-Y205 HydrophobicContact CD1-CD1 3.98Å; L200-Y205 HydrophobicContact CD1-CD2 4.25Å; L200-Y205 HydrophobicContact CD1-CE1 3.97Å; L200-Y205 HydrophobicContact CD1-CE2 4.23Å; L200-Y205 HydrophobicContact CD1-CG 4.12Å
201	K	84.8	Confident	90.4	Very high	117 Å²	117	43.4 Å²	43.4	51%	0.509	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132.6	171	-177.9	-177.1	179.4	-178.8	0	108	Y199 N203 Q204	Y199-K201 HydrophobicContact CD2-CB 4.17Å; Y199-K201 HydrophobicContact CE2-CB 4.17Å; Y199-K201 HydrophobicContact CE2-CD 4.43Å; K201-N203 VanDerWaalsContact C-N 3.3Å; K201-N203 PolarHBondContact O-N 2.94Å; K201-Q204 PolarHBondContact N-O 2.91Å; K201-Q204 PolarHBondContact O-N 3.46Å
202	N	84	Confident	90.4	Very high	136 Å²	136	45.3 Å²	45.3	73%	0.727	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	41.6	177.9	-55.1	-4.4	0	0	0	114.2	Q204	N202-Q204 PolarHBondContact O-N 3.04Å; N202-Q204 VanDerWaalsContact O-N 3.13Å
203	N	79.2	Confident	90.2	Very high	128 Å²	128	42.7 Å²	42.7	68%	0.684	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	17.6	-173.1	-82.4	7.4	0	0	0	116	I173 K201	I173-N203 WeakPolarHBondContact CD1-O 3.49Å; K201-N203 VanDerWaalsContact C-N 3.3Å; K201-N203 PolarHBondContact O-N 2.94Å
204	Q	84.9	Confident	90	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.299	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.9	170.5	-66.1	176.4	-4.9	0	0	109.3	V169 D171 K201 N202 H206	V169-Q204 HydrophobicContact CG1-CB 3.99Å; D171-Q204 PolarHBondContact OD1-NE2 2.74Å; D171-Q204 VanDerWaalsContact OD1-NE2 3.11Å; D171-Q204 PolarHBondContact OD1-OE1 3.25Å; K201-Q204 PolarHBondContact N-O 2.91Å; K201-Q204 PolarHBondContact O-N 3.46Å; N202-Q204 PolarHBondContact O-N 3.04Å; N202-Q204 VanDerWaalsContact O-N 3.13Å; Q204-H206 PolarHBondContact O-N 2.95Å
205	Y	90	Very high	89.9	Confident	29 Å²	29	44.8 Å²	44.8	11%	0.114	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	121	167.8	-73	-80.1	0	0	0	108.4	V169 V170 I173 I178 L200	V169-Y205 CarbonylContact C-O 3.48Å; V169-Y205 WeakPolarHBondContact CA-O 3.42Å; V170-Y205 PolarHBondContact N-O 2.75Å; V170-Y205 PolarHBondContact O-N 2.86Å; I173-Y205 HydrophobicContact CB-CD2 4.44Å; I173-Y205 HydrophobicContact CB-CE2 4.48Å; I173-Y205 HydrophobicContact CD1-CD2 4.5Å; I173-Y205 HydrophobicContact CD1-CE2 4.15Å; I173-Y205 HydrophobicContact CG2-CD2 3.77Å; I173-Y205 HydrophobicContact CG2-CE2 4.28Å; I178-Y205 HydrophobicContact CB-CD1 4.37Å; I178-Y205 HydrophobicContact CB-CD2 3.8Å; I178-Y205 HydrophobicContact CB-CE2 4.11Å; I178-Y205 HydrophobicContact CB-CG 3.95Å; I178-Y205 HydrophobicContact CG1-CD2 3.71Å; I178-Y205 HydrophobicContact CG1-CE2 4.03Å; I178-Y205 HydrophobicContact CG1-CG 4.32Å; L200-Y205 HydrophobicContact CD1-CD1 3.98Å; L200-Y205 HydrophobicContact CD1-CD2 4.25Å; L200-Y205 HydrophobicContact CD1-CE1 3.97Å; L200-Y205 HydrophobicContact CD1-CE2 4.23Å; L200-Y205 HydrophobicContact CD1-CG 4.12Å
206	H	92.1	Very high	90	Very high	11 Å²	11	44 Å²	44	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	139	167.6	-66.2	-90.2	0	0	0	108.9	R167 V168 V169 T198 Y199 Q204	R167-H206 PolarHBondContact NH2-CE1 2.89Å; R167-H206 PolarHBondContact NH2-ND1 3.49Å; V168-H206 CarbonylContact O-C 3.59Å; V168-H206 WeakPolarHBondContact O-CA 3.5Å; V169-H206 WeakPolarHBondContact CG2-ND1 3.49Å; T198-H206 CarbonylContact C-O 3.57Å; T198-H206 WeakPolarHBondContact CA-O 3.08Å; Y199-H206 HydrophobicContact CD1-CB 4.27Å; Y199-H206 HydrophobicContact CD2-CB 3.96Å; Y199-H206 HydrophobicContact CE1-CB 3.83Å; Y199-H206 HydrophobicContact CE2-CB 3.48Å; Y199-H206 VanDerWaalsContact CE2-CB 3.48Å; Y199-H206 AromaticContact CE2-CG 3.85Å; Y199-H206 HydrophobicContact CG-CB 4.33Å; Y199-H206 VanDerWaalsContact CZ-CB 3.41Å; Y199-H206 PolarHBondContact N-O 2.96Å; Y199-H206 PolarHBondContact O-N 2.75Å; Q204-H206 PolarHBondContact O-N 2.95Å
207	G	92.2	Very high	89.9	Confident	1 Å²	1	44 Å²	44	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149	175.4	0	0	0	0	0	111.2	R167 V168 V197	R167-G207 WeakPolarHBondContact CA-O 3.31Å; V168-G207 PolarHBondContact N-O 2.95Å; V168-G207 PolarHBondContact O-N 3.37Å; V197-G207 CarbonylContact O-C 3.55Å; V197-G207 WeakPolarHBondContact O-CA 3.33Å
208	L	94.2	Very high	89.9	Confident	23 Å²	23	43.1 Å²	43.1	12%	0.12	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	161	-65.2	172.3	0	0	0	106.8	V165 L166 R167 I196 V197 L247	V165-L208 HydrophobicContact CG1-CB 4.29Å; V165-L208 HydrophobicContact CG1-CD2 4.27Å; L166-L208 WeakPolarHBondContact O-CA 3.33Å; R167-L208 HydrophobicContact CB-CD2 4.14Å; R167-L208 HydrophobicContact CG-CD2 4.42Å; I196-L208 WeakPolarHBondContact CA-O 3.14Å; V197-L208 PolarHBondContact N-O 2.75Å; V197-L208 PolarHBondContact O-N 3.25Å; L208-L247 HydrophobicContact CB-CD1 3.77Å; L208-L247 HydrophobicContact CB-CD2 3.79Å; L208-L247 HydrophobicContact CB-CG 4.47Å; L208-L247 HydrophobicContact CD1-CD1 3.64Å; L208-L247 HydrophobicContact CG-CD1 4.35Å; L208-L247 WeakPolarHBondContact O-CD2 3.23Å
209	V	95	Very high	90.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.9	179.7	-179.3	0	0	0	0	107.7	V165 L166 V168 F187 I193 I196 F211	V165-V209 WeakPolarHBondContact CA-O 3.49Å; L166-V209 PolarHBondContact N-O 3.35Å; L166-V209 PolarHBondContact O-N 3.33Å; V168-V209 HydrophobicContact CG2-CG2 3.99Å; F187-V209 HydrophobicContact CB-CG1 4.21Å; F187-V209 HydrophobicContact CD1-CB 4.46Å; F187-V209 HydrophobicContact CD1-CG1 4.16Å; F187-V209 HydrophobicContact CD1-CG2 4.4Å; F187-V209 HydrophobicContact CG-CG1 4.29Å; F187-V209 HydrophobicContact CG-CG2 4.46Å; I193-V209 HydrophobicContact CD1-CG1 4.25Å; I193-V209 HydrophobicContact CG1-CG1 4.36Å; I193-V209 HydrophobicContact CG2-CG1 4.32Å; I196-V209 HydrophobicContact CG1-CG1 4.31Å; I196-V209 HydrophobicContact CG1-CG2 4.31Å; V209-F211 HydrophobicContact CG1-CD2 4.24Å; V209-F211 HydrophobicContact CG1-CE2 3.88Å; V209-F211 HydrophobicContact CG1-CZ 4.36Å
210	E	94.4	Very high	90.3	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	175.7	-176.9	176.2	-164.6	0	0	109.9	V165 L194 R195 P246 L247	V165-E210 HydrophobicContact CG2-CB 4.1Å; V165-E210 HydrophobicContact CG2-CG 4.01Å; L194-E210 HydrophobicContact CB-CB 4.49Å; L194-E210 HydrophobicContact CB-CG 4.18Å; L194-E210 HydrophobicContact CD1-CG 4.24Å; L194-E210 PolarHBondContact N-O 3.48Å; R195-E210 HydrophobicContact CB-CB 4.2Å; R195-E210 WeakPolarHBondContact CD-OE2 3.45Å; R195-E210 IonicContact CZ-OE2 2.8Å; R195-E210 PolarHBondContact N-O 3.15Å; R195-E210 IonicContact NE-OE2 3.35Å; R195-E210 IonicContact NH1-OE1 3.38Å; R195-E210 PolarHBondContact NH1-OE1 3.25Å; R195-E210 IonicContact NH1-OE2 3.87Å; R195-E210 PolarHBondContact NH1-OE2 3.43Å; R195-E210 PolarHBondContact O-N 3Å; E210-P246 WeakPolarHBondContact OE1-CA 3.27Å; E210-P246 WeakPolarHBondContact OE1-CB 3.39Å; E210-L247 HydrophobicContact CB-CB 4.03Å; E210-L247 HydrophobicContact CB-CD2 4.4Å; E210-L247 WeakPolarHBondContact OE2-CB 3.3Å; E210-L247 PolarHBondContact OE2-N 3.01Å
211	F	94	Very high	90.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	158.6	172.7	-77.1	-87.7	0	0	0	112.3	T164 L166 F187 I193 V209 N213 H216 A217 A220	T164-F211 WeakPolarHBondContact CB-O 3.31Å; T164-F211 PolarHBondContact O-N 3.13Å; L166-F211 HydrophobicContact CD1-CD2 4.38Å; L166-F211 HydrophobicContact CD1-CE2 3.75Å; L166-F211 HydrophobicContact CG-CE2 4.31Å; F187-F211 HydrophobicContact CB-CZ 3.9Å; F187-F211 AromaticContact CD1-CE2 3.98Å; F187-F211 HydrophobicContact CD1-CE2 3.98Å; F187-F211 AromaticContact CD1-CZ 3.9Å; F187-F211 HydrophobicContact CD1-CZ 3.9Å; F187-F211 HydrophobicContact CG-CZ 4.42Å; F187-F211 WeakPolarHBondContact O-CE1 3.31Å; I193-F211 HydrophobicContact CG1-CD1 4.23Å; I193-F211 HydrophobicContact CG1-CE1 4.01Å; V209-F211 HydrophobicContact CG1-CD2 4.24Å; V209-F211 HydrophobicContact CG1-CE2 3.88Å; V209-F211 HydrophobicContact CG1-CZ 4.36Å; F211-N213 WeakPolarHBondContact CB-O 3.37Å; F211-N213 PolarHBondContact O-N 2.89Å; F211-H216 HydrophobicContact CB-CB 3.87Å; F211-H216 HydrophobicContact CD1-CB 3.43Å; F211-H216 VanDerWaalsContact CD1-CB 3.43Å; F211-H216 HydrophobicContact CE1-CB 4.09Å; F211-H216 HydrophobicContact CG-CB 3.8Å; F211-A217 HydrophobicContact CB-CB 4.33Å; F211-A217 HydrophobicContact CD2-CB 3.79Å; F211-A217 HydrophobicContact CE2-CB 4.49Å; F211-A217 HydrophobicContact CG-CB 4.32Å; F211-A220 HydrophobicContact CE2-CB 3.9Å; F211-A220 HydrophobicContact CZ-CB 3.6Å
212	G	91	Very high	90.8	Very high	41 Å²	41	31.5 Å²	31.5	42%	0.423	17%	0.17	S	C	.	.	S	Bend	trans	-68.4	-15.8	173.4	0	0	0	0	0	114.9	K192	K192-G212 PolarHBondContact O-N 3.04Å
213	N	88.6	Confident	91.1	Very high	57 Å²	57	27 Å²	27	31%	0.305	14%	0.144	S	C	.	.	S	Bend	trans	-150.5	147.7	-179.7	-171.9	-25.3	0	0	0	109.7	F211 I215 H216 A217	F211-N213 WeakPolarHBondContact CB-O 3.37Å; F211-N213 PolarHBondContact O-N 2.89Å; N213-I215 VanDerWaalsContact C-N 3.27Å; N213-I215 PolarHBondContact O-N 3.44Å; N213-I215 PolarHBondContact OD1-N 3.46Å; N213-H216 WeakPolarHBondContact O-CB 3.43Å; N213-H216 PolarHBondContact O-N 3.01Å; N213-A217 PolarHBondContact O-N 2.86Å
214	H	88.2	Confident	91.7	Very high	64 Å²	64	21.4 Å²	21.4	30%	0.296	11%	0.114	S	C	.	.	H	α-helix	trans	-63.6	-30.8	176	70.8	91.4	0	0	0	112.8	P162 H216 A217 F218	P162-H214 HydrophobicContact CB-CB 3.81Å; P162-H214 HydrophobicContact CG-CB 3.64Å; H214-H216 VanDerWaalsContact C-N 3.3Å; H214-H216 PolarHBondContact O-N 3.24Å; H214-A217 PolarHBondContact O-N 2.87Å; H214-F218 WeakPolarHBondContact O-CB 3.18Å; H214-F218 PolarHBondContact O-N 3.47Å
215	I	91.6	Very high	92	Very high	15 Å²	15	22.1 Å²	22.1	8%	0.077	12%	0.12	C	C	.	.	H	α-helix	trans	-59.7	-44.6	175.6	-63.3	-179.9	0	0	0	109.9	P75 F76 M103 Y107 N213 A217 F218 V219	P75-I215 HydrophobicContact CB-CG2 4.49Å; F76-I215 HydrophobicContact CD1-CD1 4.39Å; F76-I215 HydrophobicContact CD1-CG2 3.97Å; F76-I215 HydrophobicContact CE1-CG2 3.43Å; F76-I215 VanDerWaalsContact CE1-CG2 3.43Å; F76-I215 HydrophobicContact CZ-CG2 4.06Å; M103-I215 HydrophobicContact SD-CD1 4.08Å; Y107-I215 HydrophobicContact CD2-CG2 4.31Å; N213-I215 VanDerWaalsContact C-N 3.27Å; N213-I215 PolarHBondContact O-N 3.44Å; N213-I215 PolarHBondContact OD1-N 3.46Å; I215-A217 PolarHBondContact O-N 2.95Å; I215-F218 PolarHBondContact O-N 3.42Å; I215-V219 HydrophobicContact CG2-CG2 4.26Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 3.27Å; I215-V219 PolarHBondContact O-N 3.31Å
216	H	93.9	Very high	91.8	Very high	27 Å²	27	23.5 Å²	23.5	13%	0.125	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-46.2	178.3	-57.5	177.7	0	0	0	111	Y107 Y190 G191 F211 N213 H214 F218 A220	Y107-H216 AromaticContact CE2-CD2 3.57Å; Y190-H216 VanDerWaalsContact O-CA 3.29Å; Y190-H216 WeakPolarHBondContact O-CA 3.49Å; Y190-H216 WeakPolarHBondContact O-CB 3.32Å; G191-H216 WeakPolarHBondContact CA-ND1 3.32Å; F211-H216 HydrophobicContact CB-CB 3.87Å; F211-H216 HydrophobicContact CD1-CB 3.43Å; F211-H216 VanDerWaalsContact CD1-CB 3.43Å; F211-H216 HydrophobicContact CE1-CB 4.09Å; F211-H216 HydrophobicContact CG-CB 3.8Å; N213-H216 WeakPolarHBondContact O-CB 3.43Å; N213-H216 PolarHBondContact O-N 3.01Å; H214-H216 VanDerWaalsContact C-N 3.3Å; H214-H216 PolarHBondContact O-N 3.24Å; H216-F218 PolarHBondContact O-N 3.12Å; H216-A220 WeakPolarHBondContact O-CB 3.43Å; H216-A220 PolarHBondContact O-N 2.8Å
217	A	92.3	Very high	91.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-42	176.2	0	0	0	0	0	112.1	L166 F211 N213 H214 I215 M221 F240	L166-A217 HydrophobicContact CD1-CB 4.42Å; L166-A217 WeakPolarHBondContact CD1-O 3.4Å; L166-A217 HydrophobicContact CD2-CB 3.97Å; L166-A217 HydrophobicContact CG-CB 4Å; F211-A217 HydrophobicContact CB-CB 4.33Å; F211-A217 HydrophobicContact CD2-CB 3.79Å; F211-A217 HydrophobicContact CE2-CB 4.49Å; F211-A217 HydrophobicContact CG-CB 4.32Å; N213-A217 PolarHBondContact O-N 2.86Å; H214-A217 PolarHBondContact O-N 2.87Å; I215-A217 PolarHBondContact O-N 2.95Å; A217-M221 WeakPolarHBondContact O-CB 3.33Å; A217-M221 PolarHBondContact O-N 3.37Å; A217-F240 HydrophobicContact CB-CE1 3.98Å
218	F	91.7	Very high	91.3	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-47.2	-179.9	-163.8	-174.9	0	0	0	112	I74 P75 I149 L154 H214 I215 H216 A220 M221 L222 F240	I74-F218 HydrophobicContact CG2-CE1 4.08Å; I74-F218 HydrophobicContact CG2-CE2 4.5Å; I74-F218 HydrophobicContact CG2-CZ 3.66Å; P75-F218 HydrophobicContact CB-CB 4.36Å; P75-F218 HydrophobicContact CB-CD1 3.97Å; P75-F218 HydrophobicContact CB-CG 4.26Å; P75-F218 HydrophobicContact CG-CD1 4.37Å; P75-F218 HydrophobicContact CG-CG 4.41Å; I149-F218 HydrophobicContact CG2-CE2 4.18Å; I149-F218 HydrophobicContact CG2-CZ 4.27Å; L154-F218 HydrophobicContact CD1-CD1 3.87Å; L154-F218 HydrophobicContact CD1-CE1 3.39Å; L154-F218 HydrophobicContact CD1-CZ 3.83Å; H214-F218 WeakPolarHBondContact O-CB 3.18Å; H214-F218 PolarHBondContact O-N 3.47Å; I215-F218 PolarHBondContact O-N 3.42Å; H216-F218 PolarHBondContact O-N 3.12Å; F218-A220 VanDerWaalsContact C-N 3.33Å; F218-A220 PolarHBondContact O-N 2.79Å; F218-M221 HydrophobicContact CD2-CE 3.83Å; F218-M221 HydrophobicContact CE2-CE 3.79Å; F218-M221 PolarHBondContact O-N 3.11Å; F218-L222 HydrophobicContact CD2-CD1 4.17Å; F218-L222 HydrophobicContact CD2-CG 4.02Å; F218-L222 HydrophobicContact CE2-CD1 4Å; F218-L222 HydrophobicContact CE2-CD2 4.06Å; F218-L222 HydrophobicContact CE2-CG 3.97Å; F218-L222 WeakPolarHBondContact O-CG 3.38Å; F218-L222 PolarHBondContact O-N 2.68Å; F218-F240 HydrophobicContact CB-CZ 3.82Å; F218-F240 HydrophobicContact CD2-CE2 4.02Å; F218-F240 AromaticContact CD2-CZ 3.99Å; F218-F240 HydrophobicContact CD2-CZ 3.99Å; F218-F240 HydrophobicContact CG-CE2 4.46Å; F218-F240 HydrophobicContact CG-CZ 4.02Å
219	V	93.2	Very high	90.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-45.5	175.6	-178.2	0	0	0	0	110.3	P75 F76 Y107 Y190 I215 M221 L222 H223	P75-V219 HydrophobicContact CB-CG2 3.59Å; P75-V219 HydrophobicContact CG-CG2 3.7Å; F76-V219 HydrophobicContact CZ-CG2 4.15Å; Y107-V219 HydrophobicContact CE1-CB 4.43Å; Y107-V219 HydrophobicContact CE1-CG1 4.09Å; Y107-V219 HydrophobicContact CE1-CG2 3.92Å; Y107-V219 WeakPolarHBondContact OH-CG1 3.17Å; Y190-V219 HydrophobicContact CD1-CG1 3.95Å; I215-V219 HydrophobicContact CG2-CG2 4.26Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 3.27Å; I215-V219 PolarHBondContact O-N 3.31Å; V219-M221 PolarHBondContact O-N 3.23Å; V219-L222 PolarHBondContact O-N 3.08Å; V219-H223 PolarHBondContact O-N 2.96Å; V219-H223 VanDerWaalsContact O-N 3.16Å; V219-H223 PolarHBondContact O-ND1 3.18Å
220	A	93.9	Very high	90.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-44.4	177.8	0	0	0	0	0	112.2	L166 F187 Y190 F211 H216 F218 H223 L224	L166-A220 HydrophobicContact CD1-CB 3.96Å; F187-A220 HydrophobicContact CD1-CB 4.35Å; Y190-A220 HydrophobicContact CD2-CB 4.11Å; Y190-A220 HydrophobicContact CG-CB 3.97Å; F211-A220 HydrophobicContact CE2-CB 3.9Å; F211-A220 HydrophobicContact CZ-CB 3.6Å; H216-A220 WeakPolarHBondContact O-CB 3.43Å; H216-A220 PolarHBondContact O-N 2.8Å; F218-A220 VanDerWaalsContact C-N 3.33Å; F218-A220 PolarHBondContact O-N 2.79Å; A220-H223 PolarHBondContact O-N 3.44Å; A220-L224 HydrophobicContact CB-CD1 4.43Å; A220-L224 VanDerWaalsContact O-CB 3.22Å; A220-L224 WeakPolarHBondContact O-CB 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.18Å; A220-L224 PolarHBondContact O-N 2.91Å
221	M	92.2	Very high	89.4	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.034	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-49.8	176.7	-176.3	-158.9	76.2	0	0	111.7	D153 L166 A217 F218 V219 H223 N225 V238 F240	D153-M221 HydrophobicContact CB-CE 4.01Å; D153-M221 HydrophobicContact CB-SD 4.43Å; L166-M221 HydrophobicContact CD1-CB 4.41Å; L166-M221 HydrophobicContact CD2-CB 4.17Å; A217-M221 WeakPolarHBondContact O-CB 3.33Å; A217-M221 PolarHBondContact O-N 3.37Å; F218-M221 HydrophobicContact CD2-CE 3.83Å; F218-M221 HydrophobicContact CE2-CE 3.79Å; F218-M221 PolarHBondContact O-N 3.11Å; V219-M221 PolarHBondContact O-N 3.23Å; M221-H223 VanDerWaalsContact C-N 3.27Å; M221-H223 PolarHBondContact O-N 3.43Å; M221-N225 WeakPolarHBondContact O-CB 3.49Å; M221-N225 PolarHBondContact O-N 2.89Å; M221-V238 HydrophobicContact CB-CG1 4.28Å; M221-V238 HydrophobicContact CG-CG1 4.31Å; M221-F240 HydrophobicContact CE-CE2 4.01Å; M221-F240 HydrophobicContact SD-CD2 3.49Å; M221-F240 WeakPolarHBondContact SD-CD2 3.39Å; M221-F240 HydrophobicContact SD-CE2 3.46Å; M221-F240 WeakPolarHBondContact SD-CE2 3.32Å; M221-F240 HydrophobicContact SD-CG 4.42Å; M221-F240 HydrophobicContact SD-CZ 4.36Å
222	L	90.6	Very high	88.2	Confident	40 Å²	40	37.4 Å²	37.4	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-34.7	-179.3	-69.4	178.8	0	0	0	112.9	L71 I74 P75 I149 F218 V219	L71-L222 HydrophobicContact CD2-CD2 4.32Å; I74-L222 HydrophobicContact CG2-CD1 4.48Å; P75-L222 HydrophobicContact CG-CD1 3.72Å; I149-L222 HydrophobicContact CG2-CD2 4.12Å; F218-L222 HydrophobicContact CD2-CD1 4.17Å; F218-L222 HydrophobicContact CD2-CG 4.02Å; F218-L222 HydrophobicContact CE2-CD1 4Å; F218-L222 HydrophobicContact CE2-CD2 4.06Å; F218-L222 HydrophobicContact CE2-CG 3.97Å; F218-L222 WeakPolarHBondContact O-CG 3.38Å; F218-L222 PolarHBondContact O-N 2.68Å; V219-L222 PolarHBondContact O-N 3.08Å
223	H	90.1	Very high	87.5	Confident	43 Å²	43	36 Å²	36	20%	0.199	20%	0.2	C	C	.	.	H	α-helix	trans	-89.1	-32.7	-176.9	-69.9	74.3	0	0	0	113.9	Y190 V219 A220 M221 Q227	Y190-H223 HydrophobicContact CD1-CB 4.38Å; Y190-H223 HydrophobicContact CE1-CB 3.49Å; Y190-H223 VanDerWaalsContact CE1-CB 3.49Å; Y190-H223 AromaticContact CE1-CG 3.69Å; V219-H223 PolarHBondContact O-N 2.96Å; V219-H223 VanDerWaalsContact O-N 3.16Å; V219-H223 PolarHBondContact O-ND1 3.18Å; A220-H223 PolarHBondContact O-N 3.44Å; M221-H223 VanDerWaalsContact C-N 3.27Å; M221-H223 PolarHBondContact O-N 3.43Å; H223-Q227 WeakPolarHBondContact O-CG 3.2Å; H223-Q227 PolarHBondContact O-NE2 3.01Å
224	L	92.3	Very high	87.2	Confident	9 Å²	9	33.2 Å²	33.2	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-99.9	-18.7	-172.1	-64.9	175.8	0	0	0	114.5	I186 F187 Y190 A220 G226 Q227 L236 V238	I186-L224 HydrophobicContact CG2-CD1 3.87Å; I186-L224 HydrophobicContact CG2-CD2 3.62Å; I186-L224 HydrophobicContact CG2-CG 4.41Å; F187-L224 HydrophobicContact CD1-CD1 3.65Å; F187-L224 HydrophobicContact CD2-CD1 3.91Å; F187-L224 HydrophobicContact CE1-CD1 3.59Å; F187-L224 HydrophobicContact CE2-CD1 3.86Å; F187-L224 HydrophobicContact CG-CD1 3.81Å; F187-L224 HydrophobicContact CZ-CD1 3.69Å; Y190-L224 HydrophobicContact CD2-CD1 3.98Å; Y190-L224 HydrophobicContact CD2-CG 4.37Å; Y190-L224 HydrophobicContact CE2-CD1 3.66Å; Y190-L224 HydrophobicContact CE2-CD2 3.78Å; Y190-L224 HydrophobicContact CE2-CG 3.67Å; A220-L224 HydrophobicContact CB-CD1 4.43Å; A220-L224 VanDerWaalsContact O-CB 3.22Å; A220-L224 WeakPolarHBondContact O-CB 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.18Å; A220-L224 PolarHBondContact O-N 2.91Å; L224-G226 PolarHBondContact O-N 3.3Å; L224-Q227 WeakPolarHBondContact O-CB 3.48Å; L224-Q227 PolarHBondContact O-N 2.72Å; L224-Q227 VanDerWaalsContact O-N 3.1Å; L224-L236 HydrophobicContact CB-CD1 4.2Å; L224-L236 HydrophobicContact CD2-CD1 4.34Å; L224-L236 WeakPolarHBondContact O-CB 3.27Å; L224-V238 HydrophobicContact CB-CG2 4.01Å
225	N	90.1	Very high	87.2	Confident	80 Å²	80	31.9 Å²	31.9	43%	0.428	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	122.4	178.1	-170.6	32	0	0	0	110.8	M221 Q227 V238	M221-N225 WeakPolarHBondContact O-CB 3.49Å; M221-N225 PolarHBondContact O-N 2.89Å; N225-Q227 VanDerWaalsContact C-N 3.34Å; N225-V238 HydrophobicContact CB-CB 4.07Å; N225-V238 VanDerWaalsContact CG-O 3.24Å; N225-V238 PolarHBondContact OD1-N 2.92Å; N225-V238 PolarHBondContact OD1-O 3.16Å
226	G	87.2	Confident	87.2	Confident	58 Å²	58	31.3 Å²	31.3	60%	0.598	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	-1.2	-175	0	0	0	0	0	115.3	L224 L236	L224-G226 PolarHBondContact O-N 3.3Å; G226-L236 WeakPolarHBondContact CA-O 3.39Å; G226-L236 PolarHBondContact N-O 3.48Å
227	Q	88	Confident	87.2	Confident	83 Å²	83	34.4 Å²	34.4	39%	0.388	19%	0.19	S	C	.	.			trans	-81	163.6	176.3	-60.9	-58.7	-22.4	0	0	112.2	H223 L224 N225 S235 L236	H223-Q227 WeakPolarHBondContact O-CG 3.2Å; H223-Q227 PolarHBondContact O-NE2 3.01Å; L224-Q227 WeakPolarHBondContact O-CB 3.48Å; L224-Q227 PolarHBondContact O-N 2.72Å; L224-Q227 VanDerWaalsContact O-N 3.1Å; N225-Q227 VanDerWaalsContact C-N 3.34Å; Q227-S235 CarbonylContact O-C 3.51Å; Q227-L236 WeakPolarHBondContact O-CB 3.42Å; Q227-L236 PolarHBondContact O-N 2.91Å
228	N	85.7	Confident	87.2	Confident	32 Å²	32	34.5 Å²	34.5	17%	0.171	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.4	173.6	-60.6	-48.6	0	0	0	111.3	Y230 C233 S235	N228-Y230 WeakPolarHBondContact CB-O 3.16Å; N228-C233 WeakPolarHBondContact CB-O 3.38Å; N228-S235 WeakPolarHBondContact OD1-CB 3.47Å; N228-S235 PolarHBondContact OD1-OG 3.49Å
229	I	84.6	Confident	87.2	Confident	27 Å²	27	39.2 Å²	39.2	14%	0.138	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-41.2	168.5	-64.3	-179.4	0	0	0	110.3	V170 I178 I182 L183 I186 C234 L236	V170-I229 HydrophobicContact CG1-CD1 3.87Å; V170-I229 HydrophobicContact CG2-CD1 4.15Å; I178-I229 HydrophobicContact CD1-CD1 3.85Å; I178-I229 HydrophobicContact CD1-CG2 4.48Å; I178-I229 HydrophobicContact CG1-CD1 4.34Å; I178-I229 HydrophobicContact CG2-CD1 4.16Å; I182-I229 HydrophobicContact CG2-CD1 4.4Å; I182-I229 HydrophobicContact CG2-CG2 3.79Å; L183-I229 HydrophobicContact CD2-CD1 4.19Å; I186-I229 HydrophobicContact CD1-CB 4.19Å; I186-I229 HydrophobicContact CD1-CD1 4.33Å; I186-I229 HydrophobicContact CD1-CG1 3.79Å; I186-I229 HydrophobicContact CD1-CG2 3.88Å; I229-C234 HydrophobicContact CB-CB 3.75Å; I229-C234 HydrophobicContact CD1-CB 4.19Å; I229-C234 HydrophobicContact CG1-CB 4.2Å; I229-C234 WeakPolarHBondContact CG1-O 3.38Å; I229-C234 PolarHBondContact N-O 2.97Å; I229-L236 HydrophobicContact CD1-CD2 3.79Å; I229-L236 HydrophobicContact CG1-CD1 4.31Å; I229-L236 HydrophobicContact CG1-CD2 3.67Å; I229-L236 HydrophobicContact CG1-CG 3.96Å
230	Y	82.2	Confident	87	Confident	84 Å²	84	40.2 Å²	40.2	33%	0.329	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.5	-179.2	-59	-67.9	0	0	0	110.4	Q176 I178 I182 N228 G232 C233 C234	Q176-Y230 HydrophobicContact CB-CE2 4.1Å; Q176-Y230 HydrophobicContact CG-CD2 4.19Å; Q176-Y230 HydrophobicContact CG-CE2 4.16Å; I178-Y230 HydrophobicContact CD1-CE2 3.91Å; I182-Y230 WeakPolarHBondContact CD1-OH 3.49Å; N228-Y230 WeakPolarHBondContact CB-O 3.16Å; Y230-G232 PolarHBondContact O-N 2.97Å; Y230-C233 PolarHBondContact N-O 2.92Å; Y230-C233 PolarHBondContact O-N 3.38Å; Y230-C234 HydrophobicContact CD2-CB 3.95Å
231	T	75.6	Confident	86.7	Confident	97 Å²	97	40.3 Å²	40.3	60%	0.595	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	99.5	178.9	-53.8	0	0	0	0	112	Q604	T231-Q604 HydrophobicContact CG2-CB 4.39Å; T231-Q604 WeakPolarHBondContact CG2-O 3.25Å
232	G	69.2	Low	86.3	Confident	14 Å²	14	49 Å²	49	14%	0.144	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	2.7	179.7	0	0	0	0	0	117	N172 Y230	N172-G232 PolarHBondContact ND2-O 3.25Å; Y230-G232 PolarHBondContact O-N 2.97Å
233	C	76.4	Confident	85.6	Confident	11 Å²	11	52.7 Å²	52.7	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	173.9	177.8	79.8	0	0	0	0	114.5	M174 N228 Y230	M174-C233 HydrophobicContact CB-CB 4.32Å; M174-C233 HydrophobicContact CG-CB 4.03Å; M174-C233 HydrophobicContact SD-CB 3.41Å; M174-C233 WeakPolarHBondContact SD-CB 3.46Å; N228-C233 WeakPolarHBondContact CB-O 3.38Å; Y230-C233 PolarHBondContact N-O 2.92Å; Y230-C233 PolarHBondContact O-N 3.38Å
234	C	82.3	Confident	84.6	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.8	59.8	-176.5	-63	0	0	0	0	112	V170 D171 N172 I178 I229 Y230	V170-C234 HydrophobicContact CG1-CB 3.67Å; D171-C234 CarbonylContact O-C 3.59Å; D171-C234 WeakPolarHBondContact O-CA 3.4Å; N172-C234 PolarHBondContact O-N 3.16Å; I178-C234 HydrophobicContact CD1-CB 4.36Å; I229-C234 HydrophobicContact CB-CB 3.75Å; I229-C234 HydrophobicContact CD1-CB 4.19Å; I229-C234 HydrophobicContact CG1-CB 4.2Å; I229-C234 WeakPolarHBondContact CG1-O 3.38Å; I229-C234 PolarHBondContact N-O 2.97Å; Y230-C234 HydrophobicContact CD2-CB 3.95Å
235	S	87.5	Confident	83.5	Confident	35 Å²	35	58.8 Å²	58.8	25%	0.245	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.8	-176.6	-53.5	0	0	0	0	111.4	V170 D171 Q227 N228	V170-S235 WeakPolarHBondContact CA-O 3.4Å; D171-S235 PolarHBondContact N-O 3.39Å; D171-S235 PolarHBondContact O-N 2.94Å; Q227-S235 CarbonylContact O-C 3.51Å; N228-S235 WeakPolarHBondContact OD1-CB 3.47Å; N228-S235 PolarHBondContact OD1-OG 3.49Å
236	L	92.6	Very high	82.7	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122	-179.9	-61.7	177.4	0	0	0	110.9	V168 V170 I186 F187 L224 G226 Q227 I229 V238	V168-L236 HydrophobicContact CG1-CD2 3.84Å; V170-L236 HydrophobicContact CG2-CD2 4.02Å; I186-L236 HydrophobicContact CG2-CD1 4.46Å; F187-L236 HydrophobicContact CE2-CD1 4.45Å; L224-L236 HydrophobicContact CB-CD1 4.2Å; L224-L236 HydrophobicContact CD2-CD1 4.34Å; L224-L236 WeakPolarHBondContact O-CB 3.27Å; G226-L236 WeakPolarHBondContact CA-O 3.39Å; G226-L236 PolarHBondContact N-O 3.48Å; Q227-L236 WeakPolarHBondContact O-CB 3.42Å; Q227-L236 PolarHBondContact O-N 2.91Å; I229-L236 HydrophobicContact CD1-CD2 3.79Å; I229-L236 HydrophobicContact CG1-CD1 4.31Å; I229-L236 HydrophobicContact CG1-CD2 3.67Å; I229-L236 HydrophobicContact CG1-CG 3.96Å; L236-V238 HydrophobicContact CB-CG2 4Å
237	R	93	Very high	82.6	Confident	93 Å²	93	57.6 Å²	57.6	35%	0.351	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.9	154.7	-72.8	-175.3	-72.7	140.6	-2.6	108.2	V168 V169 D171	V168-R237 CarbonylContact C-O 3.59Å; V168-R237 WeakPolarHBondContact CA-O 3.49Å; V169-R237 HydrophobicContact CB-CB 4.37Å; V169-R237 PolarHBondContact N-O 2.88Å; V169-R237 PolarHBondContact O-N 2.94Å; D171-R237 IonicContact OD1-CZ 3.3Å; D171-R237 IonicContact OD1-NE 2.77Å; D171-R237 IonicContact OD1-NH2 3.12Å; D171-R237 PolarHBondContact OD1-NH2 2.74Å; D171-R237 IonicContact OD2-CZ 2.75Å; D171-R237 VanDerWaalsContact OD2-CZ 3.3Å; D171-R237 IonicContact OD2-NE 2.66Å; D171-R237 PolarHBondContact OD2-NE 3.45Å; D171-R237 IonicContact OD2-NH2 3.72Å; D171-R237 PolarHBondContact OD2-NH2 3.44Å; D171-R237 VanDerWaalsContact OD2-NH2 3.12Å
238	V	93.1	Very high	82.1	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.9	-176.5	-171.7	0	0	0	0	108.7	L166 F187 M221 L224 N225 L236	L166-V238 HydrophobicContact CB-CG1 4.17Å; L166-V238 HydrophobicContact CD1-CG1 3.66Å; L166-V238 HydrophobicContact CG-CG1 4.35Å; F187-V238 HydrophobicContact CE1-CG1 4.12Å; F187-V238 HydrophobicContact CE1-CG2 4.41Å; F187-V238 HydrophobicContact CZ-CG1 4.46Å; F187-V238 HydrophobicContact CZ-CG2 3.98Å; M221-V238 HydrophobicContact CB-CG1 4.28Å; M221-V238 HydrophobicContact CG-CG1 4.31Å; L224-V238 HydrophobicContact CB-CG2 4.01Å; N225-V238 HydrophobicContact CB-CB 4.07Å; N225-V238 VanDerWaalsContact CG-O 3.24Å; N225-V238 PolarHBondContact OD1-N 2.92Å; N225-V238 PolarHBondContact OD1-O 3.16Å; L236-V238 HydrophobicContact CB-CG2 4Å
239	Q	90.7	Very high	81.7	Confident	105 Å²	105	59.8 Å²	59.8	49%	0.491	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.8	-179.8	-68	176.9	-19	0	0	109.1	L166 R167	L166-Q239 CarbonylContact C-O 3.5Å; L166-Q239 WeakPolarHBondContact CA-O 3.36Å; R167-Q239 PolarHBondContact N-O 3.25Å; R167-Q239 PolarHBondContact O-N 2.96Å
240	F	89.2	Confident	81.3	Confident	22 Å²	22	69 Å²	69	10%	0.096	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.6	169.1	-74.7	-71.4	0	0	0	111.7	D153 T163 L166 A217 F218 M221 K242	D153-F240 HydrophobicContact CB-CD2 4.27Å; D153-F240 HydrophobicContact CB-CE2 4.2Å; D153-F240 WeakPolarHBondContact O-CD2 3.39Å; D153-F240 VanDerWaalsContact O-CE2 3.31Å; D153-F240 WeakPolarHBondContact O-CE2 3.48Å; T163-F240 HydrophobicContact CG2-CB 3.79Å; T163-F240 HydrophobicContact CG2-CD1 3.61Å; T163-F240 HydrophobicContact CG2-CE1 4.46Å; T163-F240 HydrophobicContact CG2-CG 3.99Å; T163-F240 WeakPolarHBondContact O-CE1 3.32Å; L166-F240 HydrophobicContact CD2-CD1 3.56Å; L166-F240 HydrophobicContact CD2-CE1 3.8Å; L166-F240 HydrophobicContact CD2-CG 4.17Å; A217-F240 HydrophobicContact CB-CE1 3.98Å; F218-F240 HydrophobicContact CB-CZ 3.82Å; F218-F240 HydrophobicContact CD2-CE2 4.02Å; F218-F240 AromaticContact CD2-CZ 3.99Å; F218-F240 HydrophobicContact CD2-CZ 3.99Å; F218-F240 HydrophobicContact CG-CE2 4.46Å; F218-F240 HydrophobicContact CG-CZ 4.02Å; M221-F240 HydrophobicContact CE-CE2 4.01Å; M221-F240 HydrophobicContact SD-CD2 3.49Å; M221-F240 WeakPolarHBondContact SD-CD2 3.39Å; M221-F240 HydrophobicContact SD-CE2 3.46Å; M221-F240 WeakPolarHBondContact SD-CE2 3.32Å; M221-F240 HydrophobicContact SD-CG 4.42Å; M221-F240 HydrophobicContact SD-CZ 4.36Å; F240-K242 PolarHBondContact O-N 3.36Å
241	S	89.2	Confident	81	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.021	36%	0.359	C	S	.	.			trans	-66.5	132.1	177.7	-176	0	0	0	0	111.1	V165 N243 R244	V165-S241 WeakPolarHBondContact O-CB 3.32Å; V165-S241 PolarHBondContact O-N 3.26Å; S241-N243 PolarHBondContact O-N 3.38Å; S241-N243 PolarHBondContact OG-N 3.06Å; S241-R244 PolarHBondContact O-NH1 3.01Å
242	K	83.1	Confident	81.2	Confident	189 Å²	189	71.9 Å²	71.9	82%	0.822	35%	0.349	S	S	*	.	S	Bend	trans	-66.8	-27	169.6	-65.6	-172	178.8	-175	0	111.7	F240	F240-K242 PolarHBondContact O-N 3.36Å
243	N	76.2	Confident	81.8	Confident	117 Å²	117	73.8 Å²	73.8	63%	0.626	36%	0.361	S	S	*	.	S	Bend	trans	-73	129	177.9	-61.9	11	0	0	0	109.1	S241	S241-N243 PolarHBondContact O-N 3.38Å; S241-N243 PolarHBondContact OG-N 3.06Å
244	R	69.3	Low	81.8	Confident	135 Å²	135	79.6 Å²	79.6	51%	0.509	39%	0.391	S	S	.	.			trans	-97.5	130.1	174.9	-57.5	-60.2	-172.3	-120.6	-3	109.4	S155 S241	S155-R244 PolarHBondContact O-NH1 3.35Å; S155-R244 VanDerWaalsContact O-NH1 3.16Å; S155-R244 PolarHBondContact O-NH2 3.12Å; S155-R244 PolarHBondContact OG-NH1 3.15Å; S155-R244 VanDerWaalsContact OG-NH1 3.17Å; S241-R244 PolarHBondContact O-NH1 3.01Å
245	G	68.4	Low	81.8	Confident	46 Å²	46	85.9 Å²	85.9	47%	0.474	42%	0.415	S	S	.	.	S	Bend	trans	130	165	-178.6	0	0	0	0	0	112.3
246	P	74.4	Confident	81.7	Confident	94 Å²	94	85.2 Å²	85.2	61%	0.61	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-63.5	158.1	171.9	29.8	-35.4	0	0	0	110.8	E210	E210-P246 WeakPolarHBondContact OE1-CA 3.27Å; E210-P246 WeakPolarHBondContact OE1-CB 3.39Å
247	L	83.7	Confident	81.5	Confident	18 Å²	18	86.1 Å²	86.1	9%	0.094	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-79.8	128.4	177.9	-174.6	58	0	0	0	110	R195 V197 L208 E210	R195-L247 HydrophobicContact CB-CB 4.24Å; R195-L247 HydrophobicContact CB-CD2 3.97Å; R195-L247 HydrophobicContact CB-CG 4.36Å; R195-L247 WeakPolarHBondContact CD-O 3.38Å; R195-L247 PolarHBondContact NE-O 3.2Å; V197-L247 HydrophobicContact CB-CD1 4.3Å; V197-L247 HydrophobicContact CB-CD2 4.07Å; V197-L247 HydrophobicContact CB-CG 4.45Å; V197-L247 HydrophobicContact CG2-CD1 4.04Å; V197-L247 HydrophobicContact CG2-CD2 3.83Å; V197-L247 HydrophobicContact CG2-CG 3.88Å; L208-L247 HydrophobicContact CB-CD1 3.77Å; L208-L247 HydrophobicContact CB-CD2 3.79Å; L208-L247 HydrophobicContact CB-CG 4.47Å; L208-L247 HydrophobicContact CD1-CD1 3.64Å; L208-L247 HydrophobicContact CG-CD1 4.35Å; L208-L247 WeakPolarHBondContact O-CD2 3.23Å; E210-L247 HydrophobicContact CB-CB 4.03Å; E210-L247 HydrophobicContact CB-CD2 4.4Å; E210-L247 WeakPolarHBondContact OE2-CB 3.3Å; E210-L247 PolarHBondContact OE2-N 3.01Å
248	E	77.4	Confident	81.3	Confident	131 Å²	131	82.1 Å²	82.1	61%	0.612	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-89.3	118.4	173.2	-71	-176.2	177.8	0	0	111	R250	E248-R250 IonicContact OE2-CZ 3.67Å; E248-R250 IonicContact OE2-NE 3.8Å; E248-R250 PolarHBondContact OE2-NE 2.91Å; E248-R250 IonicContact OE2-NH2 2.79Å; E248-R250 PolarHBondContact OE2-NH2 2.8Å
249	V	78.9	Confident	81	Confident	30 Å²	30	83 Å²	83	18%	0.182	40%	0.402	C	S	.	.			trans	-100.5	104.7	166.6	177.3	0	0	0	0	107.9	R195 V197 C256 D258	R195-V249 HydrophobicContact CB-CG2 4.11Å; R195-V249 HydrophobicContact CG-CG2 4.35Å; V197-V249 HydrophobicContact CG2-CG2 3.75Å; V249-C256 HydrophobicContact CG1-CB 4.13Å; V249-D258 HydrophobicContact CB-CB 4.06Å; V249-D258 HydrophobicContact CG1-CB 4.31Å; V249-D258 HydrophobicContact CG2-CB 4.19Å
250	R	76	Confident	80.8	Confident	220 Å²	220	82 Å²	82	83%	0.83	40%	0.4	S	S	*	.			trans	-82.5	-24.4	-177.2	-64.5	-179	-177.2	161.3	2.5	113.9	E248	E248-R250 IonicContact OE2-CZ 3.67Å; E248-R250 IonicContact OE2-NE 3.8Å; E248-R250 PolarHBondContact OE2-NE 2.91Å; E248-R250 IonicContact OE2-NH2 2.79Å; E248-R250 PolarHBondContact OE2-NH2 2.8Å
251	Q	74.2	Confident	80.5	Confident	158 Å²	158	87.1 Å²	87.1	74%	0.738	43%	0.428	S	S	*	.	S	Bend	trans	-155.5	136.4	-179.9	-173.7	173.4	44.5	0	0	108.8
252	E	80	Confident	80.2	Confident	84 Å²	84	89.9 Å²	89.9	39%	0.393	44%	0.442	S	S	.	.			trans	-77	143.6	173.5	-57.5	-154.9	144.7	0	0	111.5	C256 D258 N262	E252-C256 CarbonylContact C-O 3.56Å; E252-C256 VanDerWaalsContact CA-O 3.31Å; E252-C256 WeakPolarHBondContact CA-O 3.31Å; E252-D258 PolarHBondContact OE1-N 3.31Å; E252-N262 WeakPolarHBondContact OE1-CB 3.29Å; E252-N262 PolarHBondContact OE2-ND2 3.09Å
253	S	82.2	Confident	80	Confident	55 Å²	55	84.7 Å²	84.7	39%	0.385	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-167.2	172.3	-178.9	57.7	0	0	0	0	110.5	H180 R255 C256	H180-S253 PolarHBondContact CD2-O 3.29Å; S253-R255 PolarHBondContact O-N 3.29Å; S253-R255 PolarHBondContact OG-N 3.44Å; S253-C256 PolarHBondContact N-O 2.83Å; S253-C256 CarbonylContact O-C 3.49Å; S253-C256 PolarHBondContact O-N 3.31Å; S253-C256 PolarHBondContact OG-N 3.43Å
254	D	77.1	Confident	79.9	Confident	132 Å²	132	80.2 Å²	80.2	71%	0.706	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-10.8	171.6	-55.9	-46.4	0	0	0	114.4	N179 H180	N179-D254 WeakPolarHBondContact CA-O 3.47Å; N179-D254 WeakPolarHBondContact CB-O 3.49Å; H180-D254 PolarHBondContact CD2-O 3.42Å; H180-D254 PolarHBondContact N-O 3.19Å; H180-D254 VanDerWaalsContact N-O 3.14Å
255	R	81.8	Confident	80.3	Confident	132 Å²	132	77.3 Å²	77.3	50%	0.498	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-24.4	176	-64.8	-175.7	-177.1	149.8	4	114.1	V197 T198 S253	V197-R255 CarbonylContact C-O 3.58Å; T198-R255 PolarHBondContact N-O 3.09Å; T198-R255 WeakPolarHBondContact O-CB 3.38Å; T198-R255 WeakPolarHBondContact OG1-CA 3.47Å; T198-R255 WeakPolarHBondContact OG1-CB 3.47Å; T198-R255 PolarHBondContact OG1-O 3.07Å; S253-R255 PolarHBondContact O-N 3.29Å; S253-R255 PolarHBondContact OG-N 3.44Å
256	C	85.7	Confident	80.5	Confident	22 Å²	22	82 Å²	82	15%	0.149	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128	-172.1	-50	0	0	0	0	111.4	I196 V197 V249 E252 S253	I196-C256 CarbonylContact O-C 3.52Å; I196-C256 VanDerWaalsContact O-CA 3.27Å; I196-C256 WeakPolarHBondContact O-CA 3.49Å; V197-C256 HydrophobicContact CG2-CB 4.29Å; V249-C256 HydrophobicContact CG1-CB 4.13Å; E252-C256 CarbonylContact C-O 3.56Å; E252-C256 VanDerWaalsContact CA-O 3.31Å; E252-C256 WeakPolarHBondContact CA-O 3.31Å; S253-C256 PolarHBondContact N-O 2.83Å; S253-C256 CarbonylContact O-C 3.49Å; S253-C256 PolarHBondContact O-N 3.31Å; S253-C256 PolarHBondContact OG-N 3.43Å
257	R	87.7	Confident	80.5	Confident	22 Å²	22	85.2 Å²	85.2	8%	0.083	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.3	173.1	-171.9	166.1	173.6	-175.9	-3.8	110.4	I196 Y259 N262 P263 E268	I196-R257 PolarHBondContact N-O 3.06Å; I196-R257 VanDerWaalsContact N-O 3.09Å; I196-R257 PolarHBondContact O-N 3.24Å; R257-Y259 HydrophobicContact CB-CE1 4.48Å; R257-Y259 HydrophobicContact CB-CE2 4.25Å; R257-Y259 HydrophobicContact CG-CD1 4.23Å; R257-Y259 HydrophobicContact CG-CE1 4.02Å; R257-N262 PolarHBondContact NE-O 2.87Å; R257-N262 VanDerWaalsContact NE-O 3.07Å; R257-N262 PolarHBondContact NH2-O 3.44Å; R257-N262 PolarHBondContact NH2-OD1 3.24Å; R257-P263 PolarHBondContact NH2-O 3.44Å; R257-P263 VanDerWaalsContact NH2-O 3.08Å; R257-E268 IonicContact CZ-OE1 3.72Å; R257-E268 IonicContact CZ-OE2 2.85Å; R257-E268 IonicContact NH1-OE1 3.53Å; R257-E268 PolarHBondContact NH1-OE1 3.05Å; R257-E268 IonicContact NH1-OE2 3.22Å; R257-E268 PolarHBondContact NH1-OE2 3.19Å; R257-E268 IonicContact NH2-OE1 3.01Å; R257-E268 IonicContact NH2-OE2 3.5Å; R257-E268 PolarHBondContact NH2-OE2 3.15Å
258	D	89.2	Confident	80	Confident	8 Å²	8	86.9 Å²	86.9	4%	0.043	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.9	170.8	-170.4	-26.9	0	0	0	108.6	R195 V249 E252 L260 N261 N262	R195-D258 HydrophobicContact CG-CB 4.31Å; R195-D258 IonicContact CZ-OD2 2.87Å; R195-D258 VanDerWaalsContact NE-CG 3.35Å; R195-D258 IonicContact NE-OD1 3.31Å; R195-D258 IonicContact NE-OD2 3.16Å; R195-D258 PolarHBondContact NE-OD2 2.78Å; R195-D258 IonicContact NH2-OD2 3.55Å; V249-D258 HydrophobicContact CB-CB 4.06Å; V249-D258 HydrophobicContact CG1-CB 4.31Å; V249-D258 HydrophobicContact CG2-CB 4.19Å; E252-D258 PolarHBondContact OE1-N 3.31Å; D258-L260 PolarHBondContact O-N 2.93Å; D258-L260 VanDerWaalsContact OD1-CB 3.31Å; D258-L260 WeakPolarHBondContact OD1-CB 3.41Å; D258-L260 PolarHBondContact OD1-N 2.73Å; D258-N261 HydrophobicContact CB-CB 4.32Å; D258-N261 PolarHBondContact O-N 3.09Å; D258-N261 PolarHBondContact OD2-ND2 2.96Å; D258-N261 VanDerWaalsContact OD2-ND2 3.14Å; D258-N262 PolarHBondContact O-N 2.85Å
259	Y	87.8	Confident	79.7	Confident	19 Å²	19	83.4 Å²	83.4	8%	0.075	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.6	-177.1	-62.7	-79	0	0	0	113.6	H180 H184 I193 L194 I196 R257 L264	H180-Y259 PolarHBondContact CE1-OH 3.42Å; H180-Y259 AromaticContact ND1-CZ 3.81Å; H180-Y259 PolarHBondContact ND1-OH 2.79Å; H184-Y259 WeakPolarHBondContact CB-OH 3.31Å; H184-Y259 AromaticContact CD2-CE1 3.82Å; H184-Y259 AromaticContact CD2-CE2 3.52Å; H184-Y259 AromaticContact CD2-CZ 3.37Å; H184-Y259 AromaticContact CG-CZ 3.88Å; I193-Y259 HydrophobicContact CG2-CD2 4.03Å; I193-Y259 HydrophobicContact CG2-CE2 4.33Å; L194-Y259 WeakPolarHBondContact O-CA 3.45Å; L194-Y259 WeakPolarHBondContact O-CB 3.23Å; L194-Y259 PolarHBondContact O-N 3.43Å; I196-Y259 HydrophobicContact CB-CE2 4.34Å; I196-Y259 HydrophobicContact CD1-CE2 3.96Å; I196-Y259 HydrophobicContact CG1-CE2 3.96Å; R257-Y259 HydrophobicContact CB-CE1 4.48Å; R257-Y259 HydrophobicContact CB-CE2 4.25Å; R257-Y259 HydrophobicContact CG-CD1 4.23Å; R257-Y259 HydrophobicContact CG-CE1 4.02Å; Y259-L264 HydrophobicContact CD1-CD2 4.29Å; Y259-L264 HydrophobicContact CD1-CG 3.98Å; Y259-L264 HydrophobicContact CE1-CD1 4.48Å; Y259-L264 HydrophobicContact CE1-CD2 3.7Å; Y259-L264 HydrophobicContact CE1-CG 3.88Å
260	L	84.7	Confident	79.1	Confident	85 Å²	85	87.7 Å²	87.7	45%	0.445	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-40	165.4	-71.3	160.2	0	0	0	111.2	L194 D258	L194-L260 HydrophobicContact CB-CD1 4.12Å; L194-L260 HydrophobicContact CB-CG 4.42Å; L194-L260 HydrophobicContact CD1-CD1 4.29Å; L194-L260 HydrophobicContact CD2-CD1 4.22Å; L194-L260 HydrophobicContact CD2-CD2 4.06Å; L194-L260 HydrophobicContact CD2-CG 4.13Å; L194-L260 HydrophobicContact CG-CD1 4.44Å; D258-L260 PolarHBondContact O-N 2.93Å; D258-L260 VanDerWaalsContact OD1-CB 3.31Å; D258-L260 WeakPolarHBondContact OD1-CB 3.41Å; D258-L260 PolarHBondContact OD1-N 2.73Å
261	N	83.2	Confident	78.6	Confident	130 Å²	130	80.6 Å²	80.6	70%	0.695	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-39.6	-178.2	-64.3	-32.6	0	0	0	112.3	D258 P263	D258-N261 HydrophobicContact CB-CB 4.32Å; D258-N261 PolarHBondContact O-N 3.09Å; D258-N261 PolarHBondContact OD2-ND2 2.96Å; D258-N261 VanDerWaalsContact OD2-ND2 3.14Å; N261-P263 WeakPolarHBondContact O-CD 3.27Å
262	N	82.9	Confident	78	Confident	60 Å²	60	74.8 Å²	74.8	32%	0.321	39%	0.388	S	S	.	.	S	Bend	trans	-123.7	73.6	178.4	-173.5	-3.3	0	0	0	110	E252 R257 D258	E252-N262 WeakPolarHBondContact OE1-CB 3.29Å; E252-N262 PolarHBondContact OE2-ND2 3.09Å; R257-N262 PolarHBondContact NE-O 2.87Å; R257-N262 VanDerWaalsContact NE-O 3.07Å; R257-N262 PolarHBondContact NH2-O 3.44Å; R257-N262 PolarHBondContact NH2-OD1 3.24Å; D258-N262 PolarHBondContact O-N 2.85Å
263	P	79.4	Confident	76.7	Confident	80 Å²	80	80.2 Å²	80.2	52%	0.519	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-58.5	158	176.2	26.8	-35.3	0	0	0	111.2	R257 N261	R257-P263 PolarHBondContact NH2-O 3.44Å; R257-P263 VanDerWaalsContact NH2-O 3.08Å; N261-P263 WeakPolarHBondContact O-CD 3.27Å
264	L	74.3	Confident	75.1	Confident	24 Å²	24	83.6 Å²	83.6	13%	0.126	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-63.2	141.7	177	-68.9	163.2	0	0	0	111.2	H184 Y259 E268 L269 L272	H184-L264 WeakPolarHBondContact CE1-CD1 3.16Å; Y259-L264 HydrophobicContact CD1-CD2 4.29Å; Y259-L264 HydrophobicContact CD1-CG 3.98Å; Y259-L264 HydrophobicContact CE1-CD1 4.48Å; Y259-L264 HydrophobicContact CE1-CD2 3.7Å; Y259-L264 HydrophobicContact CE1-CG 3.88Å; L264-E268 VanDerWaalsContact CA-OE2 3.31Å; L264-E268 WeakPolarHBondContact CA-OE2 3.31Å; L264-E268 HydrophobicContact CB-CB 4.06Å; L264-E268 HydrophobicContact CD2-CB 3.85Å; L264-E268 HydrophobicContact CD2-CG 4.29Å; L264-E268 WeakPolarHBondContact CD2-OE2 3.18Å; L264-L269 HydrophobicContact CB-CD1 4.22Å; L264-L269 HydrophobicContact CB-CG 3.91Å; L264-L269 HydrophobicContact CD1-CD2 4.47Å; L264-L269 HydrophobicContact CD1-CG 4.46Å; L264-L272 HydrophobicContact CD1-CD1 3.35Å; L264-L272 HydrophobicContact CD2-CD1 4.47Å; L264-L272 HydrophobicContact CG-CD1 4.48Å
265	T	77.2	Confident	72.7	Confident	74 Å²	74	83.5 Å²	83.5	45%	0.454	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-65.7	160.4	170.2	73.3	0	0	0	0	110.5	E267 E268 L269	T265-E267 PolarHBondContact O-N 3.03Å; T265-E268 PolarHBondContact N-OE2 3.23Å; T265-E268 PolarHBondContact O-N 2.92Å; T265-E268 VanDerWaalsContact O-N 3.15Å; T265-E268 WeakPolarHBondContact OG1-CG 3.37Å; T265-E268 PolarHBondContact OG1-N 2.76Å; T265-E268 VanDerWaalsContact OG1-N 3.17Å; T265-L269 WeakPolarHBondContact O-CB 3.47Å; T265-L269 PolarHBondContact O-N 3Å
266	E	72.5	Confident	70.4	Confident	145 Å²	145	83.2 Å²	83.2	68%	0.678	43%	0.429	S	S	*	.	H	α-helix	trans	-60.9	-34.3	178.4	-166	173	-173.8	0	0	112	L269 M270	E266-L269 WeakPolarHBondContact O-CB 3.24Å; E266-L269 PolarHBondContact O-N 3.19Å; E266-M270 HydrophobicContact CG-CE 4.11Å; E266-M270 WeakPolarHBondContact O-CG 3.38Å; E266-M270 PolarHBondContact O-N 2.81Å
267	E	74.7	Confident	67.6	Low	161 Å²	161	87.7 Å²	87.7	75%	0.752	47%	0.468	S	S	*	.	H	α-helix	trans	-65.6	-44.5	173.5	-172.3	176.6	-166.6	0	0	112.3	T265 L269 M270 S271	T265-E267 PolarHBondContact O-N 3.03Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.38Å; E267-M270 PolarHBondContact O-N 3.05Å; E267-S271 PolarHBondContact O-N 2.77Å
268	E	74	Confident	64.8	Low	52 Å²	52	89.6 Å²	89.6	24%	0.243	49%	0.493	C	S	.	.	H	α-helix	trans	-59.7	-43.9	172.8	-70.9	179.7	115.6	0	0	110.9	R257 L264 T265 S271 L272	R257-E268 IonicContact CZ-OE1 3.72Å; R257-E268 IonicContact CZ-OE2 2.85Å; R257-E268 IonicContact NH1-OE1 3.53Å; R257-E268 PolarHBondContact NH1-OE1 3.05Å; R257-E268 IonicContact NH1-OE2 3.22Å; R257-E268 PolarHBondContact NH1-OE2 3.19Å; R257-E268 IonicContact NH2-OE1 3.01Å; R257-E268 IonicContact NH2-OE2 3.5Å; R257-E268 PolarHBondContact NH2-OE2 3.15Å; L264-E268 VanDerWaalsContact CA-OE2 3.31Å; L264-E268 WeakPolarHBondContact CA-OE2 3.31Å; L264-E268 HydrophobicContact CB-CB 4.06Å; L264-E268 HydrophobicContact CD2-CB 3.85Å; L264-E268 HydrophobicContact CD2-CG 4.29Å; L264-E268 WeakPolarHBondContact CD2-OE2 3.18Å; T265-E268 PolarHBondContact N-OE2 3.23Å; T265-E268 PolarHBondContact O-N 2.92Å; T265-E268 VanDerWaalsContact O-N 3.15Å; T265-E268 WeakPolarHBondContact OG1-CG 3.37Å; T265-E268 PolarHBondContact OG1-N 2.76Å; T265-E268 VanDerWaalsContact OG1-N 3.17Å; E268-S271 WeakPolarHBondContact O-CB 3.42Å; E268-S271 PolarHBondContact O-N 3Å; E268-S271 PolarHBondContact O-OG 3.26Å; E268-L272 WeakPolarHBondContact O-CD1 3.41Å; E268-L272 WeakPolarHBondContact O-CG 3.44Å; E268-L272 PolarHBondContact O-N 3.2Å
269	L	69.5	Low	61.9	Low	59 Å²	59	94.4 Å²	94.4	31%	0.309	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-38.3	176.6	-84.3	155.5	0	0	0	113.4	L264 T265 E266 E267 L272 R273	L264-L269 HydrophobicContact CB-CD1 4.22Å; L264-L269 HydrophobicContact CB-CG 3.91Å; L264-L269 HydrophobicContact CD1-CD2 4.47Å; L264-L269 HydrophobicContact CD1-CG 4.46Å; T265-L269 WeakPolarHBondContact O-CB 3.47Å; T265-L269 PolarHBondContact O-N 3Å; E266-L269 WeakPolarHBondContact O-CB 3.24Å; E266-L269 PolarHBondContact O-N 3.19Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.38Å; L269-L272 WeakPolarHBondContact O-CB 3.5Å; L269-L272 PolarHBondContact O-N 3.47Å; L269-R273 PolarHBondContact O-N 2.84Å
270	M	67.6	Low	59.3	Low	120 Å²	120	101.6 Å²	101.6	59%	0.591	56%	0.562	S	S	*	*	H	α-helix	trans	-64.9	-42.3	172.2	-74.3	-175.3	-175.6	0	0	110.8	E266 E267 L272 R273	E266-M270 HydrophobicContact CG-CE 4.11Å; E266-M270 WeakPolarHBondContact O-CG 3.38Å; E266-M270 PolarHBondContact O-N 2.81Å; E267-M270 PolarHBondContact O-N 3.05Å; M270-L272 PolarHBondContact O-N 3.47Å; M270-L272 VanDerWaalsContact O-N 3.16Å; M270-R273 PolarHBondContact O-N 2.81Å; M270-R273 VanDerWaalsContact O-N 3.15Å
271	S	65.9	Low	56.7	Low	71 Å²	71	108.8 Å²	108.8	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-64	-18.4	176.4	89.2	0	0	0	0	114.4	E267 E268	E267-S271 PolarHBondContact O-N 2.77Å; E268-S271 WeakPolarHBondContact O-CB 3.42Å; E268-S271 PolarHBondContact O-N 3Å; E268-S271 PolarHBondContact O-OG 3.26Å
272	L	60.7	Low	54.5	Low	35 Å²	35	112 Å²	112	18%	0.183	59%	0.594	C	S	.	*	H	α-helix	trans	-87.4	-24.1	177.8	-81.9	156	0	0	0	113.2	K185 L264 E268 L269 M270	K185-L272 HydrophobicContact CB-CD2 4.07Å; K185-L272 HydrophobicContact CG-CD2 3.46Å; K185-L272 VanDerWaalsContact CG-CD2 3.46Å; K185-L272 HydrophobicContact CG-CG 4.29Å; L264-L272 HydrophobicContact CD1-CD1 3.35Å; L264-L272 HydrophobicContact CD2-CD1 4.47Å; L264-L272 HydrophobicContact CG-CD1 4.48Å; E268-L272 WeakPolarHBondContact O-CD1 3.41Å; E268-L272 WeakPolarHBondContact O-CG 3.44Å; E268-L272 PolarHBondContact O-N 3.2Å; L269-L272 WeakPolarHBondContact O-CB 3.5Å; L269-L272 PolarHBondContact O-N 3.47Å; M270-L272 PolarHBondContact O-N 3.47Å; M270-L272 VanDerWaalsContact O-N 3.16Å
273	R	53.2	Low	52.3	Low	199 Å²	199	117.6 Å²	117.6	75%	0.751	62%	0.618	S	S	*	*	S	Bend	trans	-79.1	121.7	175.8	-72.9	178.8	173.1	166.6	0.1	108.9	L269 M270	L269-R273 PolarHBondContact O-N 2.84Å; M270-R273 PolarHBondContact O-N 2.81Å; M270-R273 VanDerWaalsContact O-N 3.15Å
274	R	47.8	Very low	50.2	Low	126 Å²	126	120.6 Å²	120.6	48%	0.475	63%	0.629	S	S	.	*			trans	-53.7	138.6	175.1	-87.1	-171.9	-78	-172.8	-0.3	109.9	T276	R274-T276 PolarHBondContact O-N 2.69Å
275	P	27.7	Very low	48.4	Very low	130 Å²	130	125 Å²	125	84%	0.844	66%	0.662	S	S	*	*			trans	-57.6	109.2	162.6	-19.5	31.4	0	0	0	108.4	A277	P275-A277 PolarHBondContact O-N 2.91Å
276	T	32.1	Very low	46.4	Very low	125 Å²	125	128.7 Å²	128.7	77%	0.767	68%	0.679	S	S	*	*			trans	-67.9	117.1	168.6	45.3	0	0	0	0	107.4	R274 G278	R274-T276 PolarHBondContact O-N 2.69Å; T276-G278 VanDerWaalsContact C-N 3.3Å; T276-G278 PolarHBondContact O-N 2.91Å
277	A	27.6	Very low	45	Very low	117 Å²	117	127.2 Å²	127.2	97%	0.967	68%	0.682	S	S	*	*	S	Bend	trans	-64.9	90.7	174.9	0	0	0	0	0	109.8	P275	P275-A277 PolarHBondContact O-N 2.91Å
278	G	28.2	Very low	43.1	Very low	61 Å²	61	123.1 Å²	123.1	63%	0.629	68%	0.683	S	S	*	*			trans	177	106.7	-175	0	0	0	0	0	114.7	T276	T276-G278 VanDerWaalsContact C-N 3.3Å; T276-G278 PolarHBondContact O-N 2.91Å
279	S	29.5	Very low	41.2	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	71%	0.711	S	S	*	*			trans	84.1	155.1	161.6	-136.9	0	0	0	0	120.3
280	E	33.4	Very low	39.5	Very low	170 Å²	170	131.7 Å²	131.7	79%	0.794	73%	0.729	S	S	*	*			trans	76.3	90.7	168.3	-44.3	-65.4	91.7	0	0	117.6
281	R	28.7	Very low	37.7	Very low	237 Å²	237	130.5 Å²	130.5	89%	0.894	73%	0.732	S	S	*	*			trans	-69.4	137.4	156.5	-56.3	163.7	172.4	172.3	-4.8	108.2
282	H	37.9	Very low	36.3	Very low	196 Å²	196	132.2 Å²	132.2	91%	0.907	74%	0.744	S	S	*	*			trans	-157.7	139.5	139.6	-106.9	-71.9	0	0	0	114.4
283	H	35.9	Very low	34.7	Very low	178 Å²	178	136.9 Å²	136.9	82%	0.824	77%	0.769	S	S	*	*			trans	-40.6	140	-175.5	-97.3	12.1	0	0	0	122.9
284	N	35.3	Very low	33.6	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	77%	0.77	S	S	*	*				94.3	99.8	115.9	-166.3	42.4	0	0	0	121.1
285	S	37.2	Very low	32.6	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	78%	0.779	S	S	*	*				178.7	159.1	105.4	41.1	0	0	0	0	112.1
286	N	34.7	Very low	32.6	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	78%	0.776	S	S	*	*			trans	-125.1	-175.4	-162.6	-150.9	20.3	0	0	0	109.1
287	P	44	Very low	32.4	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	77%	0.773	S	S	*	*			cis	-128.9	174.2	-18.9	15	10.8	0	0	0	115.3
288	G	33.5	Very low	32.4	Very low	75 Å²	75	136.3 Å²	136.3	77%	0.773	76%	0.761	S	S	*	*			trans	-164.8	53.3	176.9	0	0	0	0	0	119.3
289	H	33.7	Very low	32.4	Very low	179 Å²	179	139.1 Å²	139.1	83%	0.829	77%	0.766	S	S	*	*			trans	71.5	112.6	151	-126.2	-116.1	0	0	0	122.7
290	V	34.7	Very low	32.3	Very low	112 Å²	112	138.2 Å²	138.2	68%	0.679	76%	0.756	S	S	*	*				66	136.6	129.9	170.1	0	0	0	0	120.9
291	S	30.9	Very low	32	Very low	94 Å²	94	134.7 Å²	134.7	66%	0.657	74%	0.743	S	S	*	*			cis	-170	162	-14.9	-93.8	0	0	0	0	112.4
292	S	34.4	Very low	32	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	74%	0.737	S	S	*	*			trans	61.5	121.6	157.9	50.6	0	0	0	0	119.8
293	N	28	Very low	31.5	Very low	132 Å²	132	125 Å²	125	71%	0.706	72%	0.723	S	S	*	*				75	118.3	51.8	-81	5.4	0	0	0	115.5
294	F	30.5	Very low	31.2	Very low	178 Å²	178	124.7 Å²	124.7	78%	0.781	72%	0.721	S	S	*	*				-175.9	157.1	90.4	-108.3	-72.4	0	0	0	114.4
295	Q	27.2	Very low	30.8	Very low	141 Å²	141	125.7 Å²	125.7	66%	0.659	72%	0.721	S	S	*	*			trans	-90.5	177.5	-163	-61.1	151.8	-58.4	0	0	116.1
296	N	27.3	Very low	30.3	Very low	146 Å²	146	123 Å²	123	78%	0.781	71%	0.712	S	S	*	*			trans	85.9	156.2	145.8	-68.7	-16.8	0	0	0	120.1
297	S	27.6	Very low	29.9	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	71%	0.713	S	S	*	*			cis	168.1	168	-31.4	-176	0	0	0	0	108.6
298	V	27.7	Very low	29	Very low	121 Å²	121	125 Å²	125	73%	0.733	71%	0.71	S	S	*	*			trans	94.2	100.4	157.7	-169.1	0	0	0	0	119.6
299	V	27.8	Very low	28.6	Very low	120 Å²	120	128.3 Å²	128.3	73%	0.727	71%	0.709	S	S	*	*			trans	-6.1	170.6	146.3	-83.5	0	0	0	0	121.4
300	T	26.9	Very low	28.6	Very low	90 Å²	90	124.4 Å²	124.4	55%	0.552	70%	0.7	S	S	*	*			cis	-164.5	173.3	39.4	-25.2	0	0	0	0	116.1
301	N	27.4	Very low	28.3	Very low	97 Å²	97	125.7 Å²	125.7	52%	0.519	71%	0.707	S	S	.	*			trans	74.3	134.4	137.3	-87.9	-10.8	0	0	0	126.4	K578	N301-K578 PolarHBondContact O-NZ 3.24Å
302	M	28.7	Very low	28.3	Very low	156 Å²	156	124.5 Å²	124.5	77%	0.768	71%	0.71	S	S	*	*			trans	60.6	151.1	132.3	-66.1	173.9	-178.2	0	0	121.7
303	A	28.4	Very low	28	Very low	73 Å²	73	127.5 Å²	127.5	60%	0.603	71%	0.714	S	S	*	*			cis	-171.9	150.8	-20.4	0	0	0	0	0	112
304	H	29.1	Very low	28.2	Very low	171 Å²	171	129.2 Å²	129.2	79%	0.792	72%	0.722	S	S	*	*			trans	64	159.3	152	-66.5	20	0	0	0	116.7
305	Q	27.4	Very low	28	Very low	164 Å²	164	124.6 Å²	124.6	77%	0.766	72%	0.716	S	S	*	*			cis	-157.7	179.7	-17.5	-105.1	176.5	33.5	0	0	105.7
306	G	25.9	Very low	28.6	Very low	61 Å²	61	123.4 Å²	123.4	63%	0.629	72%	0.721	S	S	*	*			cis	159.8	163	-3.5	0	0	0	0	0	111.1
307	I	26.1	Very low	29	Very low	164 Å²	164	121.2 Å²	121.2	84%	0.841	72%	0.715	S	S	*	*			trans	72.6	146.9	157.9	-55.9	171.6	0	0	0	117.7
308	H	26.4	Very low	29	Very low	145 Å²	145	123.8 Å²	123.8	67%	0.671	72%	0.721	S	S	*	*			cis	-178.8	121.9	-29.1	-177.1	-100	0	0	0	110.1
309	L	24.4	Very low	29.4	Very low	143 Å²	143	125.4 Å²	125.4	75%	0.749	73%	0.731	S	S	*	*			trans	35.8	175.3	134.9	-71.8	151.1	0	0	0	122.2
310	P	33.2	Very low	29.8	Very low	97 Å²	97	125.2 Å²	125.2	63%	0.63	74%	0.735	S	S	*	*			cis	-148.8	-163.6	-40.6	43	-24	0	0	0	116.5
311	V	29	Very low	30.2	Very low	139 Å²	139	126.5 Å²	126.5	84%	0.842	75%	0.748	S	S	*	*			trans	91.5	132.1	143.8	161.3	0	0	0	0	121.9
312	G	30.1	Very low	31.2	Very low	69 Å²	69	127.5 Å²	127.5	71%	0.711	75%	0.751	S	S	*	*			trans	127.8	128.1	151.7	0	0	0	0	0	115.1
313	M	29	Very low	32.4	Very low	172 Å²	172	121.9 Å²	121.9	85%	0.847	73%	0.733	S	S	*	*			cis	171.3	163	-16.6	-110.9	-72.2	-151.9	0	0	106.6
314	I	31.6	Very low	34.1	Very low	168 Å²	168	122.5 Å²	122.5	86%	0.862	73%	0.725	S	S	*	*			trans	89.6	133.7	169.5	-52.9	161.5	0	0	0	117.6
315	A	28	Very low	35.9	Very low	81 Å²	81	121.1 Å²	121.1	67%	0.669	72%	0.723	S	S	*	*			trans	-148.4	-157.6	-176.3	0	0	0	0	0	107.9
316	P	38.8	Very low	38	Very low	116 Å²	116	118.4 Å²	118.4	75%	0.753	71%	0.711	S	S	*	*			cis	-115.2	-113.5	-24.5	21.4	5.3	0	0	0	108.2
317	P	35.6	Very low	40.2	Very low	100 Å²	100	117.3 Å²	117.3	65%	0.649	69%	0.69	S	S	*	*			cis	-135.2	168.7	-33	40.8	-23	0	0	0	117.8
318	N	28.6	Very low	42.2	Very low	153 Å²	153	111.2 Å²	111.2	82%	0.818	66%	0.66	S	S	*	*			trans	59.4	105	146	-66.5	3.1	0	0	0	123.9
319	T	34.1	Very low	44.5	Very low	155 Å²	155	107.1 Å²	107.1	95%	0.951	65%	0.652	S	S	*	*				-137.2	149.1	123.8	47.3	0	0	0	0	109.9
320	S	36.9	Very low	46.8	Very low	116 Å²	116	104.8 Å²	104.8	81%	0.811	64%	0.637	S	S	*	*			trans	-101.8	145.3	-155.4	48.1	0	0	0	0	117.1
321	S	35.7	Very low	48.6	Very low	117 Å²	117	101.4 Å²	101.4	82%	0.818	61%	0.613	S	S	*	*			trans	-9.8	120.9	158	175.3	0	0	0	0	118.6
322	M	47.6	Very low	50.6	Low	118 Å²	118	96.5 Å²	96.5	58%	0.581	59%	0.588	S	S	*	*			trans	-102.5	144	149.6	-81.1	-154	-75.1	0	0	110.5	E326	M322-E326 HydrophobicContact SD-CG 4.37Å
323	G	54.4	Low	52.6	Low	38 Å²	38	95.4 Å²	95.4	39%	0.392	57%	0.572	S	S	.	*			trans	-83.5	153.7	-179.7	0	0	0	0	0	113.9	N325 E326 L327	G323-N325 PolarHBondContact O-N 3.47Å; G323-E326 PolarHBondContact O-N 2.82Å; G323-L327 PolarHBondContact O-N 2.79Å; G323-L327 VanDerWaalsContact O-N 3.16Å
324	I	63.3	Low	54.5	Low	85 Å²	85	91.8 Å²	91.8	44%	0.436	56%	0.555	S	S	.	*	H	α-helix	trans	-55.4	-37	179.9	-62.9	172.4	0	0	0	111.9	E326 L327 T328 A351 A355	I324-E326 VanDerWaalsContact C-N 3.32Å; I324-E326 PolarHBondContact O-N 3.5Å; I324-L327 PolarHBondContact O-N 3.42Å; I324-T328 WeakPolarHBondContact O-CB 3.41Å; I324-T328 PolarHBondContact O-N 3.4Å; I324-T328 PolarHBondContact O-OG1 3.23Å; I324-A351 HydrophobicContact CG2-CB 4.46Å; I324-A355 HydrophobicContact CG1-CB 4.16Å
325	N	68.5	Low	56.2	Low	142 Å²	142	84 Å²	84	76%	0.759	52%	0.517	S	S	*	.	H	α-helix	trans	-63.2	-37.2	178.5	-64.2	-4	0	0	0	112.4	G323 T328 A329	G323-N325 PolarHBondContact O-N 3.47Å; N325-T328 WeakPolarHBondContact O-CB 3.22Å; N325-T328 PolarHBondContact O-N 3.35Å; N325-A329 PolarHBondContact O-N 3.31Å
326	E	71.5	Confident	58.2	Low	107 Å²	107	87.9 Å²	87.9	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-76.3	-38.9	-178.9	-168.8	161.8	-166.3	0	0	111.3	M322 G323 I324 T328 A329 Q330	M322-E326 HydrophobicContact SD-CG 4.37Å; G323-E326 PolarHBondContact O-N 2.82Å; I324-E326 VanDerWaalsContact C-N 3.32Å; I324-E326 PolarHBondContact O-N 3.5Å; E326-T328 VanDerWaalsContact C-N 3.31Å; E326-T328 PolarHBondContact O-N 2.83Å; E326-A329 PolarHBondContact O-N 2.87Å; E326-Q330 WeakPolarHBondContact O-CG 3.39Å; E326-Q330 PolarHBondContact O-N 3.1Å
327	L	71.5	Confident	59.5	Low	39 Å²	39	90.2 Å²	90.2	20%	0.204	52%	0.522	C	S	.	.	H	α-helix	trans	-62.7	-37.7	170.1	-173.3	62.5	0	0	0	112	G323 I324 Q330 L331 A351 M354	G323-L327 PolarHBondContact O-N 2.79Å; G323-L327 VanDerWaalsContact O-N 3.16Å; I324-L327 PolarHBondContact O-N 3.42Å; L327-Q330 PolarHBondContact O-N 3.06Å; L327-L331 HydrophobicContact CG-CD1 4.27Å; L327-L331 WeakPolarHBondContact O-CB 3.12Å; L327-L331 PolarHBondContact O-N 2.85Å; L327-A351 HydrophobicContact CB-CB 4.38Å; L327-A351 HydrophobicContact CD2-CB 4.18Å; L327-A351 WeakPolarHBondContact CD2-O 3.35Å; L327-A351 HydrophobicContact CG-CB 4.08Å; L327-M354 HydrophobicContact CD1-SD 4.43Å; L327-M354 HydrophobicContact CD2-CB 3.83Å
328	T	68.9	Low	60.6	Low	35 Å²	35	88.6 Å²	88.6	22%	0.215	51%	0.512	C	S	.	.	H	α-helix	trans	-64.6	-44.1	173.7	-57	0	0	0	0	110.9	I324 N325 E326 L331 A332 V347 A351	I324-T328 WeakPolarHBondContact O-CB 3.41Å; I324-T328 PolarHBondContact O-N 3.4Å; I324-T328 PolarHBondContact O-OG1 3.23Å; N325-T328 WeakPolarHBondContact O-CB 3.22Å; N325-T328 PolarHBondContact O-N 3.35Å; E326-T328 VanDerWaalsContact C-N 3.31Å; E326-T328 PolarHBondContact O-N 2.83Å; T328-L331 PolarHBondContact O-N 3.35Å; T328-A332 WeakPolarHBondContact O-CB 3.42Å; T328-A332 PolarHBondContact O-N 3.39Å; T328-V347 HydrophobicContact CG2-CB 4.41Å; T328-V347 HydrophobicContact CG2-CG1 3.66Å; T328-V347 WeakPolarHBondContact O-CG1 2.94Å; T328-A351 VanDerWaalsContact OG1-CB 3.3Å; T328-A351 WeakPolarHBondContact OG1-CB 2.84Å
329	A	74.1	Confident	61.5	Low	59 Å²	59	84.7 Å²	84.7	49%	0.488	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-42.2	176.4	0	0	0	0	0	112.4	N325 E326 A332 A333	N325-A329 PolarHBondContact O-N 3.31Å; E326-A329 PolarHBondContact O-N 2.87Å; A329-A332 PolarHBondContact O-N 2.93Å; A329-A333 WeakPolarHBondContact O-CB 3.21Å; A329-A333 PolarHBondContact O-N 3.46Å
330	Q	73.4	Confident	62	Low	94 Å²	94	79.2 Å²	79.2	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.8	-73.2	175.4	3.2	0	0	111.9	E326 L327 A332 A333 L334	E326-Q330 WeakPolarHBondContact O-CG 3.39Å; E326-Q330 PolarHBondContact O-N 3.1Å; L327-Q330 PolarHBondContact O-N 3.06Å; Q330-A332 PolarHBondContact O-N 3.17Å; Q330-A333 PolarHBondContact O-N 3.2Å; Q330-L334 WeakPolarHBondContact O-CB 3.28Å; Q330-L334 PolarHBondContact O-N 2.87Å
331	L	70.8	Confident	62.6	Low	26 Å²	26	78.8 Å²	78.8	14%	0.136	48%	0.477	C	S	.	.	H	α-helix	trans	-63.3	-39.3	174.6	-82.9	161.1	0	0	0	112.3	L327 T328 L334 A335 V347 T350 A351 M354	L327-L331 HydrophobicContact CG-CD1 4.27Å; L327-L331 WeakPolarHBondContact O-CB 3.12Å; L327-L331 PolarHBondContact O-N 2.85Å; T328-L331 PolarHBondContact O-N 3.35Å; L331-L334 PolarHBondContact O-N 3.31Å; L331-A335 WeakPolarHBondContact O-CB 3.42Å; L331-A335 PolarHBondContact O-N 3.36Å; L331-V347 HydrophobicContact CB-CG1 3.65Å; L331-T350 HydrophobicContact CD1-CG2 3.97Å; L331-T350 HydrophobicContact CD2-CG2 4.12Å; L331-A351 HydrophobicContact CD1-CB 3.87Å; L331-M354 HydrophobicContact CD1-SD 4.13Å; L331-M354 HydrophobicContact CD2-CE 4.33Å
332	A	69.8	Low	63.6	Low	37 Å²	37	75.8 Å²	75.8	31%	0.306	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-44	175.4	0	0	0	0	0	112.3	T328 A329 Q330 A335 Q336 V347	T328-A332 WeakPolarHBondContact O-CB 3.42Å; T328-A332 PolarHBondContact O-N 3.39Å; A329-A332 PolarHBondContact O-N 2.93Å; Q330-A332 PolarHBondContact O-N 3.17Å; A332-A335 WeakPolarHBondContact O-CB 3.41Å; A332-A335 PolarHBondContact O-N 2.87Å; A332-Q336 PolarHBondContact O-N 3.03Å; A332-V347 HydrophobicContact CB-CG1 4.17Å
333	A	72.5	Confident	64.5	Low	45 Å²	45	74.1 Å²	74.1	37%	0.372	45%	0.448	S	S	.	.	H	α-helix	trans	-64.6	-41.2	176.5	0	0	0	0	0	112	A329 Q330 A335 Q336 Q337	A329-A333 WeakPolarHBondContact O-CB 3.21Å; A329-A333 PolarHBondContact O-N 3.46Å; Q330-A333 PolarHBondContact O-N 3.2Å; A333-A335 VanDerWaalsContact C-N 3.33Å; A333-A335 PolarHBondContact O-N 2.86Å; A333-Q336 PolarHBondContact O-N 3.03Å; A333-Q337 PolarHBondContact O-N 3.25Å
334	L	69.8	Low	64.8	Low	96 Å²	96	77.7 Å²	77.7	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-66	-36.7	176.9	-155.5	77.6	0	0	0	111.7	Q330 L331 Q337 S338	Q330-L334 WeakPolarHBondContact O-CB 3.28Å; Q330-L334 PolarHBondContact O-N 2.87Å; L331-L334 PolarHBondContact O-N 3.31Å; L334-Q337 PolarHBondContact O-N 3.2Å; L334-S338 WeakPolarHBondContact O-CB 3.44Å; L334-S338 PolarHBondContact O-N 3.11Å; L334-S338 VanDerWaalsContact O-N 3.12Å; L334-S338 PolarHBondContact O-OG 3.38Å
335	A	65.5	Low	64.7	Low	6 Å²	6	77 Å²	77	5%	0.05	47%	0.472	C	S	.	.	H	α-helix	trans	-62.9	-45.9	174.2	0	0	0	0	0	111.8	L331 A332 A333 Q337 S338 G339 L340 L342	L331-A335 WeakPolarHBondContact O-CB 3.42Å; L331-A335 PolarHBondContact O-N 3.36Å; A332-A335 WeakPolarHBondContact O-CB 3.41Å; A332-A335 PolarHBondContact O-N 2.87Å; A333-A335 VanDerWaalsContact C-N 3.33Å; A333-A335 PolarHBondContact O-N 2.86Å; A335-Q337 PolarHBondContact O-N 3.29Å; A335-S338 CarbonylContact O-C 3.49Å; A335-S338 PolarHBondContact O-N 2.98Å; A335-S338 PolarHBondContact O-OG 3.4Å; A335-G339 PolarHBondContact O-N 3.41Å; A335-L340 CarbonylContact C-O 3.35Å; A335-L340 HydrophobicContact CB-CB 4.24Å; A335-L340 WeakPolarHBondContact CB-O 3.49Å; A335-L340 PolarHBondContact O-N 3.02Å; A335-L342 HydrophobicContact CB-CB 4.31Å; A335-L342 HydrophobicContact CB-CD1 3.87Å; A335-L342 HydrophobicContact CB-CG 4.39Å
336	Q	70.2	Confident	64.7	Low	162 Å²	162	71.6 Å²	71.6	76%	0.757	45%	0.447	S	S	*	.	H	α-helix	trans	-61.6	-42.3	176.1	-74.1	-178.5	-30.7	0	0	112.5	A332 A333 S338 G339	A332-Q336 PolarHBondContact O-N 3.03Å; A333-Q336 PolarHBondContact O-N 3.03Å; Q336-S338 VanDerWaalsContact C-N 3.26Å; Q336-S338 PolarHBondContact O-N 3.25Å; Q336-G339 PolarHBondContact O-N 3.3Å
337	Q	65.8	Low	64.5	Low	165 Å²	165	66.8 Å²	66.8	77%	0.771	43%	0.425	S	S	*	.	H	α-helix	trans	-67.3	-24.5	176.7	-72	-174.8	3.9	0	0	113.9	A333 L334 A335	A333-Q337 PolarHBondContact O-N 3.25Å; L334-Q337 PolarHBondContact O-N 3.2Å; A335-Q337 PolarHBondContact O-N 3.29Å
338	S	58.7	Low	64.3	Low	65 Å²	65	66.8 Å²	66.8	46%	0.455	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	8.6	179.6	51.3	0	0	0	0	114	L334 A335 Q336 L340	L334-S338 WeakPolarHBondContact O-CB 3.44Å; L334-S338 PolarHBondContact O-N 3.11Å; L334-S338 VanDerWaalsContact O-N 3.12Å; L334-S338 PolarHBondContact O-OG 3.38Å; A335-S338 CarbonylContact O-C 3.49Å; A335-S338 PolarHBondContact O-N 2.98Å; A335-S338 PolarHBondContact O-OG 3.4Å; Q336-S338 VanDerWaalsContact C-N 3.26Å; Q336-S338 PolarHBondContact O-N 3.25Å; S338-L340 PolarHBondContact O-N 3.18Å
339	G	48.2	Very low	64.2	Low	72 Å²	72	68.1 Å²	68.1	74%	0.742	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	14.8	-179.4	0	0	0	0	0	114.2	A335 Q336	A335-G339 PolarHBondContact O-N 3.41Å; Q336-G339 PolarHBondContact O-N 3.3Å
340	L	44.6	Very low	63.8	Low	39 Å²	39	67.1 Å²	67.1	20%	0.204	43%	0.432	C	S	.	.			trans	-90.4	111.7	-179.1	-75.8	172.4	0	0	0	111.2	A335 S338 L342 L378 Q382	A335-L340 CarbonylContact C-O 3.35Å; A335-L340 HydrophobicContact CB-CB 4.24Å; A335-L340 WeakPolarHBondContact CB-O 3.49Å; A335-L340 PolarHBondContact O-N 3.02Å; S338-L340 PolarHBondContact O-N 3.18Å; L340-L342 PolarHBondContact O-N 2.73Å; L340-L378 HydrophobicContact CD1-CD1 4.37Å; L340-L378 HydrophobicContact CD1-CD2 3.56Å; L340-L378 HydrophobicContact CD1-CG 3.73Å; L340-Q382 VanDerWaalsContact CD2-NE2 3.25Å
341	A	49.2	Very low	63.5	Low	108 Å²	108	62.6 Å²	62.6	89%	0.893	41%	0.411	S	S	*	.			trans	-75.8	73.8	166.9	0	0	0	0	0	110.9
342	L	56.9	Low	63.3	Low	53 Å²	53	63.8 Å²	63.8	28%	0.277	42%	0.422	S	S	.	.			trans	-74.8	133.6	168.1	-79.8	168.4	0	0	0	110	A335 L340 A346 V347	A335-L342 HydrophobicContact CB-CB 4.31Å; A335-L342 HydrophobicContact CB-CD1 3.87Å; A335-L342 HydrophobicContact CB-CG 4.39Å; L340-L342 PolarHBondContact O-N 2.73Å; L342-A346 HydrophobicContact CD2-CB 3.8Å; L342-V347 HydrophobicContact CB-CG2 3.69Å; L342-V347 HydrophobicContact CD1-CG2 4.41Å
343	T	67.1	Low	63.1	Low	84 Å²	84	69 Å²	69	52%	0.515	44%	0.437	S	S	.	.			trans	-67.5	149.1	171.1	65	0	0	0	0	109.7	A345 A346 V347	T343-A345 PolarHBondContact O-N 3.33Å; T343-A345 VanDerWaalsContact O-N 3.08Å; T343-A346 PolarHBondContact O-N 2.9Å; T343-A346 WeakPolarHBondContact OG1-CB 3.31Å; T343-A346 PolarHBondContact OG1-N 2.86Å; T343-V347 WeakPolarHBondContact O-CG2 3.36Å; T343-V347 PolarHBondContact O-N 2.76Å
344	P	60.3	Low	62.9	Low	112 Å²	112	69.3 Å²	69.3	73%	0.727	43%	0.432	S	S	*	.	H	α-helix	trans	-53.2	-33.1	176.1	-28.8	36	0	0	0	113.2	V347 A348	P344-V347 PolarHBondContact O-N 2.74Å; P344-A348 WeakPolarHBondContact O-CB 3.42Å; P344-A348 PolarHBondContact O-N 3.3Å
345	A	62.2	Low	62.6	Low	72 Å²	72	65.4 Å²	65.4	60%	0.595	41%	0.414	S	S	*	.	H	α-helix	trans	-64.6	-43	173.2	0	0	0	0	0	113.2	T343 A348 A349	T343-A345 PolarHBondContact O-N 3.33Å; T343-A345 VanDerWaalsContact O-N 3.08Å; A345-A348 PolarHBondContact O-N 2.89Å; A345-A349 VanDerWaalsContact O-CB 3.27Å; A345-A349 WeakPolarHBondContact O-CB 3.39Å; A345-A349 PolarHBondContact O-N 2.98Å
346	A	68.1	Low	62	Low	28 Å²	28	71 Å²	71	23%	0.231	44%	0.442	C	S	.	.	H	α-helix	trans	-67.6	-37.4	176.9	0	0	0	0	0	112.2	L342 T343 T350	L342-A346 HydrophobicContact CD2-CB 3.8Å; T343-A346 PolarHBondContact O-N 2.9Å; T343-A346 WeakPolarHBondContact OG1-CB 3.31Å; T343-A346 PolarHBondContact OG1-N 2.86Å; A346-T350 WeakPolarHBondContact O-CB 3.24Å; A346-T350 PolarHBondContact O-N 2.81Å; A346-T350 PolarHBondContact O-OG1 2.8Å
347	V	68.2	Low	61.3	Low	6 Å²	6	67.5 Å²	67.5	4%	0.036	43%	0.432	C	S	.	.	H	α-helix	trans	-62.5	-50.7	172.8	-176	0	0	0	0	110.4	T328 L331 A332 L342 T343 P344 A349 T350 A351	T328-V347 HydrophobicContact CG2-CB 4.41Å; T328-V347 HydrophobicContact CG2-CG1 3.66Å; T328-V347 WeakPolarHBondContact O-CG1 2.94Å; L331-V347 HydrophobicContact CB-CG1 3.65Å; A332-V347 HydrophobicContact CB-CG1 4.17Å; L342-V347 HydrophobicContact CB-CG2 3.69Å; L342-V347 HydrophobicContact CD1-CG2 4.41Å; T343-V347 WeakPolarHBondContact O-CG2 3.36Å; T343-V347 PolarHBondContact O-N 2.76Å; P344-V347 PolarHBondContact O-N 2.74Å; V347-A349 PolarHBondContact O-N 2.81Å; V347-T350 PolarHBondContact O-N 2.99Å; V347-A351 WeakPolarHBondContact O-CB 3.44Å; V347-A351 PolarHBondContact O-N 3.05Å
348	A	67.3	Low	60.8	Low	39 Å²	39	63.2 Å²	63.2	32%	0.322	42%	0.42	S	S	.	.	H	α-helix	trans	-64.1	-38.5	-179.9	0	0	0	0	0	112.9	P344 A345 S352	P344-A348 WeakPolarHBondContact O-CB 3.42Å; P344-A348 PolarHBondContact O-N 3.3Å; A345-A348 PolarHBondContact O-N 2.89Å; A348-S352 WeakPolarHBondContact O-CB 3.48Å; A348-S352 PolarHBondContact O-N 3.19Å; A348-S352 PolarHBondContact O-OG 2.89Å
349	A	65.6	Low	60.2	Low	62 Å²	62	68 Å²	68	51%	0.512	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-42.6	174.3	0	0	0	0	0	111.8	A345 V347 S352 F353	A345-A349 VanDerWaalsContact O-CB 3.27Å; A345-A349 WeakPolarHBondContact O-CB 3.39Å; A345-A349 PolarHBondContact O-N 2.98Å; V347-A349 PolarHBondContact O-N 2.81Å; A349-S352 PolarHBondContact O-N 3.02Å; A349-F353 WeakPolarHBondContact O-CB 3.46Å; A349-F353 PolarHBondContact O-N 2.99Å
350	T	66.1	Low	59.7	Low	38 Å²	38	71.8 Å²	71.8	23%	0.233	44%	0.438	C	S	.	.	H	α-helix	trans	-65.6	-43.8	176.9	-54.9	0	0	0	0	111.4	L331 A346 V347 S352 F353 M354	L331-T350 HydrophobicContact CD1-CG2 3.97Å; L331-T350 HydrophobicContact CD2-CG2 4.12Å; A346-T350 WeakPolarHBondContact O-CB 3.24Å; A346-T350 PolarHBondContact O-N 2.81Å; A346-T350 PolarHBondContact O-OG1 2.8Å; V347-T350 PolarHBondContact O-N 2.99Å; T350-S352 PolarHBondContact O-N 3.16Å; T350-F353 PolarHBondContact O-N 2.94Å; T350-M354 HydrophobicContact CG2-CE 4.04Å; T350-M354 HydrophobicContact CG2-SD 4.49Å; T350-M354 WeakPolarHBondContact O-CB 3.19Å; T350-M354 WeakPolarHBondContact O-CG 3.5Å; T350-M354 PolarHBondContact O-N 3.25Å
351	A	66.1	Low	59.3	Low	0 Å²	0	74.6 Å²	74.6	0%	0	46%	0.461	C	S	.	.	H	α-helix	trans	-61.3	-43	175	0	0	0	0	0	111.9	I324 L327 T328 L331 V347 M354 A355	I324-A351 HydrophobicContact CG2-CB 4.46Å; L327-A351 HydrophobicContact CB-CB 4.38Å; L327-A351 HydrophobicContact CD2-CB 4.18Å; L327-A351 WeakPolarHBondContact CD2-O 3.35Å; L327-A351 HydrophobicContact CG-CB 4.08Å; T328-A351 VanDerWaalsContact OG1-CB 3.3Å; T328-A351 WeakPolarHBondContact OG1-CB 2.84Å; L331-A351 HydrophobicContact CD1-CB 3.87Å; V347-A351 WeakPolarHBondContact O-CB 3.44Å; V347-A351 PolarHBondContact O-N 3.05Å; A351-M354 PolarHBondContact O-N 3.06Å; A351-A355 WeakPolarHBondContact O-CB 3.43Å; A351-A355 PolarHBondContact O-N 3.22Å
352	S	66.9	Low	58.5	Low	50 Å²	50	72.8 Å²	72.8	35%	0.35	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176.5	-58.5	0	0	0	0	111.9	A348 A349 T350 A355 L356	A348-S352 WeakPolarHBondContact O-CB 3.48Å; A348-S352 PolarHBondContact O-N 3.19Å; A348-S352 PolarHBondContact O-OG 2.89Å; A349-S352 PolarHBondContact O-N 3.02Å; T350-S352 PolarHBondContact O-N 3.16Å; S352-A355 PolarHBondContact O-N 3.08Å; S352-L356 VanDerWaalsContact O-CG 3.32Å; S352-L356 WeakPolarHBondContact O-CG 3.47Å; S352-L356 PolarHBondContact O-N 3.17Å
353	F	66.1	Low	57.3	Low	146 Å²	146	76.8 Å²	76.8	64%	0.64	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-45.3	176.3	-167.9	-90.2	0	0	0	111.8	A349 T350 A355 L356 T357	A349-F353 WeakPolarHBondContact O-CB 3.46Å; A349-F353 PolarHBondContact O-N 2.99Å; T350-F353 PolarHBondContact O-N 2.94Å; F353-A355 PolarHBondContact O-N 3.31Å; F353-L356 PolarHBondContact O-N 2.94Å; F353-T357 HydrophobicContact CD1-CG2 4.08Å; F353-T357 HydrophobicContact CE1-CG2 3.77Å; F353-T357 HydrophobicContact CZ-CG2 4.35Å; F353-T357 WeakPolarHBondContact O-CG2 3.49Å; F353-T357 PolarHBondContact O-N 2.79Å; F353-T357 PolarHBondContact O-OG1 2.85Å
354	M	68.9	Low	55.7	Low	53 Å²	53	76 Å²	76	26%	0.261	49%	0.491	S	S	.	.	H	α-helix	trans	-59.7	-44.6	175.2	-75.9	-176.9	177.8	0	0	111.9	L327 L331 T350 A351 L356 T357 S358 L374	L327-M354 HydrophobicContact CD1-SD 4.43Å; L327-M354 HydrophobicContact CD2-CB 3.83Å; L331-M354 HydrophobicContact CD1-SD 4.13Å; L331-M354 HydrophobicContact CD2-CE 4.33Å; T350-M354 HydrophobicContact CG2-CE 4.04Å; T350-M354 HydrophobicContact CG2-SD 4.49Å; T350-M354 WeakPolarHBondContact O-CB 3.19Å; T350-M354 WeakPolarHBondContact O-CG 3.5Å; T350-M354 PolarHBondContact O-N 3.25Å; A351-M354 PolarHBondContact O-N 3.06Å; M354-L356 PolarHBondContact O-N 3.1Å; M354-T357 WeakPolarHBondContact CA-OG1 3.36Å; M354-T357 PolarHBondContact O-N 2.88Å; M354-T357 PolarHBondContact O-OG1 2.76Å; M354-S358 PolarHBondContact O-N 2.88Å; M354-L374 HydrophobicContact CE-CD2 4.29Å
355	A	63.6	Low	54.4	Low	14 Å²	14	78 Å²	78	12%	0.116	50%	0.502	C	S	.	.	H	α-helix	trans	-61.1	-42	176	0	0	0	0	0	112.6	I324 A351 S352 F353 T357 S358 Q359	I324-A355 HydrophobicContact CG1-CB 4.16Å; A351-A355 WeakPolarHBondContact O-CB 3.43Å; A351-A355 PolarHBondContact O-N 3.22Å; S352-A355 PolarHBondContact O-N 3.08Å; F353-A355 PolarHBondContact O-N 3.31Å; A355-T357 VanDerWaalsContact C-N 3.35Å; A355-T357 PolarHBondContact O-N 3.34Å; A355-S358 PolarHBondContact O-N 2.82Å; A355-S358 PolarHBondContact O-OG 2.75Å; A355-Q359 PolarHBondContact O-N 2.91Å
356	L	52.9	Low	52.9	Low	123 Å²	123	83 Å²	83	64%	0.644	51%	0.512	S	S	*	.	H	α-helix	trans	-64.6	-37.6	175.3	-71.8	168.6	0	0	0	112.3	S352 F353 M354	S352-L356 VanDerWaalsContact O-CG 3.32Å; S352-L356 WeakPolarHBondContact O-CG 3.47Å; S352-L356 PolarHBondContact O-N 3.17Å; F353-L356 PolarHBondContact O-N 2.94Å; M354-L356 PolarHBondContact O-N 3.1Å
357	T	55.3	Low	51.1	Low	89 Å²	89	86.8 Å²	86.8	55%	0.546	54%	0.537	S	S	.	.	H	α-helix	trans	-70.6	-27.8	175.7	59.3	0	0	0	0	113.6	F353 M354 A355	F353-T357 HydrophobicContact CD1-CG2 4.08Å; F353-T357 HydrophobicContact CE1-CG2 3.77Å; F353-T357 HydrophobicContact CZ-CG2 4.35Å; F353-T357 WeakPolarHBondContact O-CG2 3.49Å; F353-T357 PolarHBondContact O-N 2.79Å; F353-T357 PolarHBondContact O-OG1 2.85Å; M354-T357 WeakPolarHBondContact CA-OG1 3.36Å; M354-T357 PolarHBondContact O-N 2.88Å; M354-T357 PolarHBondContact O-OG1 2.76Å; A355-T357 VanDerWaalsContact C-N 3.35Å; A355-T357 PolarHBondContact O-N 3.34Å
358	S	54	Low	49.3	Very low	75 Å²	75	94.4 Å²	94.4	52%	0.524	58%	0.575	S	S	.	*	H	α-helix	trans	-79.2	-30.1	-178.9	71.5	0	0	0	0	113.4	M354 A355 N360 S361	M354-S358 PolarHBondContact O-N 2.88Å; A355-S358 PolarHBondContact O-N 2.82Å; A355-S358 PolarHBondContact O-OG 2.75Å; S358-N360 VanDerWaalsContact C-N 3.29Å; S358-N360 PolarHBondContact O-N 3.27Å; S358-S361 PolarHBondContact O-OG 3.02Å
359	Q	45.8	Very low	47.6	Very low	165 Å²	165	98 Å²	98	77%	0.771	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-5.7	-173.6	-74.5	-173.3	-12.3	0	0	115.8	A355	A355-Q359 PolarHBondContact O-N 2.91Å
360	N	39.4	Very low	46.1	Very low	151 Å²	151	98.5 Å²	98.5	81%	0.807	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	29	-176.6	-159.7	69.2	0	0	0	114.5	S358	S358-N360 VanDerWaalsContact C-N 3.29Å; S358-N360 PolarHBondContact O-N 3.27Å
361	S	34.8	Very low	44.8	Very low	98 Å²	98	103.2 Å²	103.2	69%	0.685	64%	0.637	S	S	*	*			trans	-122.8	86.1	177.4	46.3	0	0	0	0	112.7	S358	S358-S361 PolarHBondContact O-OG 3.02Å
362	G	31.9	Very low	43.4	Very low	71 Å²	71	107.9 Å²	107.9	73%	0.732	67%	0.668	S	S	*	*			trans	-71.4	142.1	164.7	0	0	0	0	0	111.1	G364	G362-G364 PolarHBondContact O-N 2.84Å
363	P	33.2	Very low	42.1	Very low	137 Å²	137	110.7 Å²	110.7	89%	0.89	68%	0.679	S	S	*	*	S	Bend	trans	-76.5	117.2	-171.7	29.6	-34	0	0	0	111.4
364	G	32.1	Very low	40.8	Very low	66 Å²	66	108 Å²	108	68%	0.68	67%	0.671	S	S	*	*			trans	170.7	20.8	179.8	0	0	0	0	0	121.1	G362	G362-G364 PolarHBondContact O-N 2.84Å
365	T	33.7	Very low	39.5	Very low	156 Å²	156	108.6 Å²	108.6	96%	0.957	68%	0.68	S	S	*	*			trans	-164	155.4	154	2.2	0	0	0	0	112.2
366	Q	31.5	Very low	38.7	Very low	176 Å²	176	112.3 Å²	112.3	82%	0.822	70%	0.701	S	S	*	*			trans	-108.7	136.9	-159.7	-58.3	164.9	14.4	0	0	112.4
367	S	29.6	Very low	38.4	Very low	108 Å²	108	110 Å²	110	76%	0.755	69%	0.689	S	S	*	*			trans	62.3	144.2	161.5	82.8	0	0	0	0	116.2
368	M	31	Very low	37.6	Very low	166 Å²	166	109.5 Å²	109.5	82%	0.818	68%	0.683	S	S	*	*			cis	-146.4	147.8	23.9	-98.8	-63.1	-160.8	0	0	111.6
369	S	30.6	Very low	37.1	Very low	113 Å²	113	109.7 Å²	109.7	79%	0.79	69%	0.689	S	S	*	*			trans	39.2	114.3	148.9	64.9	0	0	0	0	120.5
370	G	34.5	Very low	37.1	Very low	74 Å²	74	106.1 Å²	106.1	76%	0.763	69%	0.687	S	S	*	*			trans	173.8	19.5	166.1	0	0	0	0	0	118.5	P372	G370-P372 WeakPolarHBondContact O-CD 3.35Å
371	T	37.9	Very low	37.3	Very low	136 Å²	136	104 Å²	104	83%	0.834	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-65	120.3	178.7	48	0	0	0	0	111	N373	T371-N373 PolarHBondContact O-N 2.74Å
372	P	37.3	Very low	37.3	Very low	98 Å²	98	106.7 Å²	106.7	64%	0.636	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.8	129.6	176.5	27.9	-33	0	0	0	110	G370	G370-P372 WeakPolarHBondContact O-CD 3.35Å
373	N	39.5	Very low	37.3	Very low	110 Å²	110	107.2 Å²	107.2	59%	0.588	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-61.7	137.1	179.6	-166.3	-6.4	0	0	0	110.7	T371 S375 T376	T371-N373 PolarHBondContact O-N 2.74Å; N373-S375 VanDerWaalsContact CG-OG 3.24Å; N373-S375 PolarHBondContact ND2-OG 3.47Å; N373-S375 PolarHBondContact O-N 3.29Å; N373-S375 VanDerWaalsContact O-N 3.11Å; N373-T376 WeakPolarHBondContact O-CB 3.18Å; N373-T376 PolarHBondContact O-N 3.38Å; N373-T376 PolarHBondContact O-OG1 3.26Å
374	L	39.9	Very low	37.2	Very low	90 Å²	90	104.6 Å²	104.6	47%	0.471	68%	0.68	S	S	.	*	H	α-helix	trans	-53.7	-32.7	179.8	-90.7	162.9	0	0	0	112.6	M354 T376 I377 L378	M354-L374 HydrophobicContact CE-CD2 4.29Å; L374-T376 PolarHBondContact O-N 3.49Å; L374-I377 PolarHBondContact O-N 2.95Å; L374-I377 VanDerWaalsContact O-N 3.12Å; L374-L378 PolarHBondContact O-N 2.88Å
375	S	41.6	Very low	37	Very low	64 Å²	64	106.4 Å²	106.4	45%	0.448	69%	0.689	S	S	.	*	H	α-helix	trans	-55.6	-34.1	173.9	60.2	0	0	0	0	113.6	N373 A379	N373-S375 VanDerWaalsContact CG-OG 3.24Å; N373-S375 PolarHBondContact ND2-OG 3.47Å; N373-S375 PolarHBondContact O-N 3.29Å; N373-S375 VanDerWaalsContact O-N 3.11Å; S375-A379 WeakPolarHBondContact O-CB 3.39Å; S375-A379 PolarHBondContact O-N 3.03Å
376	T	46.5	Very low	37.1	Very low	92 Å²	92	106.1 Å²	106.1	56%	0.564	69%	0.687	S	S	*	*	H	α-helix	trans	-75.6	-30.4	-179.7	-50.8	0	0	0	0	111.7	N373 L374	N373-T376 WeakPolarHBondContact O-CB 3.18Å; N373-T376 PolarHBondContact O-N 3.38Å; N373-T376 PolarHBondContact O-OG1 3.26Å; L374-T376 PolarHBondContact O-N 3.49Å
377	I	45.8	Very low	37.3	Very low	76 Å²	76	106 Å²	106	39%	0.39	69%	0.686	S	S	.	*	H	α-helix	trans	-75.3	-42.6	175.6	-58.1	176.8	0	0	0	109.6	L374 A379 A380	L374-I377 PolarHBondContact O-N 2.95Å; L374-I377 VanDerWaalsContact O-N 3.12Å; I377-A379 PolarHBondContact O-N 3.48Å; I377-A380 PolarHBondContact O-N 2.68Å
378	L	38.7	Very low	37.3	Very low	78 Å²	78	107.4 Å²	107.4	41%	0.408	69%	0.691	S	S	.	*	H	α-helix	trans	-60.2	-43.9	174.2	-109	70.9	0	0	0	112.8	L340 L374 A380 L381	L340-L378 HydrophobicContact CD1-CD1 4.37Å; L340-L378 HydrophobicContact CD1-CD2 3.56Å; L340-L378 HydrophobicContact CD1-CG 3.73Å; L374-L378 PolarHBondContact O-N 2.88Å; L378-A380 PolarHBondContact O-N 3.19Å; L378-A380 VanDerWaalsContact O-N 3.14Å; L378-L381 PolarHBondContact O-N 2.95Å; L378-L381 VanDerWaalsContact O-N 3.11Å
379	A	43.5	Very low	37.4	Very low	79 Å²	79	102.9 Å²	102.9	65%	0.653	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-14.7	-176.8	0	0	0	0	0	114.2	S375 I377	S375-A379 WeakPolarHBondContact O-CB 3.39Å; S375-A379 PolarHBondContact O-N 3.03Å; I377-A379 PolarHBondContact O-N 3.48Å
380	A	46.7	Very low	37.7	Very low	90 Å²	90	103.9 Å²	103.9	74%	0.744	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-9.6	175.9	0	0	0	0	0	113.8	I377 L378	I377-A380 PolarHBondContact O-N 2.68Å; L378-A380 PolarHBondContact O-N 3.19Å; L378-A380 VanDerWaalsContact O-N 3.14Å
381	L	44	Very low	37.7	Very low	106 Å²	106	107.9 Å²	107.9	56%	0.555	69%	0.691	S	S	*	*	S	Bend	trans	-99.1	-2.9	-172.9	-80.8	155.8	0	0	0	114.8	L378	L378-L381 PolarHBondContact O-N 2.95Å; L378-L381 VanDerWaalsContact O-N 3.11Å
382	Q	33.6	Very low	38	Very low	154 Å²	154	106.7 Å²	106.7	72%	0.72	69%	0.685	S	S	*	*			trans	-120.1	96.1	-179.6	-70.7	-174.1	-6.7	0	0	112.4	L340	L340-Q382 VanDerWaalsContact CD2-NE2 3.25Å
383	G	31.6	Very low	38	Very low	82 Å²	82	109.5 Å²	109.5	85%	0.845	69%	0.689	S	S	*	*			trans	-110	112.5	159.2	0	0	0	0	0	109.6
384	G	31.1	Very low	38	Very low	82 Å²	82	112.3 Å²	112.3	85%	0.845	70%	0.701	S	S	*	*			trans	169.6	134.4	-179.4	0	0	0	0	0	111.8
385	A	29.3	Very low	37.8	Very low	104 Å²	104	113 Å²	113	86%	0.86	71%	0.714	S	S	*	*			trans	-96.2	149.7	-165.6	0	0	0	0	0	114.7
386	V	34.3	Very low	37.6	Very low	151 Å²	151	113.8 Å²	113.8	92%	0.915	73%	0.731	S	S	*	*			trans	-140.9	152.1	159.3	-163.9	0	0	0	0	109.7
387	Q	35.7	Very low	37.2	Very low	173 Å²	173	112.7 Å²	112.7	81%	0.808	74%	0.738	S	S	*	*			trans	-97.3	151.5	-163.2	-62.7	170.9	-23.5	0	0	115.2
388	T	30.4	Very low	36.9	Very low	138 Å²	138	117.2 Å²	117.2	85%	0.847	76%	0.763	S	S	*	*			trans	44.1	128.1	141.9	57.4	0	0	0	0	122.6
389	G	33.9	Very low	36.9	Very low	71 Å²	71	117.3 Å²	117.3	73%	0.732	78%	0.775	S	S	*	*			trans	177.4	80.2	162.2	0	0	0	0	0	118.3
390	V	35.3	Very low	36.7	Very low	134 Å²	134	119.1 Å²	119.1	81%	0.812	78%	0.783	S	S	*	*			trans	28.3	111	148.6	-103	0	0	0	0	123
391	L	34.6	Very low	36.5	Very low	158 Å²	158	120.8 Å²	120.8	83%	0.827	78%	0.784	S	S	*	*				31.4	163.2	115	-67.5	173.4	0	0	0	122.5
392	P	45.8	Very low	36.3	Very low	110 Å²	110	124.7 Å²	124.7	71%	0.714	80%	0.801	S	S	*	*			cis	-150.1	-178.6	-27.8	41.9	-22.6	0	0	0	118.4
393	H	36.2	Very low	36.6	Very low	158 Å²	158	120.9 Å²	120.9	73%	0.731	80%	0.803	S	S	*	*			trans	85.6	159.1	138.6	-147.8	70.4	0	0	0	123.6
394	M	38.9	Very low	37.1	Very low	168 Å²	168	122.3 Å²	122.3	83%	0.828	80%	0.8	S	S	*	*			trans	92.7	140.4	179.9	-64	-79.6	164.8	0	0	116.5
395	S	36.3	Very low	37.6	Very low	106 Å²	106	124.4 Å²	124.4	74%	0.741	80%	0.796	S	S	*	*			cis	164.8	142.6	-48.5	-178.8	0	0	0	0	108.7
396	G	37.4	Very low	38.1	Very low	79 Å²	79	128.1 Å²	128.1	81%	0.814	80%	0.796	S	S	*	*			trans	101.6	145.4	173.6	0	0	0	0	0	115.8
397	G	39.3	Very low	38.2	Very low	69 Å²	69	127.3 Å²	127.3	71%	0.711	79%	0.792	S	S	*	*			cis	161.1	144.5	-7.5	0	0	0	0	0	113.5
398	N	38.9	Very low	38.7	Very low	172 Å²	172	124.2 Å²	124.2	92%	0.92	79%	0.786	S	S	*	*			trans	72.3	159.7	166.7	-60.8	-6.1	0	0	0	120.2
399	A	38.5	Very low	39.1	Very low	79 Å²	79	124.2 Å²	124.2	65%	0.653	79%	0.786	S	S	*	*			cis	178.2	170.8	-36.1	0	0	0	0	0	110.5
400	S	39.8	Very low	39.3	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	79%	0.786	S	S	*	*			trans	73.6	152.9	160.9	78.2	0	0	0	0	118.2
401	V	41.7	Very low	39.4	Very low	125 Å²	125	124.3 Å²	124.3	76%	0.758	78%	0.781	S	S	*	*			cis	-163.8	128.3	-8.8	119.5	0	0	0	0	106.8
402	M	40	Very low	39.6	Very low	189 Å²	189	126 Å²	126	93%	0.931	78%	0.784	S	S	*	*				84.6	127.1	78.8	-153.3	-179.2	-167.1	0	0	117.5
403	G	39	Very low	39.1	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	79%	0.79	S	S	*	*			trans	108.7	146.7	165.9	0	0	0	0	0	116.8
404	S	42.7	Very low	39.1	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	79%	0.792	S	S	*	*			cis	-170.1	137.9	-15.1	52.8	0	0	0	0	112.7
405	V	42.1	Very low	38.9	Very low	126 Å²	126	123.7 Å²	123.7	76%	0.764	79%	0.791	S	S	*	*			trans	46.7	118	138.2	-178.6	0	0	0	0	121.1
406	Q	40.1	Very low	38.8	Very low	183 Å²	183	125.5 Å²	125.5	86%	0.855	80%	0.797	S	S	*	*				179.5	172.6	106.5	-126.8	149.8	35.6	0	0	113.7
407	T	36.4	Very low	38.6	Very low	134 Å²	134	125 Å²	125	82%	0.822	79%	0.792	S	S	*	*			trans	-123.7	-159.5	-157.9	55.6	0	0	0	0	114.2
408	P	46.4	Very low	38.5	Very low	107 Å²	107	128.2 Å²	128.2	70%	0.695	80%	0.798	S	S	*	*				-122.9	177	-112.2	38.9	-19.4	0	0	0	115.8
409	V	38.3	Very low	38.1	Very low	139 Å²	139	131.5 Å²	131.5	84%	0.842	80%	0.797	S	S	*	*			trans	172.8	158.9	130.3	-86.1	0	0	0	0	113.9
410	S	38.5	Very low	37.7	Very low	106 Å²	106	132.4 Å²	132.4	74%	0.741	80%	0.799	S	S	*	*			trans	76.1	94.3	155.7	-63.5	0	0	0	0	122.1
411	S	36.3	Very low	37.4	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	80%	0.795	S	S	*	*				23.5	116.9	128.7	59.4	0	0	0	0	121.4
412	H	38.5	Very low	37.1	Very low	194 Å²	194	132 Å²	132	90%	0.898	80%	0.796	S	S	*	*				-158	162.6	126.8	-103.7	-54	0	0	0	111.9
413	V	36.5	Very low	36.9	Very low	137 Å²	137	129.5 Å²	129.5	83%	0.83	79%	0.786	S	S	*	*			trans	-94.1	131.7	-167.6	179.2	0	0	0	0	111.4
414	T	35	Very low	37.5	Very low	126 Å²	126	129.6 Å²	129.6	77%	0.773	77%	0.769	S	S	*	*			trans	-142.1	144.5	162.4	48.9	0	0	0	0	110.8
415	P	35.7	Very low	38.1	Very low	125 Å²	125	129.6 Å²	129.6	81%	0.812	76%	0.761	S	S	*	*			trans	-73.6	153.3	-175	30.5	-35.4	0	0	0	113	G417	P415-G417 PolarHBondContact O-N 2.8Å; P415-G417 VanDerWaalsContact O-N 3.17Å
416	V	34.7	Very low	39.4	Very low	143 Å²	143	126.2 Å²	126.2	87%	0.867	75%	0.752	S	S	*	*			trans	-60.9	113.8	-177.5	177.5	0	0	0	0	111.1	V418	V416-V418 PolarHBondContact O-N 2.96Å
417	G	32.1	Very low	41.6	Very low	68 Å²	68	117.9 Å²	117.9	70%	0.701	71%	0.714	S	S	*	*			trans	-68.3	118.5	176.7	0	0	0	0	0	112.4	P415 R419	P415-G417 PolarHBondContact O-N 2.8Å; P415-G417 VanDerWaalsContact O-N 3.17Å; G417-R419 PolarHBondContact O-N 3.39Å; G417-R419 VanDerWaalsContact O-N 3.14Å
418	V	37.6	Very low	44.3	Very low	138 Å²	138	112.8 Å²	112.8	84%	0.836	68%	0.682	S	S	*	*			trans	-71	105.3	171.7	-179	0	0	0	0	108.8	V416 S420	V416-V418 PolarHBondContact O-N 2.96Å; V418-S420 PolarHBondContact O-N 2.78Å
419	R	30	Very low	46.7	Very low	240 Å²	240	107.7 Å²	107.7	91%	0.906	65%	0.649	S	S	*	*			trans	-70.1	108.3	176.6	-179.1	-179.6	177.6	-175.3	1.9	110.3	G417	G417-R419 PolarHBondContact O-N 3.39Å; G417-R419 VanDerWaalsContact O-N 3.14Å
420	S	29.8	Very low	49.5	Very low	99 Å²	99	101.1 Å²	101.1	69%	0.692	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.8	135.9	170.8	-48.3	0	0	0	0	111.2	V418	V418-S420 PolarHBondContact O-N 2.78Å
421	P	34.7	Very low	52.3	Low	113 Å²	113	98.7 Å²	98.7	73%	0.734	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-67.4	152.2	171.1	29.1	-33.3	0	0	0	110.5
422	P	35.7	Very low	55.3	Low	120 Å²	120	93.9 Å²	93.9	78%	0.779	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-62.4	140.6	-176.5	25.7	-34.3	0	0	0	112.1	N424	P422-N424 PolarHBondContact O-N 3Å
423	N	35	Very low	58.1	Low	137 Å²	137	86.3 Å²	86.3	73%	0.733	52%	0.523	S	S	*	.			trans	-59.1	95.5	-178.6	-176.3	18.2	0	0	0	111.6	N425	N423-N425 PolarHBondContact OD1-ND2 3.01Å; N423-N425 PolarHBondContact OD1-OD1 2.97Å
424	N	50.8	Low	61	Low	74 Å²	74	81.7 Å²	81.7	40%	0.396	49%	0.493	S	S	.	.			trans	-124	44.9	-179	-158	30.5	0	0	0	111.3	P422 G426 S427 V499	P422-N424 PolarHBondContact O-N 3Å; N424-G426 PolarHBondContact O-N 3.24Å; N424-S427 PolarHBondContact O-N 2.76Å; N424-V499 HydrophobicContact CB-CG1 4.29Å
425	N	55.2	Low	64	Low	113 Å²	113	75.8 Å²	75.8	60%	0.604	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-1.9	-170.3	-70.9	2.6	0	0	0	115.7	N423	N423-N425 PolarHBondContact OD1-ND2 3.01Å; N423-N425 PolarHBondContact OD1-OD1 2.97Å
426	G	70.1	Confident	66.9	Low	55 Å²	55	71.1 Å²	71.1	57%	0.567	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-0.2	179.2	0	0	0	0	0	115.6	N424 P475	N424-G426 PolarHBondContact O-N 3.24Å; G426-P475 WeakPolarHBondContact O-CG 3.43Å
427	S	85.5	Confident	69.7	Low	8 Å²	8	68.6 Å²	68.6	6%	0.056	40%	0.404	C	S	.	.			trans	-76.5	130.2	-177.1	-175.8	0	0	0	0	112.4	N424 V429 V499	N424-S427 PolarHBondContact O-N 2.76Å; S427-V429 PolarHBondContact OG-N 3.22Å; S427-V429 PolarHBondContact OG-O 2.93Å; S427-V499 VanDerWaalsContact CB-CG1 3.46Å
428	T	93.4	Very high	72.6	Confident	26 Å²	26	73 Å²	73	16%	0.16	41%	0.411	C	S	.	.			trans	-86.1	-6.3	173.4	54.7	0	0	0	0	113.4	F472 P475	T428-F472 WeakPolarHBondContact CB-O 3.49Å; T428-F472 PolarHBondContact O-N 3.46Å; T428-P475 HydrophobicContact CG2-CG 3.84Å
429	V	96.8	Very high	75.2	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123	-172.8	-173.1	0	0	0	0	111	S427 L469 I470 Q471 S500 H502 V505	S427-V429 PolarHBondContact OG-N 3.22Å; S427-V429 PolarHBondContact OG-O 2.93Å; V429-L469 HydrophobicContact CG1-CB 4.31Å; V429-L469 HydrophobicContact CG1-CD2 4.42Å; V429-I470 CarbonylContact C-O 3.51Å; V429-I470 WeakPolarHBondContact CA-O 3.4Å; V429-Q471 HydrophobicContact CG2-CB 4.04Å; V429-Q471 HydrophobicContact CG2-CG 3.84Å; V429-S500 WeakPolarHBondContact O-CB 3.43Å; V429-S500 PolarHBondContact O-N 3.23Å; V429-H502 WeakPolarHBondContact CB-O 3.5Å; V429-H502 WeakPolarHBondContact CG2-O 3.46Å; V429-V505 HydrophobicContact CG1-CG2 4Å
430	L	97.9	Very high	78.2	Confident	1 Å²	1	62 Å²	62	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.8	169	-56.1	-178.9	0	0	0	110.3	F449 L469 I470 F472 A478 A481 L482 I497 A498	L430-F449 HydrophobicContact CD1-CD1 4.39Å; L430-F449 HydrophobicContact CD1-CE1 4.15Å; L430-L469 WeakPolarHBondContact O-CA 3.22Å; L430-I470 PolarHBondContact N-O 3.42Å; L430-I470 PolarHBondContact O-N 2.83Å; L430-F472 HydrophobicContact CD1-CE2 3.83Å; L430-F472 HydrophobicContact CG-CE2 4.36Å; L430-A478 WeakPolarHBondContact CD1-O 3.49Å; L430-A478 HydrophobicContact CD2-CB 4.13Å; L430-A478 HydrophobicContact CG-CB 4.19Å; L430-A481 HydrophobicContact CD1-CB 4.08Å; L430-L482 HydrophobicContact CD1-CB 4.39Å; L430-L482 HydrophobicContact CD2-CB 4.21Å; L430-L482 HydrophobicContact CD2-CD1 4.47Å; L430-I497 HydrophobicContact CB-CG2 4.05Å; L430-I497 HydrophobicContact CD1-CG2 3.9Å; L430-I497 HydrophobicContact CG-CG2 4.4Å; L430-A498 WeakPolarHBondContact CA-O 3.46Å
431	I	97.8	Very high	81.3	Confident	55 Å²	55	62.3 Å²	62.3	28%	0.282	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.8	160.7	-173.7	168.1	0	0	0	108.4	T467 A468 L469 I497 A498	I431-T467 HydrophobicContact CD1-CG2 3.91Å; I431-T467 HydrophobicContact CG1-CG2 3.93Å; I431-A468 WeakPolarHBondContact CA-O 3.49Å; I431-L469 HydrophobicContact CB-CD2 3.78Å; I431-L469 HydrophobicContact CD1-CD2 4.21Å; I431-L469 HydrophobicContact CG1-CD2 3.91Å; I431-I497 WeakPolarHBondContact O-CA 3.38Å; I431-A498 HydrophobicContact CG2-CB 3.98Å; I431-A498 PolarHBondContact N-O 3.23Å; I431-A498 PolarHBondContact O-N 3.3Å
432	V	98.2	Very high	84.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.4	176.2	-173.8	0	0	0	0	107.1	L435 F449 T467 A468 I470 M495 K496 I497	V432-L435 HydrophobicContact CB-CD1 4.29Å; V432-L435 HydrophobicContact CG1-CD1 3.97Å; V432-L435 HydrophobicContact CG1-CD2 3.77Å; V432-L435 HydrophobicContact CG1-CG 3.95Å; V432-F449 HydrophobicContact CG1-CZ 4.37Å; V432-F449 HydrophobicContact CG2-CE1 3.89Å; V432-F449 HydrophobicContact CG2-CE2 4.31Å; V432-F449 HydrophobicContact CG2-CZ 3.49Å; V432-F449 VanDerWaalsContact CG2-CZ 3.49Å; V432-T467 CarbonylContact O-C 3.54Å; V432-T467 VanDerWaalsContact O-CA 3.25Å; V432-T467 WeakPolarHBondContact O-CA 3.38Å; V432-A468 PolarHBondContact N-O 3.14Å; V432-A468 PolarHBondContact O-N 3.25Å; V432-I470 HydrophobicContact CG2-CD1 3.77Å; V432-I470 HydrophobicContact CG2-CG1 4.29Å; V432-M495 HydrophobicContact CG1-CB 4.34Å; V432-M495 HydrophobicContact CG1-CG 4.48Å; V432-M495 HydrophobicContact CG1-SD 4.44Å; V432-K496 CarbonylContact C-O 3.1Å; V432-I497 HydrophobicContact CG1-CG1 4.22Å; V432-I497 HydrophobicContact CG2-CG1 4.29Å; V432-I497 HydrophobicContact CG2-CG2 4.23Å
433	S	98.1	Very high	86.9	Confident	35 Å²	35	54.4 Å²	54.4	25%	0.245	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	168.9	-179	58	0	0	0	0	111.2	L435 D466 K496	S433-L435 VanDerWaalsContact C-N 3.32Å; S433-D466 CarbonylContact C-O 3.28Å; S433-D466 VanDerWaalsContact CA-O 3.29Å; S433-D466 WeakPolarHBondContact CA-O 3.21Å; S433-K496 PolarHBondContact N-O 2.91Å; S433-K496 PolarHBondContact O-N 3.39Å; S433-K496 WeakPolarHBondContact OG-CB 3.41Å; S433-K496 PolarHBondContact OG-O 3.25Å; S433-K496 VanDerWaalsContact OG-O 3.04Å
434	N	97.8	Very high	89.8	Confident	39 Å²	39	47.9 Å²	47.9	21%	0.209	25%	0.254	C	S	.	.	S	Bend	trans	64.7	29.3	-172.5	-164.2	46.1	0	0	0	114.2	D466 K493 P494 K496	N434-D466 PolarHBondContact N-O 3.01Å; N434-D466 PolarHBondContact N-OD2 3.39Å; N434-K493 WeakPolarHBondContact O-CB 3.47Å; N434-K493 VanDerWaalsContact O-CE 3.24Å; N434-K493 WeakPolarHBondContact O-CE 3.37Å; N434-K493 WeakPolarHBondContact OD1-CE 3.42Å; N434-K493 PolarHBondContact OD1-NZ 2.91Å; N434-P494 PolarHBondContact ND2-O 3.44Å; N434-K496 HydrophobicContact CB-CD 4.4Å; N434-K496 HydrophobicContact CB-CG 4.4Å
435	L	97.7	Very high	92	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.235	C	C	.	.			trans	-71.1	161	173.4	-62.4	160.5	0	0	0	111.6	V432 S433 E437 V440 L445 D466 A468 L490 K493 M495	V432-L435 HydrophobicContact CB-CD1 4.29Å; V432-L435 HydrophobicContact CG1-CD1 3.97Å; V432-L435 HydrophobicContact CG1-CD2 3.77Å; V432-L435 HydrophobicContact CG1-CG 3.95Å; S433-L435 VanDerWaalsContact C-N 3.32Å; L435-E437 PolarHBondContact O-N 3.45Å; L435-V440 HydrophobicContact CB-CB 4.36Å; L435-V440 HydrophobicContact CB-CG1 4.17Å; L435-V440 HydrophobicContact CB-CG2 4.35Å; L435-V440 HydrophobicContact CD1-CG2 4.21Å; L435-V440 HydrophobicContact CD2-CG2 4.35Å; L435-L445 HydrophobicContact CD1-CD1 4.35Å; L435-L445 HydrophobicContact CD2-CD2 4.07Å; L435-D466 VanDerWaalsContact CB-O 3.3Å; L435-D466 WeakPolarHBondContact CB-O 3.38Å; L435-D466 WeakPolarHBondContact CG-O 3.45Å; L435-D466 PolarHBondContact N-O 2.95Å; L435-D466 WeakPolarHBondContact O-CB 3.46Å; L435-A468 HydrophobicContact CD1-CB 3.82Å; L435-L490 HydrophobicContact CD2-CD2 4.08Å; L435-K493 WeakPolarHBondContact O-CE 3.34Å; L435-K493 PolarHBondContact O-NZ 3.18Å; L435-M495 HydrophobicContact CD2-CG 4.11Å; L435-M495 HydrophobicContact CD2-SD 4.24Å
436	N	95.7	Very high	94.1	Very high	27 Å²	27	39.3 Å²	39.3	14%	0.144	21%	0.208	C	C	.	.			trans	-82.2	108.9	173.9	-174.1	-45.6	0	0	0	109.5	D438 R439 V440 W491 K493	N436-D438 VanDerWaalsContact C-N 3.26Å; N436-D438 PolarHBondContact O-N 3.17Å; N436-D438 PolarHBondContact OD1-N 3.01Å; N436-R439 HydrophobicContact CB-CB 4.43Å; N436-R439 PolarHBondContact O-N 3.16Å; N436-R439 PolarHBondContact OD1-N 3.45Å; N436-V440 VanDerWaalsContact O-CB 3.29Å; N436-V440 WeakPolarHBondContact O-CB 2.93Å; N436-V440 WeakPolarHBondContact O-CG1 3.33Å; N436-V440 PolarHBondContact O-N 3.5Å; N436-W491 HydrophobicContact CB-CB 3.98Å; N436-W491 HydrophobicContact CB-CE3 4.14Å; N436-W491 PolarHBondContact ND2-O 2.9Å; N436-K493 HydrophobicContact CB-CD 4.17Å
437	E	93.5	Very high	95.3	Very high	90 Å²	90	37.5 Å²	37.5	42%	0.421	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.1	-168.6	-53.4	-155.3	-173.6	0	0	114	L435 K465 D466	L435-E437 PolarHBondContact O-N 3.45Å; E437-K465 HydrophobicContact CB-CB 3.99Å; E437-K465 HydrophobicContact CG-CB 4.12Å; E437-K465 WeakPolarHBondContact OE2-CB 3.32Å; E437-D466 HydrophobicContact CG-CB 3.94Å; E437-D466 WeakPolarHBondContact OE1-CB 3.47Å; E437-D466 PolarHBondContact OE1-N 3.4Å
438	D	92.8	Very high	95.9	Very high	160 Å²	160	37.1 Å²	37.1	86%	0.856	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-23.3	-177.2	-55.5	-54.2	0	0	0	112.6	N436	N436-D438 VanDerWaalsContact C-N 3.26Å; N436-D438 PolarHBondContact O-N 3.17Å; N436-D438 PolarHBondContact OD1-N 3.01Å
439	R	92.5	Very high	96.1	Very high	134 Å²	134	35.9 Å²	35.9	51%	0.506	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-18	-176.5	-64.3	-170.4	-179.7	-156.8	5.1	114.5	N436 Y441 W491	N436-R439 HydrophobicContact CB-CB 4.43Å; N436-R439 PolarHBondContact O-N 3.16Å; N436-R439 PolarHBondContact OD1-N 3.45Å; R439-Y441 VanDerWaalsContact O-CD1 3.27Å; R439-Y441 WeakPolarHBondContact O-CD1 3.12Å; R439-W491 HydrophobicContact CB-CD2 3.64Å; R439-W491 HydrophobicContact CB-CE3 3.66Å; R439-W491 HydrophobicContact CB-CG 4.09Å; R439-W491 HydrophobicContact CB-CH2 4.39Å; R439-W491 HydrophobicContact CB-CZ2 4.39Å; R439-W491 HydrophobicContact CB-CZ3 4.06Å; R439-W491 HydrophobicContact CG-CG 4.49Å; R439-W491 WeakPolarHBondContact O-CH2 3.49Å; R439-W491 WeakPolarHBondContact O-CZ3 3.21Å
440	V	94.2	Very high	96.1	Very high	15 Å²	15	36.3 Å²	36.3	9%	0.091	18%	0.179	C	C	.	.			trans	-82.2	128.5	-175.4	73.4	0	0	0	0	113	L435 N436 L445 I460 W491	L435-V440 HydrophobicContact CB-CB 4.36Å; L435-V440 HydrophobicContact CB-CG1 4.17Å; L435-V440 HydrophobicContact CB-CG2 4.35Å; L435-V440 HydrophobicContact CD1-CG2 4.21Å; L435-V440 HydrophobicContact CD2-CG2 4.35Å; N436-V440 VanDerWaalsContact O-CB 3.29Å; N436-V440 WeakPolarHBondContact O-CB 2.93Å; N436-V440 WeakPolarHBondContact O-CG1 3.33Å; N436-V440 PolarHBondContact O-N 3.5Å; V440-L445 HydrophobicContact CG2-CD1 3.87Å; V440-L445 HydrophobicContact CG2-CD2 4.01Å; V440-L445 HydrophobicContact CG2-CG 3.86Å; V440-I460 HydrophobicContact CG1-CD1 4.26Å; V440-I460 HydrophobicContact CG2-CD1 4.17Å; V440-W491 HydrophobicContact CB-CZ3 3.94Å; V440-W491 HydrophobicContact CG2-CZ3 4.22Å
441	Y	94.5	Very high	96	Very high	104 Å²	104	36.5 Å²	36.5	41%	0.408	18%	0.181	S	C	.	.			trans	-139.7	158.8	174.5	58.9	-81.8	0	0	0	110.1	R439 D443 A444 L445	R439-Y441 VanDerWaalsContact O-CD1 3.27Å; R439-Y441 WeakPolarHBondContact O-CD1 3.12Å; Y441-D443 VanDerWaalsContact C-N 3.31Å; Y441-D443 HydrophobicContact CD2-CB 3.82Å; Y441-D443 HydrophobicContact CE2-CB 3.74Å; Y441-D443 PolarHBondContact O-N 2.95Å; Y441-A444 HydrophobicContact CD1-CB 4.1Å; Y441-A444 HydrophobicContact CD2-CB 4.27Å; Y441-A444 HydrophobicContact CE1-CB 3.76Å; Y441-A444 HydrophobicContact CE2-CB 3.96Å; Y441-A444 HydrophobicContact CG-CB 4.32Å; Y441-A444 PolarHBondContact O-N 3.01Å; Y441-L445 PolarHBondContact O-N 3.35Å
442	P	93.8	Very high	95.9	Very high	10 Å²	10	33.9 Å²	33.9	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-36.3	-170.5	-29.9	39.9	0	0	0	114.5	A444 L445 F446 V458 I460 G515 K518 Y520	P442-A444 VanDerWaalsContact C-N 3.34Å; P442-A444 PolarHBondContact O-N 3.09Å; P442-L445 PolarHBondContact O-N 2.85Å; P442-F446 WeakPolarHBondContact O-CB 3.38Å; P442-F446 PolarHBondContact O-N 3.27Å; P442-V458 HydrophobicContact CB-CB 4.11Å; P442-V458 HydrophobicContact CB-CG1 3.96Å; P442-I460 HydrophobicContact CG-CD1 4.01Å; P442-G515 WeakPolarHBondContact CD-O 3.36Å; P442-G515 VanDerWaalsContact CG-O 3.25Å; P442-G515 WeakPolarHBondContact CG-O 3.44Å; P442-K518 HydrophobicContact CB-CB 4.09Å; P442-Y520 VanDerWaalsContact CB-OH 3.31Å; P442-Y520 WeakPolarHBondContact CB-OH 3.48Å; P442-Y520 PolarHBondContact O-OH 2.66Å
443	D	93.3	Very high	95.6	Very high	57 Å²	57	33.9 Å²	33.9	31%	0.305	17%	0.167	S	C	.	.	H	α-helix	trans	-68.8	-29.9	-178.3	-68.6	-23.5	0	0	0	113	Y441 T447 K518 Y520	Y441-D443 VanDerWaalsContact C-N 3.31Å; Y441-D443 HydrophobicContact CD2-CB 3.82Å; Y441-D443 HydrophobicContact CE2-CB 3.74Å; Y441-D443 PolarHBondContact O-N 2.95Å; D443-T447 VanDerWaalsContact O-CB 3.27Å; D443-T447 WeakPolarHBondContact O-CB 3.44Å; D443-T447 PolarHBondContact O-N 3.47Å; D443-T447 PolarHBondContact O-OG1 3.36Å; D443-K518 WeakPolarHBondContact OD1-CD 3.38Å; D443-K518 VanDerWaalsContact OD1-CE 3.27Å; D443-K518 WeakPolarHBondContact OD1-CE 3.44Å; D443-K518 IonicContact OD1-NZ 3.78Å; D443-K518 PolarHBondContact OD1-NZ 3.48Å; D443-K518 IonicContact OD2-NZ 2.75Å; D443-K518 PolarHBondContact OD2-NZ 2.96Å; D443-Y520 WeakPolarHBondContact CA-OH 3.21Å; D443-Y520 PolarHBondContact N-OH 2.77Å; D443-Y520 WeakPolarHBondContact OD1-CE1 3.41Å; D443-Y520 VanDerWaalsContact OD1-CZ 3.27Å; D443-Y520 PolarHBondContact OD1-OH 3.21Å
444	A	96.4	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-45.6	171.9	0	0	0	0	0	111.6	Y441 P442 T447 L448 W491 I598	Y441-A444 HydrophobicContact CD1-CB 4.1Å; Y441-A444 HydrophobicContact CD2-CB 4.27Å; Y441-A444 HydrophobicContact CE1-CB 3.76Å; Y441-A444 HydrophobicContact CE2-CB 3.96Å; Y441-A444 HydrophobicContact CG-CB 4.32Å; Y441-A444 PolarHBondContact O-N 3.01Å; P442-A444 VanDerWaalsContact C-N 3.34Å; P442-A444 PolarHBondContact O-N 3.09Å; A444-T447 PolarHBondContact O-N 3.42Å; A444-L448 WeakPolarHBondContact O-CB 3.38Å; A444-L448 PolarHBondContact O-N 2.99Å; A444-W491 HydrophobicContact CB-CH2 3.8Å; A444-W491 HydrophobicContact CB-CZ2 4.46Å; A444-I598 HydrophobicContact CB-CD1 4.48Å; A444-I598 HydrophobicContact CB-CG2 3.7Å
445	L	97.9	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-44.7	176.6	-64.9	177.7	0	0	0	111.3	L435 V440 Y441 P442 T447 L448 F449 V458 I460 A468 I470 L490	L435-L445 HydrophobicContact CD1-CD1 4.35Å; L435-L445 HydrophobicContact CD2-CD2 4.07Å; V440-L445 HydrophobicContact CG2-CD1 3.87Å; V440-L445 HydrophobicContact CG2-CD2 4.01Å; V440-L445 HydrophobicContact CG2-CG 3.86Å; Y441-L445 PolarHBondContact O-N 3.35Å; P442-L445 PolarHBondContact O-N 2.85Å; L445-T447 VanDerWaalsContact C-N 3.28Å; L445-T447 PolarHBondContact O-N 3.39Å; L445-L448 PolarHBondContact O-N 2.71Å; L445-F449 HydrophobicContact CD2-CE2 4.11Å; L445-F449 VanDerWaalsContact O-CB 3.29Å; L445-F449 WeakPolarHBondContact O-CB 3.34Å; L445-F449 VanDerWaalsContact O-CD2 3.31Å; L445-F449 WeakPolarHBondContact O-CD2 3.32Å; L445-F449 PolarHBondContact O-N 3.15Å; L445-V458 HydrophobicContact CB-CG1 3.98Å; L445-V458 HydrophobicContact CB-CG2 4.48Å; L445-V458 HydrophobicContact CD1-CG1 3.82Å; L445-I460 HydrophobicContact CD1-CD1 4.36Å; L445-I460 HydrophobicContact CD1-CG1 4.06Å; L445-A468 HydrophobicContact CD1-CB 3.66Å; L445-I470 HydrophobicContact CB-CD1 3.99Å; L445-I470 HydrophobicContact CD1-CD1 4.38Å; L445-I470 HydrophobicContact CD2-CD1 4.4Å; L445-I470 HydrophobicContact CG-CD1 4.5Å; L445-L490 HydrophobicContact CD2-CD2 4.39Å
446	F	97.5	Very high	95.1	Very high	8 Å²	8	31 Å²	31	4%	0.035	15%	0.15	C	C	.	.	H	α-helix	trans	-55	-44.2	172.9	167.7	-97.3	0	0	0	111.7	P442 G450 V455 V458 Y520 S523 L525 H526	P442-F446 WeakPolarHBondContact O-CB 3.38Å; P442-F446 PolarHBondContact O-N 3.27Å; F446-G450 WeakPolarHBondContact O-CA 3.47Å; F446-G450 PolarHBondContact O-N 2.72Å; F446-V455 HydrophobicContact CD2-CB 3.92Å; F446-V455 HydrophobicContact CD2-CG1 4.14Å; F446-V455 HydrophobicContact CE2-CB 4.35Å; F446-V458 HydrophobicContact CB-CG2 4.27Å; F446-Y520 HydrophobicContact CB-CD1 4.18Å; F446-Y520 HydrophobicContact CB-CD2 4.35Å; F446-Y520 HydrophobicContact CB-CE1 3.72Å; F446-Y520 HydrophobicContact CB-CE2 3.92Å; F446-Y520 HydrophobicContact CB-CG 4.46Å; F446-Y520 AromaticContact CD1-CD1 3.96Å; F446-Y520 HydrophobicContact CD1-CD1 3.96Å; F446-Y520 AromaticContact CD1-CE1 3.88Å; F446-Y520 HydrophobicContact CD1-CE1 3.88Å; F446-Y520 AromaticContact CD2-CD1 3.34Å; F446-Y520 HydrophobicContact CD2-CD1 3.34Å; F446-Y520 AromaticContact CD2-CD2 3.79Å; F446-Y520 HydrophobicContact CD2-CD2 3.79Å; F446-Y520 AromaticContact CD2-CE1 3.8Å; F446-Y520 HydrophobicContact CD2-CE1 3.8Å; F446-Y520 HydrophobicContact CD2-CE2 4.22Å; F446-Y520 AromaticContact CD2-CG 3.32Å; F446-Y520 HydrophobicContact CD2-CG 3.32Å; F446-Y520 HydrophobicContact CE1-CD1 4.24Å; F446-Y520 AromaticContact CE2-CD1 3.66Å; F446-Y520 HydrophobicContact CE2-CD1 3.66Å; F446-Y520 HydrophobicContact CE2-CE1 4.46Å; F446-Y520 AromaticContact CE2-CG 3.7Å; F446-Y520 HydrophobicContact CE2-CG 3.7Å; F446-Y520 AromaticContact CG-CD1 3.52Å; F446-Y520 HydrophobicContact CG-CD1 3.52Å; F446-Y520 HydrophobicContact CG-CD2 4.28Å; F446-Y520 AromaticContact CG-CE1 3.48Å; F446-Y520 HydrophobicContact CG-CE1 3.48Å; F446-Y520 VanDerWaalsContact CG-CE1 3.48Å; F446-Y520 HydrophobicContact CG-CE2 4.26Å; F446-Y520 AromaticContact CG-CG 3.93Å; F446-Y520 HydrophobicContact CG-CG 3.93Å; F446-Y520 AromaticContact CG-CZ 3.87Å; F446-Y520 HydrophobicContact CZ-CD1 4.11Å; F446-S523 WeakPolarHBondContact CZ-OG 3.27Å; F446-L525 HydrophobicContact CE1-CB 3.89Å; F446-L525 HydrophobicContact CE1-CD1 4.07Å; F446-L525 HydrophobicContact CZ-CB 4Å; F446-H526 AromaticContact CE2-CE1 3.71Å
447	T	96.2	Very high	95.1	Very high	17 Å²	17	32.3 Å²	32.3	10%	0.104	15%	0.152	C	C	.	.	H	α-helix	trans	-69	-47.2	-178.1	-62.3	0	0	0	0	112.2	D443 A444 L445 L597 H601	D443-T447 VanDerWaalsContact O-CB 3.27Å; D443-T447 WeakPolarHBondContact O-CB 3.44Å; D443-T447 PolarHBondContact O-N 3.47Å; D443-T447 PolarHBondContact O-OG1 3.36Å; A444-T447 PolarHBondContact O-N 3.42Å; L445-T447 VanDerWaalsContact C-N 3.28Å; L445-T447 PolarHBondContact O-N 3.39Å; T447-L597 HydrophobicContact CG2-CD2 4.13Å; T447-H601 HydrophobicContact CG2-CB 3.77Å
448	L	98	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-49.6	-179.1	179	59	0	0	0	112.2	A444 L445 G450 V451 L485 L490 M495 I594 I598 F615	A444-L448 WeakPolarHBondContact O-CB 3.38Å; A444-L448 PolarHBondContact O-N 2.99Å; L445-L448 PolarHBondContact O-N 2.71Å; L448-G450 VanDerWaalsContact C-N 3.27Å; L448-G450 PolarHBondContact O-N 2.86Å; L448-V451 WeakPolarHBondContact O-CG2 3.39Å; L448-V451 PolarHBondContact O-N 3.35Å; L448-L485 HydrophobicContact CD1-CD2 4.04Å; L448-L485 HydrophobicContact CD2-CD2 4.43Å; L448-L485 HydrophobicContact CG-CD1 4.08Å; L448-L485 HydrophobicContact CG-CD2 4.21Å; L448-L490 HydrophobicContact CD2-CD2 4.2Å; L448-M495 HydrophobicContact CD2-CE 3.98Å; L448-M495 HydrophobicContact CD2-SD 4.28Å; L448-I594 HydrophobicContact CD1-CG2 4.06Å; L448-I594 HydrophobicContact CD2-CG2 4.05Å; L448-I598 HydrophobicContact CB-CD1 4.21Å; L448-I598 HydrophobicContact CB-CG1 4.14Å; L448-I598 HydrophobicContact CD2-CD1 4.36Å; L448-F615 HydrophobicContact CD1-CE2 4.32Å; L448-F615 HydrophobicContact CD1-CZ 4.29Å
449	F	98	Very high	95.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71.4	-27.5	178.4	-74.9	-105.3	0	0	0	111.4	L430 V432 L445 V451 Y452 G453 V455 I470 F472 A481 L485 M495 I497	L430-F449 HydrophobicContact CD1-CD1 4.39Å; L430-F449 HydrophobicContact CD1-CE1 4.15Å; V432-F449 HydrophobicContact CG1-CZ 4.37Å; V432-F449 HydrophobicContact CG2-CE1 3.89Å; V432-F449 HydrophobicContact CG2-CE2 4.31Å; V432-F449 HydrophobicContact CG2-CZ 3.49Å; V432-F449 VanDerWaalsContact CG2-CZ 3.49Å; L445-F449 HydrophobicContact CD2-CE2 4.11Å; L445-F449 VanDerWaalsContact O-CB 3.29Å; L445-F449 WeakPolarHBondContact O-CB 3.34Å; L445-F449 VanDerWaalsContact O-CD2 3.31Å; L445-F449 WeakPolarHBondContact O-CD2 3.32Å; L445-F449 PolarHBondContact O-N 3.15Å; F449-V451 PolarHBondContact O-N 3.17Å; F449-V451 VanDerWaalsContact O-N 3.15Å; F449-Y452 PolarHBondContact O-N 3.04Å; F449-G453 PolarHBondContact O-N 3.37Å; F449-V455 HydrophobicContact CB-CG2 3.8Å; F449-I470 HydrophobicContact CB-CD1 4.4Å; F449-I470 HydrophobicContact CB-CG2 4.28Å; F449-I470 HydrophobicContact CD1-CD1 3.74Å; F449-I470 HydrophobicContact CD1-CG2 4.29Å; F449-I470 HydrophobicContact CD2-CD1 3.44Å; F449-I470 VanDerWaalsContact CD2-CD1 3.44Å; F449-I470 HydrophobicContact CE1-CD1 3.8Å; F449-I470 HydrophobicContact CE2-CD1 3.51Å; F449-I470 HydrophobicContact CG-CD1 3.57Å; F449-I470 HydrophobicContact CG-CG2 4.32Å; F449-I470 HydrophobicContact CZ-CD1 3.7Å; F449-F472 HydrophobicContact CB-CZ 3.85Å; F449-F472 HydrophobicContact CD1-CE2 4.09Å; F449-F472 AromaticContact CD1-CZ 3.96Å; F449-F472 HydrophobicContact CD1-CZ 3.96Å; F449-F472 HydrophobicContact CG-CZ 4.42Å; F449-A481 HydrophobicContact CD1-CB 4.06Å; F449-L485 HydrophobicContact CD1-CD1 3.86Å; F449-L485 HydrophobicContact CD2-CD1 3.96Å; F449-L485 HydrophobicContact CE1-CD1 3.79Å; F449-L485 HydrophobicContact CE2-CD1 3.9Å; F449-L485 HydrophobicContact CG-CD1 3.94Å; F449-L485 HydrophobicContact CZ-CD1 3.8Å; F449-M495 HydrophobicContact CE2-SD 4.44Å; F449-I497 HydrophobicContact CE1-CD1 3.91Å; F449-I497 HydrophobicContact CZ-CD1 3.73Å
450	G	96	Very high	95.4	Very high	8 Å²	8	16.5 Å²	16.5	8%	0.082	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.7	174.3	0	0	0	0	0	115.3	F446 L448 Y452 G453 R527	F446-G450 WeakPolarHBondContact O-CA 3.47Å; F446-G450 PolarHBondContact O-N 2.72Å; L448-G450 VanDerWaalsContact C-N 3.27Å; L448-G450 PolarHBondContact O-N 2.86Å; G450-Y452 VanDerWaalsContact C-N 3.25Å; G450-G453 VanDerWaalsContact CA-O 3.31Å; G450-G453 WeakPolarHBondContact CA-O 3.12Å; G450-R527 WeakPolarHBondContact O-CD 3.28Å
451	V	95.6	Very high	95.2	Very high	6 Å²	6	19 Å²	19	4%	0.036	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25.6	170.5	-177.1	0	0	0	0	111.6	L448 F449 F528 L597 F615	L448-V451 WeakPolarHBondContact O-CG2 3.39Å; L448-V451 PolarHBondContact O-N 3.35Å; F449-V451 PolarHBondContact O-N 3.17Å; F449-V451 VanDerWaalsContact O-N 3.15Å; V451-F528 WeakPolarHBondContact O-CZ 3.39Å; V451-L597 HydrophobicContact CG2-CD1 3.86Å; V451-L597 HydrophobicContact CG2-CD2 3.78Å; V451-L597 HydrophobicContact CG2-CG 4.44Å; V451-F615 HydrophobicContact CG1-CD2 4.22Å
452	Y	95.9	Very high	94.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-13.1	-172.5	-57.3	-75.6	0	0	0	113.9	F449 G450 T480 A481 F484 L485 I539 Y540 P542 F615	F449-Y452 PolarHBondContact O-N 3.04Å; G450-Y452 VanDerWaalsContact C-N 3.25Å; Y452-T480 HydrophobicContact CD1-CG2 4.22Å; Y452-A481 HydrophobicContact CD2-CB 4.39Å; Y452-A481 HydrophobicContact CG-CB 4.23Å; Y452-F484 HydrophobicContact CD1-CB 4.41Å; Y452-F484 AromaticContact CD1-CD2 3.73Å; Y452-F484 HydrophobicContact CD1-CD2 3.73Å; Y452-F484 HydrophobicContact CE1-CB 3.8Å; Y452-F484 AromaticContact CE1-CD2 3.51Å; Y452-F484 HydrophobicContact CE1-CD2 3.51Å; Y452-F484 HydrophobicContact CE1-CE2 4.47Å; Y452-F484 HydrophobicContact CE1-CG 4.09Å; Y452-L485 HydrophobicContact CD2-CD1 3.85Å; Y452-L485 HydrophobicContact CD2-CG 4.16Å; Y452-L485 HydrophobicContact CE2-CD1 3.68Å; Y452-L485 HydrophobicContact CE2-CD2 3.72Å; Y452-L485 HydrophobicContact CE2-CG 3.63Å; Y452-I539 HydrophobicContact CD1-CG2 3.46Å; Y452-I539 VanDerWaalsContact CD1-CG2 3.46Å; Y452-I539 HydrophobicContact CE1-CG2 3.95Å; Y452-I539 HydrophobicContact CG-CG2 4.49Å; Y452-Y540 WeakPolarHBondContact CE1-O 3.39Å; Y452-Y540 PolarHBondContact OH-O 3.15Å; Y452-P542 WeakPolarHBondContact OH-CD 3.47Å; Y452-P542 WeakPolarHBondContact OH-CG 3.28Å; Y452-F615 WeakPolarHBondContact OH-CD2 3.22Å; Y452-F615 VanDerWaalsContact OH-CE2 3.31Å; Y452-F615 WeakPolarHBondContact OH-CE2 3.35Å
453	G	93.3	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	178.8	177.3	178.5	0	0	0	0	0	113.6	F449 G450 V455 F528	F449-G453 PolarHBondContact O-N 3.37Å; G450-G453 VanDerWaalsContact CA-O 3.31Å; G450-G453 WeakPolarHBondContact CA-O 3.12Å; G453-V455 PolarHBondContact O-N 3.04Å; G453-F528 VanDerWaalsContact CA-CD2 3.49Å; G453-F528 VanDerWaalsContact CA-CE2 3.48Å; G453-F528 VanDerWaalsContact N-CE2 3.34Å
454	D	93.2	Very high	94.6	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.032	14%	0.14	C	C	.	.			trans	-86.1	96	178.3	-70.9	-19.8	0	0	0	109.4	T456 N473 H526 R527 F528 R529	D454-T456 PolarHBondContact O-N 3.43Å; D454-N473 HydrophobicContact CB-CB 4.19Å; D454-N473 WeakPolarHBondContact O-CB 2.95Å; D454-N473 PolarHBondContact O-N 2.8Å; D454-H526 VanDerWaalsContact CA-ND1 3.33Å; D454-H526 WeakPolarHBondContact CA-ND1 3.06Å; D454-H526 VanDerWaalsContact CB-ND1 3.33Å; D454-H526 WeakPolarHBondContact CB-ND1 3.33Å; D454-H526 WeakPolarHBondContact OD1-CB 3.4Å; D454-H526 IonicContact OD1-CG 3.59Å; D454-H526 IonicContact OD1-ND1 3.24Å; D454-H526 PolarHBondContact OD1-ND1 2.77Å; D454-R527 PolarHBondContact OD1-N 3.15Å; D454-F528 WeakPolarHBondContact OD1-CB 3.42Å; D454-F528 WeakPolarHBondContact OD1-CD2 3.49Å; D454-F528 PolarHBondContact OD1-N 2.81Å; D454-F528 WeakPolarHBondContact OD2-CB 3.27Å; D454-R529 WeakPolarHBondContact OD2-CG 3.46Å; D454-R529 PolarHBondContact OD2-N 3.16Å
455	V	96	Very high	94.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	115.5	176.3	175	0	0	0	0	111	F446 F449 G453 V458 I470 Q471 F472 Y520 H526	F446-V455 HydrophobicContact CD2-CB 3.92Å; F446-V455 HydrophobicContact CD2-CG1 4.14Å; F446-V455 HydrophobicContact CE2-CB 4.35Å; F449-V455 HydrophobicContact CB-CG2 3.8Å; G453-V455 PolarHBondContact O-N 3.04Å; V455-V458 HydrophobicContact CG1-CG2 3.69Å; V455-I470 HydrophobicContact CG1-CG2 3.78Å; V455-I470 HydrophobicContact CG2-CG2 4.03Å; V455-Q471 CarbonylContact C-O 3.59Å; V455-Q471 WeakPolarHBondContact CA-O 3.06Å; V455-F472 HydrophobicContact CG2-CD1 4.07Å; V455-F472 HydrophobicContact CG2-CE1 3.7Å; V455-F472 HydrophobicContact CG2-CE2 4.47Å; V455-F472 HydrophobicContact CG2-CZ 3.94Å; V455-Y520 VanDerWaalsContact O-CB 3.32Å; V455-Y520 WeakPolarHBondContact O-CB 3.28Å; V455-H526 PolarHBondContact N-CE1 2.96Å; V455-H526 PolarHBondContact O-CE1 3.39Å; V455-H526 PolarHBondContact O-NE2 3.32Å
456	T	94	Very high	94.3	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.055	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-37.3	179.3	53.1	0	0	0	0	112.5	D454 Q471 N473 Y520 T521	D454-T456 PolarHBondContact O-N 3.43Å; T456-Q471 PolarHBondContact N-O 3.05Å; T456-Q471 WeakPolarHBondContact OG1-CG 3.1Å; T456-Q471 PolarHBondContact OG1-O 3.46Å; T456-N473 HydrophobicContact CG2-CB 3.94Å; T456-Y520 CarbonylContact O-C 3.48Å; T456-Y520 WeakPolarHBondContact O-CA 3.32Å; T456-Y520 PolarHBondContact O-N 3.28Å; T456-T521 PolarHBondContact O-N 3.21Å; T456-T521 PolarHBondContact O-OG1 3.16Å
457	R	94.3	Very high	94.3	Very high	54 Å²	54	35 Å²	35	20%	0.204	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.3	-178.6	-66.8	-176.4	175.4	147.9	9.1	112.6	Q471 V505 D519	R457-Q471 HydrophobicContact CB-CB 4.26Å; R457-Q471 PolarHBondContact N-O 3.4Å; R457-Q471 PolarHBondContact O-N 2.88Å; R457-V505 HydrophobicContact CB-CB 3.87Å; R457-V505 HydrophobicContact CB-CG1 3.86Å; R457-V505 WeakPolarHBondContact CD-O 3.38Å; R457-V505 PolarHBondContact NH1-O 2.88Å; R457-V505 VanDerWaalsContact NH1-O 3.09Å; R457-D519 IonicContact CZ-OD2 3.35Å; R457-D519 IonicContact NE-OD2 2.74Å; R457-D519 PolarHBondContact NE-OD2 2.92Å; R457-D519 IonicContact NH2-OD2 3.05Å; R457-D519 PolarHBondContact NH2-OD2 3.31Å
458	V	95.6	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.4	169.9	-179.8	0	0	0	0	109.4	P442 L445 F446 V455 L469 I470 T517 K518 Y520	P442-V458 HydrophobicContact CB-CB 4.11Å; P442-V458 HydrophobicContact CB-CG1 3.96Å; L445-V458 HydrophobicContact CB-CG1 3.98Å; L445-V458 HydrophobicContact CB-CG2 4.48Å; L445-V458 HydrophobicContact CD1-CG1 3.82Å; F446-V458 HydrophobicContact CB-CG2 4.27Å; V455-V458 HydrophobicContact CG1-CG2 3.69Å; V458-L469 WeakPolarHBondContact CA-O 3.48Å; V458-I470 HydrophobicContact CG1-CG1 4.41Å; V458-I470 HydrophobicContact CG2-CG1 4.48Å; V458-I470 HydrophobicContact CG2-CG2 4.49Å; V458-T517 VanDerWaalsContact O-CA 3.32Å; V458-T517 WeakPolarHBondContact O-CA 3.31Å; V458-K518 PolarHBondContact N-O 3.37Å; V458-K518 VanDerWaalsContact N-O 3.11Å; V458-K518 PolarHBondContact O-N 3.36Å; V458-Y520 HydrophobicContact CB-CE2 3.95Å; V458-Y520 HydrophobicContact CG2-CD2 4.27Å; V458-Y520 HydrophobicContact CG2-CE2 3.77Å
459	K	94.8	Very high	94.4	Very high	49 Å²	49	34.8 Å²	34.8	21%	0.213	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	105.2	177.1	174.4	164.1	-167.3	170.5	0	111.1	A468 L469 V505 Q506 L516 T517	K459-A468 CarbonylContact O-C 3.35Å; K459-A468 VanDerWaalsContact O-CA 3.23Å; K459-A468 WeakPolarHBondContact O-CA 3.34Å; K459-L469 HydrophobicContact CB-CB 4.47Å; K459-L469 PolarHBondContact N-O 2.84Å; K459-L469 PolarHBondContact O-N 3.16Å; K459-V505 HydrophobicContact CB-CG1 3.52Å; K459-V505 HydrophobicContact CD-CG1 4.09Å; K459-V505 HydrophobicContact CG-CG1 4.47Å; K459-Q506 WeakPolarHBondContact CD-O 3.48Å; K459-Q506 PolarHBondContact NZ-O 3.38Å; K459-L516 WeakPolarHBondContact CA-O 3.41Å; K459-T517 HydrophobicContact CB-CG2 3.98Å; K459-T517 HydrophobicContact CD-CG2 4.35Å; K459-T517 HydrophobicContact CG-CG2 4.29Å; K459-T517 WeakPolarHBondContact CG-OG1 3.47Å
460	I	94.4	Very high	94.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.8	167.4	-60.2	166.5	0	0	0	108.1	V440 P442 L445 F462 K465 A468 L516	V440-I460 HydrophobicContact CG1-CD1 4.26Å; V440-I460 HydrophobicContact CG2-CD1 4.17Å; P442-I460 HydrophobicContact CG-CD1 4.01Å; L445-I460 HydrophobicContact CD1-CD1 4.36Å; L445-I460 HydrophobicContact CD1-CG1 4.06Å; I460-F462 PolarHBondContact O-N 3.49Å; I460-K465 HydrophobicContact CG2-CB 4.31Å; I460-A468 HydrophobicContact CG1-CB 4.02Å; I460-L516 HydrophobicContact CB-CB 4.19Å; I460-L516 HydrophobicContact CB-CD2 4.12Å; I460-L516 HydrophobicContact CG2-CD2 4.07Å; I460-L516 PolarHBondContact N-O 3.03Å
461	M	91.4	Very high	94.4	Very high	68 Å²	68	35.7 Å²	35.7	34%	0.335	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.5	-174.4	-63.2	-67.2	-73.1	0	0	110.5	N463 K464 K465 T467	M461-N463 PolarHBondContact O-N 3.5Å; M461-K464 HydrophobicContact CB-CB 4.46Å; M461-K464 WeakPolarHBondContact CB-O 3.29Å; M461-K464 CarbonylContact O-C 3.59Å; M461-K464 PolarHBondContact O-N 2.96Å; M461-K465 PolarHBondContact O-N 3.26Å; M461-T467 WeakPolarHBondContact CB-O 3.14Å; M461-T467 HydrophobicContact CG-CG2 4.15Å; M461-T467 WeakPolarHBondContact CG-O 3.38Å; M461-T467 PolarHBondContact N-O 2.88Å
462	F	87.7	Confident	94.4	Very high	136 Å²	136	35.4 Å²	35.4	60%	0.596	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-39.7	-175.1	74	-79.6	0	0	0	113.9	I460 K464 L516	I460-F462 PolarHBondContact O-N 3.49Å; F462-K464 VanDerWaalsContact C-N 3.28Å; F462-K464 PolarHBondContact O-N 2.8Å; F462-L516 HydrophobicContact CB-CD1 3.88Å
463	N	87.7	Confident	94.2	Very high	137 Å²	137	40.3 Å²	40.3	73%	0.733	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.2	176.7	-82.4	-16	0	0	0	114.1	M461	M461-N463 PolarHBondContact O-N 3.5Å
464	K	92.1	Very high	94.1	Very high	114 Å²	114	43.3 Å²	43.3	50%	0.496	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	77.4	-170.8	-177.7	161.9	-179.1	173	0	109.6	M461 F462 D466 T467	M461-K464 HydrophobicContact CB-CB 4.46Å; M461-K464 WeakPolarHBondContact CB-O 3.29Å; M461-K464 CarbonylContact O-C 3.59Å; M461-K464 PolarHBondContact O-N 2.96Å; F462-K464 VanDerWaalsContact C-N 3.28Å; F462-K464 PolarHBondContact O-N 2.8Å; K464-D466 WeakPolarHBondContact CE-OD1 3.46Å; K464-D466 WeakPolarHBondContact CG-OD1 3.5Å; K464-D466 PolarHBondContact O-N 2.84Å; K464-T467 WeakPolarHBondContact CE-OG1 3.43Å; K464-T467 WeakPolarHBondContact O-CB 3.39Å; K464-T467 PolarHBondContact O-N 3.25Å
465	K	93	Very high	94	Very high	94 Å²	94	44.8 Å²	44.8	41%	0.409	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-15.4	-168.8	-63.9	177.6	179	177.3	0	113.5	E437 I460 M461 T467	E437-K465 HydrophobicContact CB-CB 3.99Å; E437-K465 HydrophobicContact CG-CB 4.12Å; E437-K465 WeakPolarHBondContact OE2-CB 3.32Å; I460-K465 HydrophobicContact CG2-CB 4.31Å; M461-K465 PolarHBondContact O-N 3.26Å; K465-T467 PolarHBondContact O-N 3.4Å; K465-T467 VanDerWaalsContact O-N 3.16Å
466	D	96.1	Very high	93.8	Very high	23 Å²	23	51.2 Å²	51.2	12%	0.123	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-5.3	168.4	86.4	-25.2	0	0	0	113.5	S433 N434 L435 E437 K464	S433-D466 CarbonylContact C-O 3.28Å; S433-D466 VanDerWaalsContact CA-O 3.29Å; S433-D466 WeakPolarHBondContact CA-O 3.21Å; N434-D466 PolarHBondContact N-O 3.01Å; N434-D466 PolarHBondContact N-OD2 3.39Å; L435-D466 VanDerWaalsContact CB-O 3.3Å; L435-D466 WeakPolarHBondContact CB-O 3.38Å; L435-D466 WeakPolarHBondContact CG-O 3.45Å; L435-D466 PolarHBondContact N-O 2.95Å; L435-D466 WeakPolarHBondContact O-CB 3.46Å; E437-D466 HydrophobicContact CG-CB 3.94Å; E437-D466 WeakPolarHBondContact OE1-CB 3.47Å; E437-D466 PolarHBondContact OE1-N 3.4Å; K464-D466 WeakPolarHBondContact CE-OD1 3.46Å; K464-D466 WeakPolarHBondContact CG-OD1 3.5Å; K464-D466 PolarHBondContact O-N 2.84Å
467	T	97.2	Very high	93.8	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.6	-172.1	-60.8	0	0	0	0	111.5	I431 V432 M461 K464 K465	I431-T467 HydrophobicContact CD1-CG2 3.91Å; I431-T467 HydrophobicContact CG1-CG2 3.93Å; V432-T467 CarbonylContact O-C 3.54Å; V432-T467 VanDerWaalsContact O-CA 3.25Å; V432-T467 WeakPolarHBondContact O-CA 3.38Å; M461-T467 WeakPolarHBondContact CB-O 3.14Å; M461-T467 HydrophobicContact CG-CG2 4.15Å; M461-T467 WeakPolarHBondContact CG-O 3.38Å; M461-T467 PolarHBondContact N-O 2.88Å; K464-T467 WeakPolarHBondContact CE-OG1 3.43Å; K464-T467 WeakPolarHBondContact O-CB 3.39Å; K464-T467 PolarHBondContact O-N 3.25Å; K465-T467 PolarHBondContact O-N 3.4Å; K465-T467 VanDerWaalsContact O-N 3.16Å
468	A	97.7	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.3	178.5	0	0	0	0	0	112.3	I431 V432 L435 L445 K459 I460	I431-A468 WeakPolarHBondContact CA-O 3.49Å; V432-A468 PolarHBondContact N-O 3.14Å; V432-A468 PolarHBondContact O-N 3.25Å; L435-A468 HydrophobicContact CD1-CB 3.82Å; L445-A468 HydrophobicContact CD1-CB 3.66Å; K459-A468 CarbonylContact O-C 3.35Å; K459-A468 VanDerWaalsContact O-CA 3.23Å; K459-A468 WeakPolarHBondContact O-CA 3.34Å; I460-A468 HydrophobicContact CG1-CB 4.02Å
469	L	97.6	Very high	93.8	Very high	11 Å²	11	51.5 Å²	51.5	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.4	165.7	-61.3	178	0	0	0	109.4	V429 L430 I431 V458 K459 S500 V505	V429-L469 HydrophobicContact CG1-CB 4.31Å; V429-L469 HydrophobicContact CG1-CD2 4.42Å; L430-L469 WeakPolarHBondContact O-CA 3.22Å; I431-L469 HydrophobicContact CB-CD2 3.78Å; I431-L469 HydrophobicContact CD1-CD2 4.21Å; I431-L469 HydrophobicContact CG1-CD2 3.91Å; V458-L469 WeakPolarHBondContact CA-O 3.48Å; K459-L469 HydrophobicContact CB-CB 4.47Å; K459-L469 PolarHBondContact N-O 2.84Å; K459-L469 PolarHBondContact O-N 3.16Å; L469-S500 WeakPolarHBondContact CD2-OG 3.19Å; L469-V505 HydrophobicContact CB-CG2 3.7Å
470	I	97.9	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.5	179	-58.1	-178.9	0	0	0	107.7	V429 L430 V432 L445 F449 V455 V458 F472	V429-I470 CarbonylContact C-O 3.51Å; V429-I470 WeakPolarHBondContact CA-O 3.4Å; L430-I470 PolarHBondContact N-O 3.42Å; L430-I470 PolarHBondContact O-N 2.83Å; V432-I470 HydrophobicContact CG2-CD1 3.77Å; V432-I470 HydrophobicContact CG2-CG1 4.29Å; L445-I470 HydrophobicContact CB-CD1 3.99Å; L445-I470 HydrophobicContact CD1-CD1 4.38Å; L445-I470 HydrophobicContact CD2-CD1 4.4Å; L445-I470 HydrophobicContact CG-CD1 4.5Å; F449-I470 HydrophobicContact CB-CD1 4.4Å; F449-I470 HydrophobicContact CB-CG2 4.28Å; F449-I470 HydrophobicContact CD1-CD1 3.74Å; F449-I470 HydrophobicContact CD1-CG2 4.29Å; F449-I470 HydrophobicContact CD2-CD1 3.44Å; F449-I470 VanDerWaalsContact CD2-CD1 3.44Å; F449-I470 HydrophobicContact CE1-CD1 3.8Å; F449-I470 HydrophobicContact CE2-CD1 3.51Å; F449-I470 HydrophobicContact CG-CD1 3.57Å; F449-I470 HydrophobicContact CG-CG2 4.32Å; F449-I470 HydrophobicContact CZ-CD1 3.7Å; V455-I470 HydrophobicContact CG1-CG2 3.78Å; V455-I470 HydrophobicContact CG2-CG2 4.03Å; V458-I470 HydrophobicContact CG1-CG1 4.41Å; V458-I470 HydrophobicContact CG2-CG1 4.48Å; V458-I470 HydrophobicContact CG2-CG2 4.49Å; I470-F472 HydrophobicContact CG2-CD2 4.41Å; I470-F472 HydrophobicContact CG2-CE2 4Å
471	Q	97	Very high	94	Very high	27 Å²	27	49.9 Å²	49.9	13%	0.126	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.9	176.8	-173.6	174.2	-9.2	0	0	109.8	V429 V455 T456 R457 V505	V429-Q471 HydrophobicContact CG2-CB 4.04Å; V429-Q471 HydrophobicContact CG2-CG 3.84Å; V455-Q471 CarbonylContact C-O 3.59Å; V455-Q471 WeakPolarHBondContact CA-O 3.06Å; T456-Q471 PolarHBondContact N-O 3.05Å; T456-Q471 WeakPolarHBondContact OG1-CG 3.1Å; T456-Q471 PolarHBondContact OG1-O 3.46Å; R457-Q471 HydrophobicContact CB-CB 4.26Å; R457-Q471 PolarHBondContact N-O 3.4Å; R457-Q471 PolarHBondContact O-N 2.88Å; Q471-V505 HydrophobicContact CB-CB 4.25Å; Q471-V505 HydrophobicContact CB-CG2 3.84Å
472	F	96.5	Very high	94.3	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	164.9	169.2	-74.9	-93.7	0	0	0	111.2	T428 L430 F449 V455 I470 D474 Q477 A478 A481	T428-F472 WeakPolarHBondContact CB-O 3.49Å; T428-F472 PolarHBondContact O-N 3.46Å; L430-F472 HydrophobicContact CD1-CE2 3.83Å; L430-F472 HydrophobicContact CG-CE2 4.36Å; F449-F472 HydrophobicContact CB-CZ 3.85Å; F449-F472 HydrophobicContact CD1-CE2 4.09Å; F449-F472 AromaticContact CD1-CZ 3.96Å; F449-F472 HydrophobicContact CD1-CZ 3.96Å; F449-F472 HydrophobicContact CG-CZ 4.42Å; V455-F472 HydrophobicContact CG2-CD1 4.07Å; V455-F472 HydrophobicContact CG2-CE1 3.7Å; V455-F472 HydrophobicContact CG2-CE2 4.47Å; V455-F472 HydrophobicContact CG2-CZ 3.94Å; I470-F472 HydrophobicContact CG2-CD2 4.41Å; I470-F472 HydrophobicContact CG2-CE2 4Å; F472-D474 VanDerWaalsContact C-N 3.3Å; F472-D474 WeakPolarHBondContact CB-O 3.28Å; F472-Q477 HydrophobicContact CB-CB 4.37Å; F472-Q477 HydrophobicContact CD1-CB 3.77Å; F472-Q477 HydrophobicContact CE1-CB 4.4Å; F472-Q477 HydrophobicContact CG-CB 4.28Å; F472-A478 HydrophobicContact CB-CB 4.2Å; F472-A478 HydrophobicContact CD2-CB 3.68Å; F472-A478 HydrophobicContact CE2-CB 4.36Å; F472-A478 HydrophobicContact CG-CB 4.1Å; F472-A481 HydrophobicContact CE1-CB 4.31Å; F472-A481 HydrophobicContact CE2-CB 3.92Å; F472-A481 HydrophobicContact CZ-CB 3.45Å; F472-A481 VanDerWaalsContact CZ-CB 3.45Å
473	N	91.3	Very high	94.7	Very high	103 Å²	103	49.1 Å²	49.1	55%	0.551	25%	0.245	S	C	*	.	S	Bend	trans	-72.4	-26.7	169.4	-164.5	78	0	0	0	112.3	D454 T456	D454-N473 HydrophobicContact CB-CB 4.19Å; D454-N473 WeakPolarHBondContact O-CB 2.95Å; D454-N473 PolarHBondContact O-N 2.8Å; T456-N473 HydrophobicContact CG2-CB 3.94Å
474	D	89.7	Confident	95.2	Very high	63 Å²	63	44.9 Å²	44.9	34%	0.337	22%	0.22	S	C	.	.	S	Bend	trans	-138.2	143.3	-171.5	174.8	85	0	0	0	112.2	F472 H476 Q477 A478	F472-D474 VanDerWaalsContact C-N 3.3Å; F472-D474 WeakPolarHBondContact CB-O 3.28Å; D474-H476 WeakPolarHBondContact OD2-CA 3.21Å; D474-H476 VanDerWaalsContact OD2-CB 3.22Å; D474-H476 WeakPolarHBondContact OD2-CB 3.33Å; D474-H476 PolarHBondContact OD2-N 3.42Å; D474-Q477 HydrophobicContact CB-CB 4.34Å; D474-Q477 HydrophobicContact CB-CG 4.07Å; D474-Q477 PolarHBondContact OD2-N 2.91Å; D474-Q477 VanDerWaalsContact OD2-N 3.14Å; D474-A478 PolarHBondContact O-N 2.89Å
475	P	92.4	Very high	95.4	Very high	37 Å²	37	39.5 Å²	39.5	24%	0.24	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-34.2	-179.2	-20.4	32.9	0	0	0	114.6	G426 T428 Q477 A478 L479	G426-P475 WeakPolarHBondContact O-CG 3.43Å; T428-P475 HydrophobicContact CG2-CG 3.84Å; P475-Q477 VanDerWaalsContact C-N 3.32Å; P475-A478 WeakPolarHBondContact O-CB 3.34Å; P475-A478 PolarHBondContact O-N 3.19Å; P475-L479 WeakPolarHBondContact O-CG 3.44Å; P475-L479 PolarHBondContact O-N 3.27Å
476	H	91.2	Very high	95.7	Very high	135 Å²	135	39 Å²	39	63%	0.625	20%	0.198	S	C	*	.	H	α-helix	trans	-68.6	-35.8	179.8	-176.2	62.6	0	0	0	111.1	D474 L479 T480	D474-H476 WeakPolarHBondContact OD2-CA 3.21Å; D474-H476 VanDerWaalsContact OD2-CB 3.22Å; D474-H476 WeakPolarHBondContact OD2-CB 3.33Å; D474-H476 PolarHBondContact OD2-N 3.42Å; H476-L479 PolarHBondContact O-N 3.46Å; H476-T480 WeakPolarHBondContact O-CB 3.49Å; H476-T480 PolarHBondContact O-N 2.76Å; H476-T480 PolarHBondContact O-OG1 3.32Å
477	Q	94.2	Very high	95.7	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-45.3	169.2	-70.5	-179.3	-8.2	0	0	112.3	F472 D474 P475 L479 T480 A481	F472-Q477 HydrophobicContact CB-CB 4.37Å; F472-Q477 HydrophobicContact CD1-CB 3.77Å; F472-Q477 HydrophobicContact CE1-CB 4.4Å; F472-Q477 HydrophobicContact CG-CB 4.28Å; D474-Q477 HydrophobicContact CB-CB 4.34Å; D474-Q477 HydrophobicContact CB-CG 4.07Å; D474-Q477 PolarHBondContact OD2-N 2.91Å; D474-Q477 VanDerWaalsContact OD2-N 3.14Å; P475-Q477 VanDerWaalsContact C-N 3.32Å; Q477-L479 PolarHBondContact O-N 2.76Å; Q477-T480 PolarHBondContact O-N 3.09Å; Q477-A481 PolarHBondContact O-N 3.4Å
478	A	95.6	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-43.2	176.5	0	0	0	0	0	112.2	L430 F472 D474 P475 T480 A481 L482	L430-A478 WeakPolarHBondContact CD1-O 3.49Å; L430-A478 HydrophobicContact CD2-CB 4.13Å; L430-A478 HydrophobicContact CG-CB 4.19Å; F472-A478 HydrophobicContact CB-CB 4.2Å; F472-A478 HydrophobicContact CD2-CB 3.68Å; F472-A478 HydrophobicContact CE2-CB 4.36Å; F472-A478 HydrophobicContact CG-CB 4.1Å; D474-A478 PolarHBondContact O-N 2.89Å; P475-A478 WeakPolarHBondContact O-CB 3.34Å; P475-A478 PolarHBondContact O-N 3.19Å; A478-T480 PolarHBondContact O-N 2.85Å; A478-A481 PolarHBondContact O-N 3.43Å; A478-L482 WeakPolarHBondContact O-CB 3.37Å; A478-L482 PolarHBondContact O-N 3.23Å
479	L	94.8	Very high	95.7	Very high	57 Å²	57	48.3 Å²	48.3	30%	0.298	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-36.6	176.1	-69.1	174.4	0	0	0	112.6	P475 H476 Q477 L482 Q483 V499	P475-L479 WeakPolarHBondContact O-CG 3.44Å; P475-L479 PolarHBondContact O-N 3.27Å; H476-L479 PolarHBondContact O-N 3.46Å; Q477-L479 PolarHBondContact O-N 2.76Å; L479-L482 HydrophobicContact CD2-CD2 4.2Å; L479-L482 WeakPolarHBondContact O-CB 3.49Å; L479-L482 PolarHBondContact O-N 2.88Å; L479-Q483 WeakPolarHBondContact O-CB 3.29Å; L479-Q483 PolarHBondContact O-N 3.5Å; L479-V499 HydrophobicContact CD2-CG2 4.5Å
480	T	94.7	Very high	95.7	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-44.8	175.6	-56.7	0	0	0	0	111.2	Y452 H476 Q477 A478 Q483 F484 I539	Y452-T480 HydrophobicContact CD1-CG2 4.22Å; H476-T480 WeakPolarHBondContact O-CB 3.49Å; H476-T480 PolarHBondContact O-N 2.76Å; H476-T480 PolarHBondContact O-OG1 3.32Å; Q477-T480 PolarHBondContact O-N 3.09Å; A478-T480 PolarHBondContact O-N 2.85Å; T480-Q483 PolarHBondContact O-N 2.86Å; T480-F484 HydrophobicContact CG2-CD2 3.74Å; T480-F484 HydrophobicContact CG2-CE2 3.64Å; T480-F484 WeakPolarHBondContact O-CD2 3.39Å; T480-F484 PolarHBondContact O-N 3.39Å; T480-F484 VanDerWaalsContact O-N 3.13Å; T480-I539 HydrophobicContact CG2-CG2 3.97Å
481	A	97.4	Very high	95.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-42.7	175.5	0	0	0	0	0	112.2	L430 F449 Y452 F472 Q477 A478 Q483 F484 L485	L430-A481 HydrophobicContact CD1-CB 4.08Å; F449-A481 HydrophobicContact CD1-CB 4.06Å; Y452-A481 HydrophobicContact CD2-CB 4.39Å; Y452-A481 HydrophobicContact CG-CB 4.23Å; F472-A481 HydrophobicContact CE1-CB 4.31Å; F472-A481 HydrophobicContact CE2-CB 3.92Å; F472-A481 HydrophobicContact CZ-CB 3.45Å; F472-A481 VanDerWaalsContact CZ-CB 3.45Å; Q477-A481 PolarHBondContact O-N 3.4Å; A478-A481 PolarHBondContact O-N 3.43Å; A481-Q483 PolarHBondContact O-N 3.46Å; A481-F484 PolarHBondContact O-N 2.84Å; A481-L485 VanDerWaalsContact O-CB 3.31Å; A481-L485 WeakPolarHBondContact O-CB 3.2Å; A481-L485 PolarHBondContact O-N 3.32Å
482	L	97.5	Very high	95.4	Very high	39 Å²	39	52.5 Å²	52.5	20%	0.204	27%	0.27	C	S	.	.	H	α-helix	trans	-55.5	-49.3	172.6	176.2	81.2	0	0	0	111.2	L430 A478 L479 F484 N486 I497 V499	L430-L482 HydrophobicContact CD1-CB 4.39Å; L430-L482 HydrophobicContact CD2-CB 4.21Å; L430-L482 HydrophobicContact CD2-CD1 4.47Å; A478-L482 WeakPolarHBondContact O-CB 3.37Å; A478-L482 PolarHBondContact O-N 3.23Å; L479-L482 HydrophobicContact CD2-CD2 4.2Å; L479-L482 WeakPolarHBondContact O-CB 3.49Å; L479-L482 PolarHBondContact O-N 2.88Å; L482-F484 PolarHBondContact O-N 3.29Å; L482-N486 WeakPolarHBondContact O-CB 3.42Å; L482-N486 PolarHBondContact O-N 3.14Å; L482-I497 HydrophobicContact CD1-CB 3.97Å; L482-I497 HydrophobicContact CD1-CG2 3.67Å; L482-I497 WeakPolarHBondContact CD1-O 3.31Å; L482-V499 HydrophobicContact CD2-CG2 4.38Å
483	Q	96.8	Very high	95.4	Very high	148 Å²	148	55.3 Å²	55.3	69%	0.692	28%	0.282	S	S	*	.	H	α-helix	trans	-63	-40.3	-176.6	-175.3	176.4	20	0	0	112.8	L479 T480 A481	L479-Q483 WeakPolarHBondContact O-CB 3.29Å; L479-Q483 PolarHBondContact O-N 3.5Å; T480-Q483 PolarHBondContact O-N 2.86Å; A481-Q483 PolarHBondContact O-N 3.46Å
484	F	97.4	Very high	95.7	Very high	49 Å²	49	52.6 Å²	52.6	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-93.7	-28.3	-172.8	-68.1	-34.8	0	0	0	115	Y452 T480 A481 L482 Q488 I539 P541 P542	Y452-F484 HydrophobicContact CD1-CB 4.41Å; Y452-F484 AromaticContact CD1-CD2 3.73Å; Y452-F484 HydrophobicContact CD1-CD2 3.73Å; Y452-F484 HydrophobicContact CE1-CB 3.8Å; Y452-F484 AromaticContact CE1-CD2 3.51Å; Y452-F484 HydrophobicContact CE1-CD2 3.51Å; Y452-F484 HydrophobicContact CE1-CE2 4.47Å; Y452-F484 HydrophobicContact CE1-CG 4.09Å; T480-F484 HydrophobicContact CG2-CD2 3.74Å; T480-F484 HydrophobicContact CG2-CE2 3.64Å; T480-F484 WeakPolarHBondContact O-CD2 3.39Å; T480-F484 PolarHBondContact O-N 3.39Å; T480-F484 VanDerWaalsContact O-N 3.13Å; A481-F484 PolarHBondContact O-N 2.84Å; L482-F484 PolarHBondContact O-N 3.29Å; F484-Q488 WeakPolarHBondContact O-CG 3.31Å; F484-I539 HydrophobicContact CD2-CG2 4.42Å; F484-I539 HydrophobicContact CE2-CG2 4.16Å; F484-P541 HydrophobicContact CD1-CB 3.69Å; F484-P541 HydrophobicContact CD1-CG 4.45Å; F484-P541 HydrophobicContact CE1-CB 4.1Å; F484-P541 HydrophobicContact CE1-CG 4.37Å; F484-P541 HydrophobicContact CG-CB 4.18Å; F484-P542 VanDerWaalsContact O-CD 3.28Å; F484-P542 WeakPolarHBondContact O-CD 3.5Å
485	L	98.1	Very high	96.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-99.1	-15.9	-177.6	-65.2	177.6	0	0	0	114.5	L448 F449 Y452 A481 G487 Q488 M495 I497 P542	L448-L485 HydrophobicContact CD1-CD2 4.04Å; L448-L485 HydrophobicContact CD2-CD2 4.43Å; L448-L485 HydrophobicContact CG-CD1 4.08Å; L448-L485 HydrophobicContact CG-CD2 4.21Å; F449-L485 HydrophobicContact CD1-CD1 3.86Å; F449-L485 HydrophobicContact CD2-CD1 3.96Å; F449-L485 HydrophobicContact CE1-CD1 3.79Å; F449-L485 HydrophobicContact CE2-CD1 3.9Å; F449-L485 HydrophobicContact CG-CD1 3.94Å; F449-L485 HydrophobicContact CZ-CD1 3.8Å; Y452-L485 HydrophobicContact CD2-CD1 3.85Å; Y452-L485 HydrophobicContact CD2-CG 4.16Å; Y452-L485 HydrophobicContact CE2-CD1 3.68Å; Y452-L485 HydrophobicContact CE2-CD2 3.72Å; Y452-L485 HydrophobicContact CE2-CG 3.63Å; A481-L485 VanDerWaalsContact O-CB 3.31Å; A481-L485 WeakPolarHBondContact O-CB 3.2Å; A481-L485 PolarHBondContact O-N 3.32Å; L485-G487 PolarHBondContact O-N 2.75Å; L485-Q488 WeakPolarHBondContact O-CB 3.48Å; L485-Q488 PolarHBondContact O-N 3.03Å; L485-Q488 VanDerWaalsContact O-N 3.16Å; L485-M495 HydrophobicContact CB-CE 4.17Å; L485-M495 HydrophobicContact CD2-CE 4.34Å; L485-I497 VanDerWaalsContact C-CD1 3.5Å; L485-I497 HydrophobicContact CB-CD1 3.43Å; L485-I497 VanDerWaalsContact CB-CD1 3.43Å; L485-P542 HydrophobicContact CD2-CG 3.81Å
486	N	97.7	Very high	96.3	Very high	84 Å²	84	54 Å²	54	45%	0.449	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	129.3	-179.7	-175.5	48	0	0	0	111.4	L482 Q488 I497	L482-N486 WeakPolarHBondContact O-CB 3.42Å; L482-N486 PolarHBondContact O-N 3.14Å; N486-Q488 VanDerWaalsContact C-N 3.25Å; N486-Q488 PolarHBondContact O-N 3.24Å; N486-I497 HydrophobicContact CB-CB 4.15Å; N486-I497 HydrophobicContact CB-CG1 4.38Å; N486-I497 PolarHBondContact OD1-N 3.25Å; N486-I497 PolarHBondContact OD1-O 3.02Å
487	G	97.2	Very high	96.7	Very high	47 Å²	47	48 Å²	48	49%	0.485	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-13.2	-174.7	0	0	0	0	0	114.9	L485 M495	L485-G487 PolarHBondContact O-N 2.75Å; G487-M495 WeakPolarHBondContact CA-O 3.43Å; G487-M495 PolarHBondContact N-O 2.96Å
488	Q	97.6	Very high	96.8	Very high	56 Å²	56	49.8 Å²	49.8	26%	0.262	26%	0.258	S	S	.	.			trans	-68.7	143	177.9	-61.9	-70	-7.6	0	0	111	F484 L485 N486 P494 M495 P542 I594	F484-Q488 WeakPolarHBondContact O-CG 3.31Å; L485-Q488 WeakPolarHBondContact O-CB 3.48Å; L485-Q488 PolarHBondContact O-N 3.03Å; L485-Q488 VanDerWaalsContact O-N 3.16Å; N486-Q488 VanDerWaalsContact C-N 3.25Å; N486-Q488 PolarHBondContact O-N 3.24Å; Q488-P494 WeakPolarHBondContact O-CA 3.42Å; Q488-M495 HydrophobicContact CB-CE 4.03Å; Q488-M495 PolarHBondContact O-N 2.71Å; Q488-P542 HydrophobicContact CG-CG 4.07Å; Q488-I594 HydrophobicContact CB-CD1 4.35Å
489	R	97.1	Very high	96.8	Very high	127 Å²	127	52 Å²	52	48%	0.479	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.1	179.1	-72	178.4	-175.3	-94.5	7.2	111.1	D492 K493 P494 D591 I594	R489-D492 PolarHBondContact NH1-O 3.06Å; R489-K493 WeakPolarHBondContact CA-O 3.48Å; R489-P494 HydrophobicContact CG-CB 4.41Å; R489-D591 WeakPolarHBondContact CB-OD1 3.44Å; R489-D591 WeakPolarHBondContact CD-OD1 3.46Å; R489-I594 WeakPolarHBondContact O-CD1 3.3Å
490	L	96.8	Very high	96.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	110.6	171.3	175.3	61.3	0	0	0	107.8	L435 L445 L448 K493 M495 I594 I598	L435-L490 HydrophobicContact CD2-CD2 4.08Å; L445-L490 HydrophobicContact CD2-CD2 4.39Å; L448-L490 HydrophobicContact CD2-CD2 4.2Å; L490-K493 PolarHBondContact N-O 2.89Å; L490-K493 PolarHBondContact O-N 2.98Å; L490-M495 HydrophobicContact CB-CE 4.21Å; L490-M495 HydrophobicContact CB-CG 3.93Å; L490-M495 HydrophobicContact CB-SD 3.86Å; L490-M495 HydrophobicContact CD2-SD 3.79Å; L490-M495 HydrophobicContact CG-SD 4.48Å; L490-I594 HydrophobicContact CD1-CG2 3.8Å; L490-I598 HydrophobicContact CD1-CD1 3.61Å
491	W	96.5	Very high	96.5	Very high	14 Å²	14	60.3 Å²	60.3	5%	0.053	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	64.3	-169.7	-51.2	-61.8	0	0	0	111.8	N436 R439 V440 A444 K493 Q595	N436-W491 HydrophobicContact CB-CB 3.98Å; N436-W491 HydrophobicContact CB-CE3 4.14Å; N436-W491 PolarHBondContact ND2-O 2.9Å; R439-W491 HydrophobicContact CB-CD2 3.64Å; R439-W491 HydrophobicContact CB-CE3 3.66Å; R439-W491 HydrophobicContact CB-CG 4.09Å; R439-W491 HydrophobicContact CB-CH2 4.39Å; R439-W491 HydrophobicContact CB-CZ2 4.39Å; R439-W491 HydrophobicContact CB-CZ3 4.06Å; R439-W491 HydrophobicContact CG-CG 4.49Å; R439-W491 WeakPolarHBondContact O-CH2 3.49Å; R439-W491 WeakPolarHBondContact O-CZ3 3.21Å; V440-W491 HydrophobicContact CB-CZ3 3.94Å; V440-W491 HydrophobicContact CG2-CZ3 4.22Å; A444-W491 HydrophobicContact CB-CH2 3.8Å; A444-W491 HydrophobicContact CB-CZ2 4.46Å; W491-K493 PolarHBondContact O-N 3.46Å; W491-Q595 VanDerWaalsContact CD1-OE1 3.25Å
492	D	92.6	Very high	95.9	Very high	111 Å²	111	65.2 Å²	65.2	59%	0.594	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-16.3	176.8	-49.3	-58.4	0	0	0	116.5	R489	R489-D492 PolarHBondContact NH1-O 3.06Å
493	K	96.2	Very high	95.3	Very high	59 Å²	59	68.8 Å²	68.8	26%	0.257	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.6	-179.9	-60.6	-175.5	69.3	-177.3	0	112.1	N434 L435 N436 R489 L490 W491 M495	N434-K493 WeakPolarHBondContact O-CB 3.47Å; N434-K493 VanDerWaalsContact O-CE 3.24Å; N434-K493 WeakPolarHBondContact O-CE 3.37Å; N434-K493 WeakPolarHBondContact OD1-CE 3.42Å; N434-K493 PolarHBondContact OD1-NZ 2.91Å; L435-K493 WeakPolarHBondContact O-CE 3.34Å; L435-K493 PolarHBondContact O-NZ 3.18Å; N436-K493 HydrophobicContact CB-CD 4.17Å; R489-K493 WeakPolarHBondContact CA-O 3.48Å; L490-K493 PolarHBondContact N-O 2.89Å; L490-K493 PolarHBondContact O-N 2.98Å; W491-K493 PolarHBondContact O-N 3.46Å; K493-M495 PolarHBondContact O-N 3.23Å
494	P	97.3	Very high	94.8	Very high	47 Å²	47	66 Å²	66	31%	0.305	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.9	175.2	28.1	-33.2	0	0	0	110.7	N434 Q488 R489	N434-P494 PolarHBondContact ND2-O 3.44Å; Q488-P494 WeakPolarHBondContact O-CA 3.42Å; R489-P494 HydrophobicContact CG-CB 4.41Å
495	M	98.1	Very high	94.3	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65	131.6	178.8	-65.2	-175.2	-71.5	0	0	110.7	V432 L435 L448 F449 L485 G487 Q488 L490 K493 I497	V432-M495 HydrophobicContact CG1-CB 4.34Å; V432-M495 HydrophobicContact CG1-CG 4.48Å; V432-M495 HydrophobicContact CG1-SD 4.44Å; L435-M495 HydrophobicContact CD2-CG 4.11Å; L435-M495 HydrophobicContact CD2-SD 4.24Å; L448-M495 HydrophobicContact CD2-CE 3.98Å; L448-M495 HydrophobicContact CD2-SD 4.28Å; F449-M495 HydrophobicContact CE2-SD 4.44Å; L485-M495 HydrophobicContact CB-CE 4.17Å; L485-M495 HydrophobicContact CD2-CE 4.34Å; G487-M495 WeakPolarHBondContact CA-O 3.43Å; G487-M495 PolarHBondContact N-O 2.96Å; Q488-M495 HydrophobicContact CB-CE 4.03Å; Q488-M495 PolarHBondContact O-N 2.71Å; L490-M495 HydrophobicContact CB-CE 4.21Å; L490-M495 HydrophobicContact CB-CG 3.93Å; L490-M495 HydrophobicContact CB-SD 3.86Å; L490-M495 HydrophobicContact CD2-SD 3.79Å; L490-M495 HydrophobicContact CG-SD 4.48Å; K493-M495 PolarHBondContact O-N 3.23Å; M495-I497 HydrophobicContact CB-CG1 4.29Å
496	K	98.2	Very high	93.5	Very high	128 Å²	128	70.2 Å²	70.2	56%	0.557	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	107.5	173.2	-69.1	179.3	-177.4	178.6	0	108.9	V432 S433 N434	V432-K496 CarbonylContact C-O 3.1Å; S433-K496 PolarHBondContact N-O 2.91Å; S433-K496 PolarHBondContact O-N 3.39Å; S433-K496 WeakPolarHBondContact OG-CB 3.41Å; S433-K496 PolarHBondContact OG-O 3.25Å; S433-K496 VanDerWaalsContact OG-O 3.04Å; N434-K496 HydrophobicContact CB-CD 4.4Å; N434-K496 HydrophobicContact CB-CG 4.4Å
497	I	98	Very high	92.3	Very high	10 Å²	10	69.7 Å²	69.7	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.5	-174.3	-46.2	179.9	0	0	0	109.4	L430 I431 V432 F449 L482 L485 N486 M495	L430-I497 HydrophobicContact CB-CG2 4.05Å; L430-I497 HydrophobicContact CD1-CG2 3.9Å; L430-I497 HydrophobicContact CG-CG2 4.4Å; I431-I497 WeakPolarHBondContact O-CA 3.38Å; V432-I497 HydrophobicContact CG1-CG1 4.22Å; V432-I497 HydrophobicContact CG2-CG1 4.29Å; V432-I497 HydrophobicContact CG2-CG2 4.23Å; F449-I497 HydrophobicContact CE1-CD1 3.91Å; F449-I497 HydrophobicContact CZ-CD1 3.73Å; L482-I497 HydrophobicContact CD1-CB 3.97Å; L482-I497 HydrophobicContact CD1-CG2 3.67Å; L482-I497 WeakPolarHBondContact CD1-O 3.31Å; L485-I497 VanDerWaalsContact C-CD1 3.5Å; L485-I497 HydrophobicContact CB-CD1 3.43Å; L485-I497 VanDerWaalsContact CB-CD1 3.43Å; N486-I497 HydrophobicContact CB-CB 4.15Å; N486-I497 HydrophobicContact CB-CG1 4.38Å; N486-I497 PolarHBondContact OD1-N 3.25Å; N486-I497 PolarHBondContact OD1-O 3.02Å; M495-I497 HydrophobicContact CB-CG1 4.29Å
498	A	96.8	Very high	90.8	Very high	48 Å²	48	70.6 Å²	70.6	40%	0.397	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.9	172.9	0	0	0	0	0	110.6	L430 I431 S500	L430-A498 WeakPolarHBondContact CA-O 3.46Å; I431-A498 HydrophobicContact CG2-CB 3.98Å; I431-A498 PolarHBondContact N-O 3.23Å; I431-A498 PolarHBondContact O-N 3.3Å; A498-S500 PolarHBondContact O-N 2.69Å
499	V	95.2	Very high	88.8	Confident	48 Å²	48	77.8 Å²	77.8	29%	0.291	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.9	166.9	176	0	0	0	0	109	N424 S427 L479 L482	N424-V499 HydrophobicContact CB-CG1 4.29Å; S427-V499 VanDerWaalsContact CB-CG1 3.46Å; L479-V499 HydrophobicContact CD2-CG2 4.5Å; L482-V499 HydrophobicContact CD2-CG2 4.38Å
500	S	94.2	Very high	86.5	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.021	39%	0.388	C	S	.	.			trans	-73	153.3	179	-171.8	0	0	0	0	111.7	V429 L469 A498 H502	V429-S500 WeakPolarHBondContact O-CB 3.43Å; V429-S500 PolarHBondContact O-N 3.23Å; L469-S500 WeakPolarHBondContact CD2-OG 3.19Å; A498-S500 PolarHBondContact O-N 2.69Å; S500-H502 VanDerWaalsContact C-N 3.26Å; S500-H502 PolarHBondContact OG-N 3.41Å; S500-H502 VanDerWaalsContact OG-N 3.08Å; S500-H502 PolarHBondContact OG-ND1 3.27Å
501	R	89.6	Confident	84.1	Confident	245 Å²	245	87.2 Å²	87.2	93%	0.925	43%	0.428	S	S	*	.	S	Bend	trans	-78.5	-11.4	166.3	-59.6	-177.1	-173.8	173.8	1.9	112.8
502	H	85.2	Confident	82	Confident	103 Å²	103	90.8 Å²	90.8	48%	0.477	45%	0.452	S	S	.	.			trans	-91.6	130.6	175.4	-55.6	88.5	0	0	0	109.1	V429 S500	V429-H502 WeakPolarHBondContact CB-O 3.5Å; V429-H502 WeakPolarHBondContact CG2-O 3.46Å; S500-H502 VanDerWaalsContact C-N 3.26Å; S500-H502 PolarHBondContact OG-N 3.41Å; S500-H502 VanDerWaalsContact OG-N 3.08Å; S500-H502 PolarHBondContact OG-ND1 3.27Å
503	N	84.1	Confident	80	Confident	115 Å²	115	94.3 Å²	94.3	62%	0.615	46%	0.464	S	S	*	.	S	Bend	trans	-87.6	-8.7	177.9	-60.3	-25.3	0	0	0	113.3
504	I	87	Confident	78.5	Confident	88 Å²	88	96.4 Å²	96.4	45%	0.451	48%	0.479	S	S	.	.	S	Bend	trans	-149	143.4	179.1	-169.6	168.8	0	0	0	110.4
505	V	85.9	Confident	77.7	Confident	0 Å²	0	96.9 Å²	96.9	0%	0	49%	0.492	C	S	.	.			trans	-85.9	115.8	169.5	172.4	0	0	0	0	109.1	V429 R457 K459 L469 Q471	V429-V505 HydrophobicContact CG1-CG2 4Å; R457-V505 HydrophobicContact CB-CB 3.87Å; R457-V505 HydrophobicContact CB-CG1 3.86Å; R457-V505 WeakPolarHBondContact CD-O 3.38Å; R457-V505 PolarHBondContact NH1-O 2.88Å; R457-V505 VanDerWaalsContact NH1-O 3.09Å; K459-V505 HydrophobicContact CB-CG1 3.52Å; K459-V505 HydrophobicContact CD-CG1 4.09Å; K459-V505 HydrophobicContact CG-CG1 4.47Å; L469-V505 HydrophobicContact CB-CG2 3.7Å; Q471-V505 HydrophobicContact CB-CB 4.25Å; Q471-V505 HydrophobicContact CB-CG2 3.84Å
506	Q	81.4	Confident	77.2	Confident	138 Å²	138	98.2 Å²	98.2	65%	0.645	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-82	124.8	177.1	-65.3	177.6	-4.2	0	0	111.1	K459	K459-Q506 WeakPolarHBondContact CD-O 3.48Å; K459-Q506 PolarHBondContact NZ-O 3.38Å
507	L	73.8	Confident	76.8	Confident	74 Å²	74	93.5 Å²	93.5	39%	0.387	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-65.7	155.8	170.6	-60.8	175.8	0	0	0	111.1	T517 D519	L507-T517 HydrophobicContact CD2-CG2 4.03Å; L507-D519 HydrophobicContact CD2-CB 4.04Å
508	P	66.2	Low	76.4	Confident	65 Å²	65	97.2 Å²	97.2	42%	0.422	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-61.3	143.9	170.1	-18.7	32.9	0	0	0	111.1	E510 T517	P508-E510 PolarHBondContact O-N 2.85Å; P508-T517 HydrophobicContact CG-CG2 4.43Å
509	K	55.1	Low	76	Confident	207 Å²	207	97.8 Å²	97.8	90%	0.9	49%	0.493	S	S	*	.	S	Bend	trans	-84	84.7	170.5	-65.1	-175.1	178.5	-171.9	0	109.2
510	E	49	Very low	75.8	Confident	167 Å²	167	96 Å²	96	78%	0.78	48%	0.481	S	S	*	.	S	Bend	trans	57	155.9	174.8	-60.5	-169	135.3	0	0	117.5	P508 T512	P508-E510 PolarHBondContact O-N 2.85Å; E510-T512 PolarHBondContact O-N 3.39Å; E510-T512 PolarHBondContact O-OG1 3.25Å
511	D	46.4	Very low	75.5	Confident	160 Å²	160	98.2 Å²	98.2	86%	0.856	49%	0.494	S	S	*	.	S	Bend	trans	44.9	-3.3	171	-69.6	-8.2	0	0	0	122	E513	D511-E513 VanDerWaalsContact C-N 3.28Å; D511-E513 PolarHBondContact O-N 2.95Å
512	T	51	Low	75.2	Confident	90 Å²	90	93.2 Å²	93.2	55%	0.552	49%	0.486	S	S	*	.			trans	-82.7	71.9	173	-46.5	0	0	0	0	110.4	E510 N514	E510-T512 PolarHBondContact O-N 3.39Å; E510-T512 PolarHBondContact O-OG1 3.25Å; T512-N514 PolarHBondContact O-N 3Å
513	E	50.8	Low	75.1	Confident	184 Å²	184	89.4 Å²	89.4	86%	0.86	47%	0.471	S	S	*	.			trans	-64.8	36.6	-177.3	-77.7	-155.9	134.7	0	0	115.4	D511 G515	D511-E513 VanDerWaalsContact C-N 3.28Å; D511-E513 PolarHBondContact O-N 2.95Å; E513-G515 PolarHBondContact O-N 3.48Å
514	N	65.4	Low	75.2	Confident	104 Å²	104	91.8 Å²	91.8	56%	0.556	48%	0.483	S	S	*	.			trans	-70.9	-3	-177.2	-68	8.8	0	0	0	113.9	T512 L516	T512-N514 PolarHBondContact O-N 3Å; N514-L516 HydrophobicContact CB-CD1 4.4Å; N514-L516 HydrophobicContact CB-CG 4.22Å; N514-L516 WeakPolarHBondContact O-CG 3.45Å; N514-L516 PolarHBondContact O-N 3Å
515	G	79.6	Confident	75.2	Confident	56 Å²	56	90 Å²	90	58%	0.577	47%	0.474	S	S	*	.	S	Bend	trans	66.1	0.2	-179.8	0	0	0	0	0	115.6	P442 E513	P442-G515 WeakPolarHBondContact CD-O 3.36Å; P442-G515 VanDerWaalsContact CG-O 3.25Å; P442-G515 WeakPolarHBondContact CG-O 3.44Å; E513-G515 PolarHBondContact O-N 3.48Å
516	L	88.5	Confident	75.3	Confident	29 Å²	29	90.8 Å²	90.8	15%	0.152	48%	0.477	C	S	.	.			trans	-80.5	-15.3	-174.3	-63.3	-178.8	0	0	0	114.5	K459 I460 F462 N514	K459-L516 WeakPolarHBondContact CA-O 3.41Å; I460-L516 HydrophobicContact CB-CB 4.19Å; I460-L516 HydrophobicContact CB-CD2 4.12Å; I460-L516 HydrophobicContact CG2-CD2 4.07Å; I460-L516 PolarHBondContact N-O 3.03Å; F462-L516 HydrophobicContact CB-CD1 3.88Å; N514-L516 HydrophobicContact CB-CD1 4.4Å; N514-L516 HydrophobicContact CB-CG 4.22Å; N514-L516 WeakPolarHBondContact O-CG 3.45Å; N514-L516 PolarHBondContact O-N 3Å
517	T	89.1	Confident	75.6	Confident	30 Å²	30	85 Å²	85	18%	0.184	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.9	178	-53.6	0	0	0	0	109.9	V458 K459 L507 P508	V458-T517 VanDerWaalsContact O-CA 3.32Å; V458-T517 WeakPolarHBondContact O-CA 3.31Å; K459-T517 HydrophobicContact CB-CG2 3.98Å; K459-T517 HydrophobicContact CD-CG2 4.35Å; K459-T517 HydrophobicContact CG-CG2 4.29Å; K459-T517 WeakPolarHBondContact CG-OG1 3.47Å; L507-T517 HydrophobicContact CD2-CG2 4.03Å; P508-T517 HydrophobicContact CG-CG2 4.43Å
518	K	89.9	Confident	76.1	Confident	88 Å²	88	82 Å²	82	38%	0.383	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.5	-179.3	-172.6	161.5	166.3	-173	0	110.9	P442 D443 V458 Y520	P442-K518 HydrophobicContact CB-CB 4.09Å; D443-K518 WeakPolarHBondContact OD1-CD 3.38Å; D443-K518 VanDerWaalsContact OD1-CE 3.27Å; D443-K518 WeakPolarHBondContact OD1-CE 3.44Å; D443-K518 IonicContact OD1-NZ 3.78Å; D443-K518 PolarHBondContact OD1-NZ 3.48Å; D443-K518 IonicContact OD2-NZ 2.75Å; D443-K518 PolarHBondContact OD2-NZ 2.96Å; V458-K518 PolarHBondContact N-O 3.37Å; V458-K518 VanDerWaalsContact N-O 3.11Å; V458-K518 PolarHBondContact O-N 3.36Å; K518-Y520 HydrophobicContact CB-CE2 3.74Å; K518-Y520 HydrophobicContact CD-CE1 3.99Å; K518-Y520 WeakPolarHBondContact CD-OH 3.29Å; K518-Y520 HydrophobicContact CG-CE1 4.02Å; K518-Y520 HydrophobicContact CG-CE2 3.88Å; K518-Y520 WeakPolarHBondContact O-CD2 3.49Å; K518-Y520 WeakPolarHBondContact O-CE2 3.43Å
519	D	89	Confident	76.6	Confident	59 Å²	59	84.1 Å²	84.1	32%	0.316	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.9	175.4	-157.5	-46.5	0	0	0	109.5	R457 L507 T521	R457-D519 IonicContact CZ-OD2 3.35Å; R457-D519 IonicContact NE-OD2 2.74Å; R457-D519 PolarHBondContact NE-OD2 2.92Å; R457-D519 IonicContact NH2-OD2 3.05Å; R457-D519 PolarHBondContact NH2-OD2 3.31Å; L507-D519 HydrophobicContact CD2-CB 4.04Å; D519-T521 WeakPolarHBondContact OD1-CB 3.45Å; D519-T521 PolarHBondContact OD1-N 2.89Å; D519-T521 PolarHBondContact OD1-OG1 2.98Å
520	Y	91.1	Very high	77.3	Confident	12 Å²	12	82.1 Å²	82.1	5%	0.047	43%	0.425	C	S	.	.			trans	-125.3	11.8	-179.2	-57	-88.7	0	0	0	111.3	P442 D443 F446 V455 T456 V458 K518 N522 S523 H526	P442-Y520 VanDerWaalsContact CB-OH 3.31Å; P442-Y520 WeakPolarHBondContact CB-OH 3.48Å; P442-Y520 PolarHBondContact O-OH 2.66Å; D443-Y520 WeakPolarHBondContact CA-OH 3.21Å; D443-Y520 PolarHBondContact N-OH 2.77Å; D443-Y520 WeakPolarHBondContact OD1-CE1 3.41Å; D443-Y520 VanDerWaalsContact OD1-CZ 3.27Å; D443-Y520 PolarHBondContact OD1-OH 3.21Å; F446-Y520 HydrophobicContact CB-CD1 4.18Å; F446-Y520 HydrophobicContact CB-CD2 4.35Å; F446-Y520 HydrophobicContact CB-CE1 3.72Å; F446-Y520 HydrophobicContact CB-CE2 3.92Å; F446-Y520 HydrophobicContact CB-CG 4.46Å; F446-Y520 AromaticContact CD1-CD1 3.96Å; F446-Y520 HydrophobicContact CD1-CD1 3.96Å; F446-Y520 AromaticContact CD1-CE1 3.88Å; F446-Y520 HydrophobicContact CD1-CE1 3.88Å; F446-Y520 AromaticContact CD2-CD1 3.34Å; F446-Y520 HydrophobicContact CD2-CD1 3.34Å; F446-Y520 AromaticContact CD2-CD2 3.79Å; F446-Y520 HydrophobicContact CD2-CD2 3.79Å; F446-Y520 AromaticContact CD2-CE1 3.8Å; F446-Y520 HydrophobicContact CD2-CE1 3.8Å; F446-Y520 HydrophobicContact CD2-CE2 4.22Å; F446-Y520 AromaticContact CD2-CG 3.32Å; F446-Y520 HydrophobicContact CD2-CG 3.32Å; F446-Y520 HydrophobicContact CE1-CD1 4.24Å; F446-Y520 AromaticContact CE2-CD1 3.66Å; F446-Y520 HydrophobicContact CE2-CD1 3.66Å; F446-Y520 HydrophobicContact CE2-CE1 4.46Å; F446-Y520 AromaticContact CE2-CG 3.7Å; F446-Y520 HydrophobicContact CE2-CG 3.7Å; F446-Y520 AromaticContact CG-CD1 3.52Å; F446-Y520 HydrophobicContact CG-CD1 3.52Å; F446-Y520 HydrophobicContact CG-CD2 4.28Å; F446-Y520 AromaticContact CG-CE1 3.48Å; F446-Y520 HydrophobicContact CG-CE1 3.48Å; F446-Y520 VanDerWaalsContact CG-CE1 3.48Å; F446-Y520 HydrophobicContact CG-CE2 4.26Å; F446-Y520 AromaticContact CG-CG 3.93Å; F446-Y520 HydrophobicContact CG-CG 3.93Å; F446-Y520 AromaticContact CG-CZ 3.87Å; F446-Y520 HydrophobicContact CZ-CD1 4.11Å; V455-Y520 VanDerWaalsContact O-CB 3.32Å; V455-Y520 WeakPolarHBondContact O-CB 3.28Å; T456-Y520 CarbonylContact O-C 3.48Å; T456-Y520 WeakPolarHBondContact O-CA 3.32Å; T456-Y520 PolarHBondContact O-N 3.28Å; V458-Y520 HydrophobicContact CB-CE2 3.95Å; V458-Y520 HydrophobicContact CG2-CD2 4.27Å; V458-Y520 HydrophobicContact CG2-CE2 3.77Å; K518-Y520 HydrophobicContact CB-CE2 3.74Å; K518-Y520 HydrophobicContact CD-CE1 3.99Å; K518-Y520 WeakPolarHBondContact CD-OH 3.29Å; K518-Y520 HydrophobicContact CG-CE1 4.02Å; K518-Y520 HydrophobicContact CG-CE2 3.88Å; K518-Y520 WeakPolarHBondContact O-CD2 3.49Å; K518-Y520 WeakPolarHBondContact O-CE2 3.43Å; Y520-N522 PolarHBondContact O-N 3Å; Y520-S523 WeakPolarHBondContact O-CB 3.48Å; Y520-S523 PolarHBondContact O-N 3.46Å; Y520-H526 PolarHBondContact O-NE2 3.08Å
521	T	87.6	Confident	77.7	Confident	48 Å²	48	79.8 Å²	79.8	29%	0.294	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.7	-178	-55.1	0	0	0	0	112.8	T456 D519 R529	T456-T521 PolarHBondContact O-N 3.21Å; T456-T521 PolarHBondContact O-OG1 3.16Å; D519-T521 WeakPolarHBondContact OD1-CB 3.45Å; D519-T521 PolarHBondContact OD1-N 2.89Å; D519-T521 PolarHBondContact OD1-OG1 2.98Å; T521-R529 PolarHBondContact O-NH1 2.86Å; T521-R529 PolarHBondContact O-NH2 2.81Å
522	N	83.4	Confident	78.3	Confident	141 Å²	141	80.1 Å²	80.1	75%	0.754	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	19.3	173.1	-66.8	-34	0	0	0	114.2	Y520 L524	Y520-N522 PolarHBondContact O-N 3Å; N522-L524 PolarHBondContact O-N 3.44Å
523	S	83.5	Confident	79.1	Confident	23 Å²	23	76.9 Å²	76.9	16%	0.161	41%	0.406	C	S	.	.			trans	-65.3	128.5	-178	-176.6	0	0	0	0	112.9	F446 Y520 L525 H526	F446-S523 WeakPolarHBondContact CZ-OG 3.27Å; Y520-S523 WeakPolarHBondContact O-CB 3.48Å; Y520-S523 PolarHBondContact O-N 3.46Å; S523-L525 PolarHBondContact O-N 3.07Å; S523-L525 PolarHBondContact OG-N 3.28Å; S523-H526 PolarHBondContact O-CD2 2.81Å; S523-H526 PolarHBondContact O-N 3.41Å
524	L	85.2	Confident	80.4	Confident	165 Å²	165	75.4 Å²	75.4	86%	0.864	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-14	173.7	-59.2	179	0	0	0	112.9	N522 H526	N522-L524 PolarHBondContact O-N 3.44Å; L524-H526 PolarHBondContact O-N 3.27Å
525	L	87.3	Confident	81.1	Confident	51 Å²	51	73.6 Å²	73.6	27%	0.267	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.4	179.5	-56.4	-176.8	0	0	0	113.4	F446 S523 N602 R612	F446-L525 HydrophobicContact CE1-CB 3.89Å; F446-L525 HydrophobicContact CE1-CD1 4.07Å; F446-L525 HydrophobicContact CZ-CB 4Å; S523-L525 PolarHBondContact O-N 3.07Å; S523-L525 PolarHBondContact OG-N 3.28Å; L525-N602 HydrophobicContact CD2-CB 4.01Å; L525-N602 VanDerWaalsContact CD2-OD1 3.27Å; L525-N602 WeakPolarHBondContact CD2-OD1 3.34Å; L525-R612 PolarHBondContact O-NH2 2.91Å
526	H	87.3	Confident	81.2	Confident	15 Å²	15	76.2 Å²	76.2	7%	0.069	38%	0.383	C	S	.	.			trans	-53.9	145.9	173.5	-81.4	-48.5	0	0	0	112.7	F446 D454 V455 Y520 S523 L524 R529 R612	F446-H526 AromaticContact CE2-CE1 3.71Å; D454-H526 VanDerWaalsContact CA-ND1 3.33Å; D454-H526 WeakPolarHBondContact CA-ND1 3.06Å; D454-H526 VanDerWaalsContact CB-ND1 3.33Å; D454-H526 WeakPolarHBondContact CB-ND1 3.33Å; D454-H526 WeakPolarHBondContact OD1-CB 3.4Å; D454-H526 IonicContact OD1-CG 3.59Å; D454-H526 IonicContact OD1-ND1 3.24Å; D454-H526 PolarHBondContact OD1-ND1 2.77Å; V455-H526 PolarHBondContact N-CE1 2.96Å; V455-H526 PolarHBondContact O-CE1 3.39Å; V455-H526 PolarHBondContact O-NE2 3.32Å; Y520-H526 PolarHBondContact O-NE2 3.08Å; S523-H526 PolarHBondContact O-CD2 2.81Å; S523-H526 PolarHBondContact O-N 3.41Å; L524-H526 PolarHBondContact O-N 3.27Å; H526-R529 HydrophobicContact CB-CG 3.87Å; H526-R529 PolarHBondContact CD2-NE 2.94Å; H526-R529 PolarHBondContact CD2-NH2 2.94Å; H526-R529 VanDerWaalsContact CD2-NH2 3.3Å; H526-R529 PolarHBondContact NE2-NH2 3.24Å; H526-R612 PolarHBondContact O-NH2 3.45Å
527	R	87.4	Confident	80.9	Confident	17 Å²	17	81.9 Å²	81.9	6%	0.064	41%	0.409	C	S	.	.	S	Bend	trans	-112.1	-21.6	-169.5	-61.8	-176.9	-174.9	-147.4	5.2	112	G450 D454 S533 N535 H601 I613 S614	G450-R527 WeakPolarHBondContact O-CD 3.28Å; D454-R527 PolarHBondContact OD1-N 3.15Å; R527-S533 PolarHBondContact O-OG 2.82Å; R527-N535 PolarHBondContact O-ND2 3.35Å; R527-H601 PolarHBondContact NH2-CD2 2.65Å; R527-H601 VanDerWaalsContact NH2-CD2 3.31Å; R527-H601 PolarHBondContact NH2-CE1 3.22Å; R527-H601 PolarHBondContact NH2-ND1 2.88Å; R527-H601 PolarHBondContact NH2-NE2 2.96Å; R527-I613 VanDerWaalsContact CZ-O 3.25Å; R527-I613 PolarHBondContact NH1-O 3.11Å; R527-I613 PolarHBondContact NH2-O 3.44Å; R527-S614 PolarHBondContact NH1-OG 3.35Å
528	F	85.9	Confident	80.9	Confident	12 Å²	12	84.1 Å²	84.1	5%	0.053	42%	0.42	C	S	.	.	S	Bend	trans	-110.7	-15.6	-168.2	-58.7	-81.4	0	0	0	113.7	V451 G453 D454 K530 N535 F536 I539	V451-F528 WeakPolarHBondContact O-CZ 3.39Å; G453-F528 VanDerWaalsContact CA-CD2 3.49Å; G453-F528 VanDerWaalsContact CA-CE2 3.48Å; G453-F528 VanDerWaalsContact N-CE2 3.34Å; D454-F528 WeakPolarHBondContact OD1-CB 3.42Å; D454-F528 WeakPolarHBondContact OD1-CD2 3.49Å; D454-F528 PolarHBondContact OD1-N 2.81Å; D454-F528 WeakPolarHBondContact OD2-CB 3.27Å; F528-K530 VanDerWaalsContact C-N 3.29Å; F528-K530 PolarHBondContact O-N 2.94Å; F528-K530 VanDerWaalsContact O-N 3.16Å; F528-N535 HydrophobicContact CD1-CB 4.02Å; F528-N535 HydrophobicContact CE1-CB 3.7Å; F528-N535 HydrophobicContact CZ-CB 4.39Å; F528-F536 HydrophobicContact CB-CE1 4.19Å; F528-F536 HydrophobicContact CB-CE2 3.89Å; F528-F536 HydrophobicContact CB-CZ 3.6Å; F528-F536 AromaticContact CD1-CD1 3.75Å; F528-F536 HydrophobicContact CD1-CD1 3.75Å; F528-F536 AromaticContact CD1-CD2 3.95Å; F528-F536 HydrophobicContact CD1-CD2 3.95Å; F528-F536 AromaticContact CD1-CE1 3.7Å; F528-F536 HydrophobicContact CD1-CE1 3.7Å; F528-F536 AromaticContact CD1-CE2 3.89Å; F528-F536 HydrophobicContact CD1-CE2 3.89Å; F528-F536 AromaticContact CD1-CG 3.9Å; F528-F536 HydrophobicContact CD1-CG 3.9Å; F528-F536 AromaticContact CD1-CZ 3.79Å; F528-F536 HydrophobicContact CD1-CZ 3.79Å; F528-F536 HydrophobicContact CE1-CD1 4.21Å; F528-F536 HydrophobicContact CE1-CE1 4.49Å; F528-F536 HydrophobicContact CE1-CG 4.37Å; F528-F536 HydrophobicContact CG-CE1 4.21Å; F528-F536 HydrophobicContact CG-CE2 4.38Å; F528-F536 HydrophobicContact CG-CZ 4.08Å; F528-I539 HydrophobicContact CE1-CD1 3.73Å; F528-I539 HydrophobicContact CE1-CG1 4.14Å; F528-I539 HydrophobicContact CZ-CD1 3.9Å; F528-I539 HydrophobicContact CZ-CG1 4.23Å
529	R	77	Confident	80.9	Confident	109 Å²	109	81.6 Å²	81.6	41%	0.411	41%	0.41	S	S	.	.			trans	-54.3	-29.2	176.9	-65.4	-171.4	179	-149	-15.6	117.3	D454 T521 H526 P531	D454-R529 WeakPolarHBondContact OD2-CG 3.46Å; D454-R529 PolarHBondContact OD2-N 3.16Å; T521-R529 PolarHBondContact O-NH1 2.86Å; T521-R529 PolarHBondContact O-NH2 2.81Å; H526-R529 HydrophobicContact CB-CG 3.87Å; H526-R529 PolarHBondContact CD2-NE 2.94Å; H526-R529 PolarHBondContact CD2-NH2 2.94Å; H526-R529 VanDerWaalsContact CD2-NH2 3.3Å; H526-R529 PolarHBondContact NE2-NH2 3.24Å; R529-P531 VanDerWaalsContact O-CD 3.3Å; R529-P531 WeakPolarHBondContact O-CD 3.38Å
530	K	69.3	Low	81.2	Confident	165 Å²	165	80.7 Å²	80.7	72%	0.717	40%	0.403	S	S	*	.	S	Bend	trans	-70.2	121.1	-179	-73.3	-169.1	176.6	-173.5	0	108.8	F528 N532 S533	F528-K530 VanDerWaalsContact C-N 3.29Å; F528-K530 PolarHBondContact O-N 2.94Å; F528-K530 VanDerWaalsContact O-N 3.16Å; K530-N532 PolarHBondContact O-N 3.37Å; K530-S533 VanDerWaalsContact O-CB 3.23Å; K530-S533 WeakPolarHBondContact O-CB 3.5Å; K530-S533 PolarHBondContact O-N 3.07Å
531	P	57	Low	81.4	Confident	118 Å²	118	83.2 Å²	83.2	77%	0.766	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	137.4	172	-25	35.1	0	0	0	110.1	R529 S533	R529-P531 VanDerWaalsContact O-CD 3.3Å; R529-P531 WeakPolarHBondContact O-CD 3.38Å; P531-S533 VanDerWaalsContact C-N 3.28Å; P531-S533 PolarHBondContact O-N 3.33Å
532	N	58.4	Low	81.9	Confident	167 Å²	167	81.7 Å²	81.7	89%	0.893	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	25.5	-175.7	-50.3	-41.8	0	0	0	115.4	K530 K534	K530-N532 PolarHBondContact O-N 3.37Å; N532-K534 PolarHBondContact O-N 3.26Å
533	S	68.2	Low	82.6	Confident	21 Å²	21	76.1 Å²	76.1	15%	0.147	38%	0.384	C	S	.	.			trans	-59.3	121.4	174.2	-175.6	0	0	0	0	112.2	R527 K530 P531 N535	R527-S533 PolarHBondContact O-OG 2.82Å; K530-S533 VanDerWaalsContact O-CB 3.23Å; K530-S533 WeakPolarHBondContact O-CB 3.5Å; K530-S533 PolarHBondContact O-N 3.07Å; P531-S533 VanDerWaalsContact C-N 3.28Å; P531-S533 PolarHBondContact O-N 3.33Å; S533-N535 PolarHBondContact O-N 3.46Å; S533-N535 WeakPolarHBondContact OG-CB 3.31Å; S533-N535 PolarHBondContact OG-N 3.38Å; S533-N535 PolarHBondContact OG-ND2 2.8Å
534	K	77.7	Confident	83.2	Confident	153 Å²	153	78.4 Å²	78.4	67%	0.665	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-64.5	-6.6	172.8	-66.3	-172.3	179.2	-175.7	0	113.7	N532 F536 Q537 N538	N532-K534 PolarHBondContact O-N 3.26Å; K534-F536 VanDerWaalsContact C-N 3.28Å; K534-F536 PolarHBondContact O-N 2.88Å; K534-Q537 PolarHBondContact O-N 3.08Å; K534-Q537 VanDerWaalsContact O-N 3.12Å; K534-N538 PolarHBondContact O-ND2 3.41Å
535	N	81	Confident	83.8	Confident	67 Å²	67	70.9 Å²	70.9	36%	0.358	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-63.5	-33.7	180	-65.7	-17.9	0	0	0	112	R527 F528 S533 Q537 N538 I539	R527-N535 PolarHBondContact O-ND2 3.35Å; F528-N535 HydrophobicContact CD1-CB 4.02Å; F528-N535 HydrophobicContact CE1-CB 3.7Å; F528-N535 HydrophobicContact CZ-CB 4.39Å; S533-N535 PolarHBondContact O-N 3.46Å; S533-N535 WeakPolarHBondContact OG-CB 3.31Å; S533-N535 PolarHBondContact OG-N 3.38Å; S533-N535 PolarHBondContact OG-ND2 2.8Å; N535-Q537 PolarHBondContact O-N 2.84Å; N535-N538 CarbonylContact O-C 3.55Å; N535-N538 PolarHBondContact O-N 3.45Å; N535-I539 WeakPolarHBondContact O-CG1 3.5Å
536	F	82.5	Confident	84.3	Confident	111 Å²	111	68.5 Å²	68.5	49%	0.487	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-60.6	-25.5	174.5	-72.2	-76.5	0	0	0	113.7	F528 K534 N538	F528-F536 HydrophobicContact CB-CE1 4.19Å; F528-F536 HydrophobicContact CB-CE2 3.89Å; F528-F536 HydrophobicContact CB-CZ 3.6Å; F528-F536 AromaticContact CD1-CD1 3.75Å; F528-F536 HydrophobicContact CD1-CD1 3.75Å; F528-F536 AromaticContact CD1-CD2 3.95Å; F528-F536 HydrophobicContact CD1-CD2 3.95Å; F528-F536 AromaticContact CD1-CE1 3.7Å; F528-F536 HydrophobicContact CD1-CE1 3.7Å; F528-F536 AromaticContact CD1-CE2 3.89Å; F528-F536 HydrophobicContact CD1-CE2 3.89Å; F528-F536 AromaticContact CD1-CG 3.9Å; F528-F536 HydrophobicContact CD1-CG 3.9Å; F528-F536 AromaticContact CD1-CZ 3.79Å; F528-F536 HydrophobicContact CD1-CZ 3.79Å; F528-F536 HydrophobicContact CE1-CD1 4.21Å; F528-F536 HydrophobicContact CE1-CE1 4.49Å; F528-F536 HydrophobicContact CE1-CG 4.37Å; F528-F536 HydrophobicContact CG-CE1 4.21Å; F528-F536 HydrophobicContact CG-CE2 4.38Å; F528-F536 HydrophobicContact CG-CZ 4.08Å; K534-F536 VanDerWaalsContact C-N 3.28Å; K534-F536 PolarHBondContact O-N 2.88Å; F536-N538 VanDerWaalsContact C-N 3.32Å
537	Q	82	Confident	84.8	Confident	148 Å²	148	70.1 Å²	70.1	69%	0.692	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-85.3	-5.6	177.6	-60.5	174.2	-0.7	0	0	112.8	K534 N535	K534-Q537 PolarHBondContact O-N 3.08Å; K534-Q537 VanDerWaalsContact O-N 3.12Å; N535-Q537 PolarHBondContact O-N 2.84Å
538	N	87.3	Confident	85.2	Confident	76 Å²	76	69.3 Å²	69.3	41%	0.406	34%	0.344	S	S	.	.			trans	-134	43.9	-168.8	-67.6	-76.2	0	0	0	112	K534 N535 F536 Y540	K534-N538 PolarHBondContact O-ND2 3.41Å; N535-N538 CarbonylContact O-C 3.55Å; N535-N538 PolarHBondContact O-N 3.45Å; F536-N538 VanDerWaalsContact C-N 3.32Å; N538-Y540 HydrophobicContact CB-CE2 4.05Å; N538-Y540 PolarHBondContact OD1-OH 2.85Å; N538-Y540 VanDerWaalsContact OD1-OH 3.09Å
539	I	91.1	Very high	85.5	Confident	36 Å²	36	70 Å²	70	19%	0.185	35%	0.351	C	S	.	.			trans	-100.5	124.9	172.7	-49.9	-178.1	0	0	0	108.1	Y452 T480 F484 F528 N535	Y452-I539 HydrophobicContact CD1-CG2 3.46Å; Y452-I539 VanDerWaalsContact CD1-CG2 3.46Å; Y452-I539 HydrophobicContact CE1-CG2 3.95Å; Y452-I539 HydrophobicContact CG-CG2 4.49Å; T480-I539 HydrophobicContact CG2-CG2 3.97Å; F484-I539 HydrophobicContact CD2-CG2 4.42Å; F484-I539 HydrophobicContact CE2-CG2 4.16Å; F528-I539 HydrophobicContact CE1-CD1 3.73Å; F528-I539 HydrophobicContact CE1-CG1 4.14Å; F528-I539 HydrophobicContact CZ-CD1 3.9Å; F528-I539 HydrophobicContact CZ-CG1 4.23Å; N535-I539 WeakPolarHBondContact O-CG1 3.5Å
540	Y	95.1	Very high	86.1	Confident	40 Å²	40	68.8 Å²	68.8	16%	0.157	35%	0.352	C	S	.	.			trans	-133.2	150.7	-173.9	-58.2	-60.3	0	0	0	111	Y452 N538 F615 K617	Y452-Y540 WeakPolarHBondContact CE1-O 3.39Å; Y452-Y540 PolarHBondContact OH-O 3.15Å; N538-Y540 HydrophobicContact CB-CE2 4.05Å; N538-Y540 PolarHBondContact OD1-OH 2.85Å; N538-Y540 VanDerWaalsContact OD1-OH 3.09Å; Y540-F615 WeakPolarHBondContact CD2-O 3.29Å; Y540-K617 HydrophobicContact CD1-CB 3.9Å; Y540-K617 HydrophobicContact CD1-CD 4.13Å; Y540-K617 HydrophobicContact CD1-CG 4.13Å; Y540-K617 HydrophobicContact CE1-CB 4.1Å; Y540-K617 HydrophobicContact CE1-CD 3.48Å; Y540-K617 VanDerWaalsContact CE1-CD 3.48Å; Y540-K617 HydrophobicContact CE1-CG 3.8Å; Y540-K617 HydrophobicContact CE2-CG 4.22Å; Y540-K617 HydrophobicContact CG-CB 4.15Å; Y540-K617 HydrophobicContact CG-CG 4.49Å; Y540-K617 VanDerWaalsContact OH-CE 3.29Å; Y540-K617 WeakPolarHBondContact OH-CE 3.14Å; Y540-K617 PolarHBondContact OH-NZ 2.69Å
541	P	96.1	Very high	87.2	Confident	65 Å²	65	61.1 Å²	61.1	42%	0.422	32%	0.319	S	S	.	.			trans	-60.1	158	172.3	26.6	-35.2	0	0	0	111.3	F484 S543	F484-P541 HydrophobicContact CD1-CB 3.69Å; F484-P541 HydrophobicContact CD1-CG 4.45Å; F484-P541 HydrophobicContact CE1-CB 4.1Å; F484-P541 HydrophobicContact CE1-CG 4.37Å; F484-P541 HydrophobicContact CG-CB 4.18Å; P541-S543 PolarHBondContact O-N 2.75Å
542	P	97.5	Very high	88.6	Confident	15 Å²	15	56.2 Å²	56.2	10%	0.097	29%	0.287	C	S	.	.			trans	-53.8	131.8	174.1	-28.4	38.2	0	0	0	112	Y452 F484 L485 Q488 V590 I594 F615	Y452-P542 WeakPolarHBondContact OH-CD 3.47Å; Y452-P542 WeakPolarHBondContact OH-CG 3.28Å; F484-P542 VanDerWaalsContact O-CD 3.28Å; F484-P542 WeakPolarHBondContact O-CD 3.5Å; L485-P542 HydrophobicContact CD2-CG 3.81Å; Q488-P542 HydrophobicContact CG-CG 4.07Å; P542-V590 HydrophobicContact CB-CG1 3.65Å; P542-I594 HydrophobicContact CB-CD1 4.23Å; P542-I594 HydrophobicContact CB-CG1 4.38Å; P542-F615 HydrophobicContact CB-CD1 4.36Å; P542-F615 HydrophobicContact CB-CD2 4.49Å; P542-F615 HydrophobicContact CB-CE1 4.1Å; P542-F615 HydrophobicContact CB-CE2 4.23Å; P542-F615 HydrophobicContact CB-CZ 4.04Å; P542-F615 HydrophobicContact CG-CD2 4.41Å; P542-F615 HydrophobicContact CG-CE2 4.07Å; P542-F615 HydrophobicContact CG-CZ 4.27Å
543	S	97.3	Very high	90	Very high	25 Å²	25	53.4 Å²	53.4	18%	0.175	28%	0.279	C	S	.	.			trans	-139	163.9	175.6	73.6	0	0	0	0	108.6	P541 V545 A593 S616	P541-S543 PolarHBondContact O-N 2.75Å; S543-V545 PolarHBondContact O-N 2.94Å; S543-V545 PolarHBondContact OG-N 2.9Å; S543-V545 PolarHBondContact OG-O 2.84Å; S543-A593 WeakPolarHBondContact O-CB 3.34Å; S543-S616 PolarHBondContact OG-O 2.79Å
544	H	97.3	Very high	90.9	Very high	71 Å²	71	56.7 Å²	56.7	33%	0.329	30%	0.301	S	S	.	.	S	Bend	trans	-77.7	6	176	66.1	-80.1	0	0	0	112.4	Q586 L587 V590	H544-Q586 PolarHBondContact CD2-NE2 3.2Å; H544-Q586 PolarHBondContact NE2-NE2 2.98Å; H544-Q586 WeakPolarHBondContact O-CA 3.33Å; H544-L587 PolarHBondContact CD2-O 3.15Å; H544-L587 PolarHBondContact O-N 3.43Å; H544-V590 HydrophobicContact CB-CG2 4.26Å
545	V	98.1	Very high	91.5	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.9	175.4	-171.7	0	0	0	0	110.2	S543 L584 V585 Q586 S616 S618 V620	S543-V545 PolarHBondContact O-N 2.94Å; S543-V545 PolarHBondContact OG-N 2.9Å; S543-V545 PolarHBondContact OG-O 2.84Å; V545-L584 HydrophobicContact CG1-CB 4.2Å; V545-V585 CarbonylContact C-O 3.59Å; V545-V585 WeakPolarHBondContact CA-O 3.34Å; V545-Q586 HydrophobicContact CG2-CB 4.23Å; V545-Q586 HydrophobicContact CG2-CG 3.98Å; V545-S616 VanDerWaalsContact O-CB 3.31Å; V545-S616 WeakPolarHBondContact O-CB 3.45Å; V545-S616 PolarHBondContact O-N 3.35Å; V545-S618 WeakPolarHBondContact CG1-O 3.36Å; V545-V620 HydrophobicContact CG1-CG2 4.04Å
546	L	98	Very high	92.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.2	178.6	-62.7	177.4	0	0	0	111	F564 L584 V585 A593 S596 L597 I613 S614 F615	L546-F564 HydrophobicContact CD1-CE1 4.2Å; L546-F564 HydrophobicContact CD1-CZ 4.31Å; L546-L584 WeakPolarHBondContact O-CA 3.47Å; L546-V585 PolarHBondContact N-O 3.18Å; L546-V585 PolarHBondContact O-N 3.06Å; L546-A593 HydrophobicContact CD1-CB 4.43Å; L546-A593 HydrophobicContact CD2-CB 4.11Å; L546-A593 HydrophobicContact CG-CB 4.16Å; L546-S596 WeakPolarHBondContact CD1-OG 3.34Å; L546-L597 HydrophobicContact CD2-CB 4.32Å; L546-L597 HydrophobicContact CD2-CD1 4.11Å; L546-I613 HydrophobicContact CB-CG2 4.07Å; L546-I613 HydrophobicContact CD1-CG2 3.91Å; L546-I613 HydrophobicContact CD2-CG2 4.09Å; L546-I613 HydrophobicContact CG-CG2 4.25Å; L546-S614 CarbonylContact C-O 3.51Å; L546-S614 WeakPolarHBondContact CA-O 3.47Å; L546-F615 HydrophobicContact CD2-CD1 3.66Å; L546-F615 HydrophobicContact CD2-CE1 3.85Å
547	H	96.3	Very high	92.7	Very high	49 Å²	49	48.1 Å²	48.1	23%	0.227	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.6	168	177.1	-74	0	0	0	109.5	L584 S614	H547-L584 HydrophobicContact CB-CD2 4.22Å; H547-S614 PolarHBondContact N-O 3.17Å; H547-S614 PolarHBondContact O-N 3.05Å
548	L	95.4	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.3	173	-60.2	-168.5	0	0	0	110.8	I551 I560 F564 M582 A583 V585 L611 I613	L548-I551 HydrophobicContact CB-CD1 3.94Å; L548-I560 HydrophobicContact CD1-CG2 3.66Å; L548-F564 HydrophobicContact CD1-CE2 4.05Å; L548-F564 HydrophobicContact CD1-CZ 4.5Å; L548-F564 HydrophobicContact CD2-CZ 4.35Å; L548-M582 CarbonylContact O-C 3.47Å; L548-M582 WeakPolarHBondContact O-CA 3.02Å; L548-M582 VanDerWaalsContact O-CB 3.29Å; L548-M582 WeakPolarHBondContact O-CB 3.43Å; L548-A583 HydrophobicContact CB-CB 4.33Å; L548-A583 PolarHBondContact N-O 3Å; L548-A583 PolarHBondContact O-N 2.97Å; L548-V585 HydrophobicContact CD1-CB 4.41Å; L548-V585 HydrophobicContact CD1-CG2 3.4Å; L548-V585 HydrophobicContact CG-CG2 3.87Å; L548-L611 HydrophobicContact CB-CD1 3.97Å; L548-L611 HydrophobicContact CD1-CD1 4.28Å; L548-L611 HydrophobicContact CD1-CD2 4.49Å; L548-L611 HydrophobicContact CD2-CD1 4.12Å; L548-L611 HydrophobicContact CD2-CD2 4.28Å; L548-L611 HydrophobicContact CD2-CG 4.36Å; L548-L611 HydrophobicContact CG-CD1 4.35Å; L548-I613 HydrophobicContact CD2-CB 4.17Å; L548-I613 HydrophobicContact CD2-CD1 3.86Å; L548-I613 HydrophobicContact CD2-CG1 3.62Å; L548-I613 HydrophobicContact CD2-CG2 3.91Å
549	S	92.3	Very high	93.6	Very high	28 Å²	28	46 Å²	46	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.6	178.4	57.1	0	0	0	0	111.8	R612	S549-R612 PolarHBondContact N-O 3.32Å; S549-R612 PolarHBondContact O-N 3.02Å; S549-R612 PolarHBondContact OG-O 3.37Å
550	N	89.7	Confident	93.7	Very high	82 Å²	82	44.2 Å²	44.2	44%	0.439	25%	0.253	S	S	.	.			trans	66.6	40	-171.7	-157.8	51.5	0	0	0	112.6	K581 S609 H610	N550-K581 PolarHBondContact N-O 2.74Å; N550-K581 VanDerWaalsContact N-O 3.15Å; N550-S609 PolarHBondContact ND2-OG 3.44Å; N550-S609 VanDerWaalsContact ND2-OG 3.15Å; N550-S609 PolarHBondContact O-OG 3.26Å; N550-H610 WeakPolarHBondContact CB-O 3.48Å; N550-H610 PolarHBondContact ND2-N 3.33Å; N550-H610 PolarHBondContact ND2-O 3.16Å
551	I	92.1	Very high	93.8	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	26%	0.261	C	S	.	.			trans	-85.7	125.6	173.4	-53.1	178	0	0	0	108.7	L548 V555 F576 K581 A583 L605 L611	L548-I551 HydrophobicContact CB-CD1 3.94Å; I551-V555 HydrophobicContact CG2-CB 3.82Å; I551-V555 HydrophobicContact CG2-CG1 3.96Å; I551-F576 HydrophobicContact CD1-CE1 4.16Å; I551-F576 HydrophobicContact CG2-CE1 4.28Å; I551-K581 PolarHBondContact N-O 3.06Å; I551-K581 WeakPolarHBondContact O-CA 3.43Å; I551-A583 HydrophobicContact CD1-CB 3.67Å; I551-L605 HydrophobicContact CB-CD1 4.48Å; I551-L605 HydrophobicContact CG1-CD1 4.39Å; I551-L605 HydrophobicContact CG2-CD1 4.31Å; I551-L611 HydrophobicContact CG1-CD1 4.19Å
552	P	87.9	Confident	93.7	Very high	15 Å²	15	47 Å²	47	10%	0.097	26%	0.263	C	S	.	.			trans	-65.9	145.8	172.9	-23	34.6	0	0	0	112.2	S554 V555 L605 T606 S609	P552-S554 PolarHBondContact O-N 3.34Å; P552-V555 HydrophobicContact CB-CG2 4.11Å; P552-V555 HydrophobicContact CG-CG2 4.08Å; P552-V555 PolarHBondContact O-N 3.27Å; P552-L605 HydrophobicContact CG-CB 4.3Å; P552-T606 HydrophobicContact CB-CG2 4.17Å; P552-T606 HydrophobicContact CG-CG2 3.83Å; P552-T606 WeakPolarHBondContact CG-OG1 3.46Å; P552-S609 VanDerWaalsContact CG-CB 3.5Å
553	P	86.8	Confident	93.5	Very high	109 Å²	109	47.3 Å²	47.3	71%	0.708	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.5	178.2	-25.2	34.8	0	0	0	115.5
554	S	88	Confident	93.4	Very high	89 Å²	89	46.1 Å²	46.1	62%	0.622	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.4	176.3	59	0	0	0	0	114.1	P552	P552-S554 PolarHBondContact O-N 3.34Å
555	V	90.2	Very high	93.3	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.091	26%	0.264	C	S	.	.			trans	-89.2	124.1	-176.7	175.1	0	0	0	0	109.1	I551 P552 D559 I560 L605	I551-V555 HydrophobicContact CG2-CB 3.82Å; I551-V555 HydrophobicContact CG2-CG1 3.96Å; P552-V555 HydrophobicContact CB-CG2 4.11Å; P552-V555 HydrophobicContact CG-CG2 4.08Å; P552-V555 PolarHBondContact O-N 3.27Å; V555-D559 HydrophobicContact CG1-CB 3.92Å; V555-I560 HydrophobicContact CG1-CD1 3.69Å; V555-I560 HydrophobicContact CG1-CG1 3.93Å; V555-L605 HydrophobicContact CG2-CB 4.29Å
556	T	92.8	Very high	93.1	Very high	69 Å²	69	49.5 Å²	49.5	42%	0.423	29%	0.288	S	S	.	.			trans	-89.9	168.2	-178.9	71.2	0	0	0	0	111.9	N558 D559 I560	T556-N558 PolarHBondContact O-N 3.1Å; T556-N558 PolarHBondContact OG1-N 2.92Å; T556-D559 WeakPolarHBondContact CA-OD2 3.23Å; T556-D559 WeakPolarHBondContact CB-OD2 3.43Å; T556-D559 PolarHBondContact N-OD2 2.96Å; T556-D559 PolarHBondContact O-N 3.05Å; T556-D559 PolarHBondContact OG1-N 2.91Å; T556-D559 PolarHBondContact OG1-OD2 3.19Å; T556-I560 PolarHBondContact O-N 3.33Å
557	E	94.9	Very high	92.7	Very high	68 Å²	68	51.4 Å²	51.4	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-36.9	171.5	166.9	168.6	167.5	0	0	111.9	I560 R561 F574 F576	E557-I560 PolarHBondContact O-N 3.08Å; E557-R561 VanDerWaalsContact CG-NH1 3.27Å; E557-R561 PolarHBondContact O-N 3.16Å; E557-R561 IonicContact OE1-CZ 2.68Å; E557-R561 IonicContact OE1-NH1 3.77Å; E557-R561 PolarHBondContact OE1-NH1 3.44Å; E557-R561 IonicContact OE1-NH2 2.8Å; E557-R561 PolarHBondContact OE1-NH2 3.35Å; E557-F574 HydrophobicContact CB-CD1 3.82Å; E557-F574 HydrophobicContact CB-CE1 3.57Å; E557-F574 HydrophobicContact CB-CG 4.47Å; E557-F574 HydrophobicContact CB-CZ 4.02Å; E557-F574 HydrophobicContact CG-CB 4.22Å; E557-F574 HydrophobicContact CG-CD1 3.33Å; E557-F574 HydrophobicContact CG-CD2 4.2Å; E557-F574 HydrophobicContact CG-CE1 3.65Å; E557-F574 HydrophobicContact CG-CE2 4.46Å; E557-F574 HydrophobicContact CG-CG 3.66Å; E557-F574 HydrophobicContact CG-CZ 4.22Å; E557-F574 VanDerWaalsContact OE2-CD1 3.28Å; E557-F574 WeakPolarHBondContact OE2-CD1 3.43Å; E557-F576 HydrophobicContact CB-CE2 3.88Å
558	N	95	Very high	92.6	Very high	104 Å²	104	52.3 Å²	52.3	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-64.3	-42.7	176.5	-174.9	74.1	0	0	0	111.6	T556 I560 R561 V562	T556-N558 PolarHBondContact O-N 3.1Å; T556-N558 PolarHBondContact OG1-N 2.92Å; N558-I560 VanDerWaalsContact C-N 3.3Å; N558-I560 PolarHBondContact O-N 3.32Å; N558-R561 PolarHBondContact O-N 2.89Å; N558-V562 WeakPolarHBondContact O-CB 3.42Å; N558-V562 WeakPolarHBondContact O-CG2 3.11Å; N558-V562 PolarHBondContact O-N 3.1Å
559	D	93.3	Very high	92.6	Very high	74 Å²	74	52.9 Å²	52.9	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-38.6	178.8	-55.6	-46.4	0	0	0	111.7	V555 T556 L563	V555-D559 HydrophobicContact CG1-CB 3.92Å; T556-D559 WeakPolarHBondContact CA-OD2 3.23Å; T556-D559 WeakPolarHBondContact CB-OD2 3.43Å; T556-D559 PolarHBondContact N-OD2 2.96Å; T556-D559 PolarHBondContact O-N 3.05Å; T556-D559 PolarHBondContact OG1-N 2.91Å; T556-D559 PolarHBondContact OG1-OD2 3.19Å; D559-L563 WeakPolarHBondContact O-CB 3.49Å; D559-L563 PolarHBondContact O-N 2.91Å
560	I	94.5	Very high	92.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-69.5	-42.1	174.2	-58.5	-63.6	0	0	0	111.4	L548 V555 T556 E557 N558 V562 L563 F564 F574 V585 L605	L548-I560 HydrophobicContact CD1-CG2 3.66Å; V555-I560 HydrophobicContact CG1-CD1 3.69Å; V555-I560 HydrophobicContact CG1-CG1 3.93Å; T556-I560 PolarHBondContact O-N 3.33Å; E557-I560 PolarHBondContact O-N 3.08Å; N558-I560 VanDerWaalsContact C-N 3.3Å; N558-I560 PolarHBondContact O-N 3.32Å; I560-V562 VanDerWaalsContact C-N 3.35Å; I560-V562 PolarHBondContact O-N 3.19Å; I560-L563 WeakPolarHBondContact O-CB 3.38Å; I560-L563 PolarHBondContact O-N 3.23Å; I560-F564 HydrophobicContact CG2-CD2 3.97Å; I560-F564 HydrophobicContact CG2-CE2 3.99Å; I560-F564 WeakPolarHBondContact O-CD2 3.4Å; I560-F564 PolarHBondContact O-N 3.44Å; I560-F574 HydrophobicContact CB-CE2 3.82Å; I560-F574 HydrophobicContact CB-CZ 4.49Å; I560-F574 HydrophobicContact CG1-CE2 4.24Å; I560-F574 HydrophobicContact CG1-CZ 4.5Å; I560-F574 HydrophobicContact CG2-CD2 4.45Å; I560-F574 HydrophobicContact CG2-CE2 3.77Å; I560-V585 HydrophobicContact CG2-CG2 4.28Å; I560-L605 HydrophobicContact CD1-CD1 4.16Å; I560-L605 HydrophobicContact CD1-CD2 3.99Å
561	R	96.4	Very high	93.2	Very high	86 Å²	86	55.9 Å²	55.9	33%	0.325	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-43.9	174.6	-77.5	-148	-177.5	77.1	7.2	111.9	E557 N558 L563 F564 A565 V571	E557-R561 VanDerWaalsContact CG-NH1 3.27Å; E557-R561 PolarHBondContact O-N 3.16Å; E557-R561 IonicContact OE1-CZ 2.68Å; E557-R561 IonicContact OE1-NH1 3.77Å; E557-R561 PolarHBondContact OE1-NH1 3.44Å; E557-R561 IonicContact OE1-NH2 2.8Å; E557-R561 PolarHBondContact OE1-NH2 3.35Å; N558-R561 PolarHBondContact O-N 2.89Å; R561-L563 PolarHBondContact O-N 2.73Å; R561-F564 PolarHBondContact O-N 2.74Å; R561-A565 WeakPolarHBondContact O-CB 3.45Å; R561-A565 PolarHBondContact O-N 3.01Å; R561-V571 HydrophobicContact CG-CB 3.96Å; R561-V571 HydrophobicContact CG-CG1 4.1Å; R561-V571 HydrophobicContact CG-CG2 4.34Å
562	V	94.1	Very high	93.5	Very high	76 Å²	76	59.4 Å²	59.4	46%	0.461	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-45.2	175.3	170.6	0	0	0	0	110.4	N558 I560 F564 A565 T566	N558-V562 WeakPolarHBondContact O-CB 3.42Å; N558-V562 WeakPolarHBondContact O-CG2 3.11Å; N558-V562 PolarHBondContact O-N 3.1Å; I560-V562 VanDerWaalsContact C-N 3.35Å; I560-V562 PolarHBondContact O-N 3.19Å; V562-F564 VanDerWaalsContact C-N 3.35Å; V562-F564 PolarHBondContact O-N 2.97Å; V562-A565 PolarHBondContact O-N 2.83Å; V562-A565 VanDerWaalsContact O-N 3.17Å; V562-T566 HydrophobicContact CG1-CG2 4.26Å; V562-T566 WeakPolarHBondContact O-CG2 3.3Å; V562-T566 PolarHBondContact O-N 2.8Å
563	L	93	Very high	93.9	Very high	23 Å²	23	59.2 Å²	59.2	12%	0.12	35%	0.353	C	S	.	.	H	α-helix	trans	-56	-45.7	176	176.6	63.5	0	0	0	112.3	D559 I560 R561 T566 L600 L605 L611	D559-L563 WeakPolarHBondContact O-CB 3.49Å; D559-L563 PolarHBondContact O-N 2.91Å; I560-L563 WeakPolarHBondContact O-CB 3.38Å; I560-L563 PolarHBondContact O-N 3.23Å; R561-L563 PolarHBondContact O-N 2.73Å; L563-T566 PolarHBondContact O-N 3.17Å; L563-T566 PolarHBondContact O-OG1 3.15Å; L563-L600 HydrophobicContact CD1-CD2 3.92Å; L563-L600 HydrophobicContact CG-CD2 3.91Å; L563-L605 HydrophobicContact CD2-CD2 3.7Å; L563-L611 HydrophobicContact CD2-CD2 3.92Å
564	F	96	Very high	94.4	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-43.9	175.2	-87.2	-108.4	0	0	0	112.1	L546 L548 I560 R561 V562 T566 K567 G568 F569 V571 V585 L587 L600	L546-F564 HydrophobicContact CD1-CE1 4.2Å; L546-F564 HydrophobicContact CD1-CZ 4.31Å; L548-F564 HydrophobicContact CD1-CE2 4.05Å; L548-F564 HydrophobicContact CD1-CZ 4.5Å; L548-F564 HydrophobicContact CD2-CZ 4.35Å; I560-F564 HydrophobicContact CG2-CD2 3.97Å; I560-F564 HydrophobicContact CG2-CE2 3.99Å; I560-F564 WeakPolarHBondContact O-CD2 3.4Å; I560-F564 PolarHBondContact O-N 3.44Å; R561-F564 PolarHBondContact O-N 2.74Å; V562-F564 VanDerWaalsContact C-N 3.35Å; V562-F564 PolarHBondContact O-N 2.97Å; F564-T566 VanDerWaalsContact C-N 3.3Å; F564-T566 PolarHBondContact O-N 3.27Å; F564-K567 PolarHBondContact O-N 2.96Å; F564-G568 PolarHBondContact O-N 2.92Å; F564-F569 CarbonylContact C-O 3.6Å; F564-F569 VanDerWaalsContact C-O 3.28Å; F564-F569 HydrophobicContact CB-CB 4.27Å; F564-F569 HydrophobicContact CD1-CB 3.96Å; F564-F569 PolarHBondContact O-N 2.84Å; F564-F569 VanDerWaalsContact O-N 3.08Å; F564-V571 HydrophobicContact CB-CG2 3.57Å; F564-V571 HydrophobicContact CD1-CG2 3.98Å; F564-V571 HydrophobicContact CD2-CG2 4.38Å; F564-V571 HydrophobicContact CG-CG2 3.72Å; F564-V585 HydrophobicContact CD1-CG1 4.29Å; F564-V585 HydrophobicContact CE1-CG1 3.86Å; F564-V585 HydrophobicContact CE2-CG1 4.26Å; F564-V585 HydrophobicContact CZ-CB 4.38Å; F564-V585 HydrophobicContact CZ-CG1 3.85Å; F564-L587 HydrophobicContact CD1-CD1 4.49Å; F564-L587 HydrophobicContact CD1-CD2 4Å; F564-L587 HydrophobicContact CE1-CD1 4.33Å; F564-L587 HydrophobicContact CE1-CD2 4.3Å; F564-L600 HydrophobicContact CB-CD1 4.33Å; F564-L600 HydrophobicContact CD1-CD1 3.65Å; F564-L600 HydrophobicContact CD2-CD1 3.61Å; F564-L600 HydrophobicContact CE1-CD1 3.73Å; F564-L600 HydrophobicContact CE2-CD1 3.69Å; F564-L600 HydrophobicContact CG-CD1 3.59Å; F564-L600 HydrophobicContact CZ-CD1 3.75Å
565	A	95.5	Very high	94.8	Very high	62 Å²	62	57.3 Å²	57.3	51%	0.512	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-32.1	178	0	0	0	0	0	113	R561 V562 K567 G568 F569	R561-A565 WeakPolarHBondContact O-CB 3.45Å; R561-A565 PolarHBondContact O-N 3.01Å; V562-A565 PolarHBondContact O-N 2.83Å; V562-A565 VanDerWaalsContact O-N 3.17Å; A565-K567 PolarHBondContact O-N 3.28Å; A565-K567 VanDerWaalsContact O-N 3.1Å; A565-G568 PolarHBondContact O-N 3.44Å; A565-F569 PolarHBondContact N-O 2.94Å
566	T	92.6	Very high	95	Very high	86 Å²	86	58.7 Å²	58.7	53%	0.528	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.9	174.6	70.5	0	0	0	0	113.8	V562 L563 F564	V562-T566 HydrophobicContact CG1-CG2 4.26Å; V562-T566 WeakPolarHBondContact O-CG2 3.3Å; V562-T566 PolarHBondContact O-N 2.8Å; L563-T566 PolarHBondContact O-N 3.17Å; L563-T566 PolarHBondContact O-OG1 3.15Å; F564-T566 VanDerWaalsContact C-N 3.3Å; F564-T566 PolarHBondContact O-N 3.27Å
567	K	90.6	Very high	94.8	Very high	40 Å²	40	57.7 Å²	57.7	17%	0.174	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	4	174.6	-63.4	-57.4	-151.6	132.8	0	113.5	M174 F564 A565 F569 E599 L600	M174-K567 HydrophobicContact CE-CD 3.56Å; M174-K567 HydrophobicContact SD-CD 4.35Å; M174-K567 PolarHBondContact SD-NZ 2.78Å; F564-K567 PolarHBondContact O-N 2.96Å; A565-K567 PolarHBondContact O-N 3.28Å; A565-K567 VanDerWaalsContact O-N 3.1Å; K567-F569 HydrophobicContact CB-CD2 3.5Å; K567-F569 VanDerWaalsContact CB-CD2 3.5Å; K567-F569 HydrophobicContact CB-CE2 3.5Å; K567-F569 VanDerWaalsContact CB-CE2 3.5Å; K567-F569 HydrophobicContact CG-CE2 4.41Å; K567-E599 WeakPolarHBondContact CD-OE2 3.44Å; K567-E599 IonicContact NZ-OE2 3.21Å; K567-E599 PolarHBondContact NZ-OE2 2.82Å; K567-L600 HydrophobicContact CG-CD2 3.54Å; K567-L600 HydrophobicContact CG-CG 4.14Å
568	G	93.5	Very high	93.8	Very high	68 Å²	68	61.8 Å²	61.8	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	18.9	-176.6	0	0	0	0	0	114.8	F564 A565	F564-G568 PolarHBondContact O-N 2.92Å; A565-G568 PolarHBondContact O-N 3.44Å
569	F	96.4	Very high	93.1	Very high	12 Å²	12	61.5 Å²	61.5	5%	0.053	33%	0.33	C	S	.	.			trans	-99.7	121.3	174.6	-56.3	-63.8	0	0	0	111.1	F564 A565 K567 L587 L592 Q595 S596 E599 L600	F564-F569 CarbonylContact C-O 3.6Å; F564-F569 VanDerWaalsContact C-O 3.28Å; F564-F569 HydrophobicContact CB-CB 4.27Å; F564-F569 HydrophobicContact CD1-CB 3.96Å; F564-F569 PolarHBondContact O-N 2.84Å; F564-F569 VanDerWaalsContact O-N 3.08Å; A565-F569 PolarHBondContact N-O 2.94Å; K567-F569 HydrophobicContact CB-CD2 3.5Å; K567-F569 VanDerWaalsContact CB-CD2 3.5Å; K567-F569 HydrophobicContact CB-CE2 3.5Å; K567-F569 VanDerWaalsContact CB-CE2 3.5Å; K567-F569 HydrophobicContact CG-CE2 4.41Å; F569-L587 HydrophobicContact CB-CD1 4.35Å; F569-L587 HydrophobicContact CB-CD2 4.33Å; F569-L592 HydrophobicContact CD1-CD2 4.17Å; F569-L592 HydrophobicContact CE1-CD2 4.2Å; F569-Q595 HydrophobicContact CE1-CB 3.86Å; F569-Q595 HydrophobicContact CZ-CB 3.9Å; F569-S596 VanDerWaalsContact CD2-CB 3.45Å; F569-S596 VanDerWaalsContact CE2-CA 3.42Å; F569-E599 HydrophobicContact CE2-CB 4.2Å; F569-L600 HydrophobicContact CD2-CD1 4.32Å
570	E	96.8	Very high	92.6	Very high	159 Å²	159	61.6 Å²	61.6	74%	0.743	33%	0.33	S	S	*	.			trans	-86.9	123.9	175	-172.3	175.1	166.9	0	0	111.4	T572 L587	E570-T572 PolarHBondContact O-N 3.29Å; E570-L587 WeakPolarHBondContact O-CD2 3.41Å
571	V	97.6	Very high	92.4	Very high	15 Å²	15	66.7 Å²	66.7	9%	0.091	35%	0.352	C	S	.	.			trans	-86.9	99.3	-179.8	175.6	0	0	0	0	110.5	R561 F564 G573 F574 V585 L587	R561-V571 HydrophobicContact CG-CB 3.96Å; R561-V571 HydrophobicContact CG-CG1 4.1Å; R561-V571 HydrophobicContact CG-CG2 4.34Å; F564-V571 HydrophobicContact CB-CG2 3.57Å; F564-V571 HydrophobicContact CD1-CG2 3.98Å; F564-V571 HydrophobicContact CD2-CG2 4.38Å; F564-V571 HydrophobicContact CG-CG2 3.72Å; V571-G573 VanDerWaalsContact C-N 3.35Å; V571-G573 VanDerWaalsContact CG1-O 3.24Å; V571-G573 WeakPolarHBondContact CG1-O 3.32Å; V571-F574 HydrophobicContact CG1-CB 4.2Å; V571-V585 HydrophobicContact CB-CG1 4.43Å; V571-V585 HydrophobicContact CG1-CG1 3.82Å; V571-V585 HydrophobicContact CG2-CG1 3.82Å; V571-L587 HydrophobicContact CG2-CD2 4.17Å
572	T	97.5	Very high	92.2	Very high	78 Å²	78	66 Å²	66	48%	0.479	35%	0.354	S	S	.	.	S	Bend	trans	-75.3	-22.1	-178.6	58.6	0	0	0	0	113.3	E570 Q586 E588	E570-T572 PolarHBondContact O-N 3.29Å; T572-Q586 PolarHBondContact N-O 2.87Å; T572-Q586 PolarHBondContact OG1-O 2.72Å; T572-E588 HydrophobicContact CG2-CB 4.4Å
573	G	96.6	Very high	92.3	Very high	11 Å²	11	62.4 Å²	62.4	11%	0.113	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.3	175.5	0	0	0	0	0	112	V571 Q586	V571-G573 VanDerWaalsContact C-N 3.35Å; V571-G573 VanDerWaalsContact CG1-O 3.24Å; V571-G573 WeakPolarHBondContact CG1-O 3.32Å; G573-Q586 PolarHBondContact N-O 2.99Å; G573-Q586 PolarHBondContact O-N 3.4Å
574	F	97.4	Very high	92.5	Very high	19 Å²	19	61.6 Å²	61.6	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.4	178.2	-174.6	-80.4	0	0	0	110.8	E557 I560 V571 F576 A583 L584 V585 V620	E557-F574 HydrophobicContact CB-CD1 3.82Å; E557-F574 HydrophobicContact CB-CE1 3.57Å; E557-F574 HydrophobicContact CB-CG 4.47Å; E557-F574 HydrophobicContact CB-CZ 4.02Å; E557-F574 HydrophobicContact CG-CB 4.22Å; E557-F574 HydrophobicContact CG-CD1 3.33Å; E557-F574 HydrophobicContact CG-CD2 4.2Å; E557-F574 HydrophobicContact CG-CE1 3.65Å; E557-F574 HydrophobicContact CG-CE2 4.46Å; E557-F574 HydrophobicContact CG-CG 3.66Å; E557-F574 HydrophobicContact CG-CZ 4.22Å; E557-F574 VanDerWaalsContact OE2-CD1 3.28Å; E557-F574 WeakPolarHBondContact OE2-CD1 3.43Å; I560-F574 HydrophobicContact CB-CE2 3.82Å; I560-F574 HydrophobicContact CB-CZ 4.49Å; I560-F574 HydrophobicContact CG1-CE2 4.24Å; I560-F574 HydrophobicContact CG1-CZ 4.5Å; I560-F574 HydrophobicContact CG2-CD2 4.45Å; I560-F574 HydrophobicContact CG2-CE2 3.77Å; V571-F574 HydrophobicContact CG1-CB 4.2Å; F574-F576 HydrophobicContact CE1-CD1 4.16Å; F574-F576 AromaticContact CE1-CD2 3.62Å; F574-F576 HydrophobicContact CE1-CD2 3.62Å; F574-F576 HydrophobicContact CE1-CE1 4.23Å; F574-F576 AromaticContact CE1-CE2 3.7Å; F574-F576 HydrophobicContact CE1-CE2 3.7Å; F574-F576 AromaticContact CE1-CG 3.86Å; F574-F576 HydrophobicContact CE1-CG 3.86Å; F574-F576 HydrophobicContact CE1-CZ 4.01Å; F574-F576 HydrophobicContact CZ-CD1 4.11Å; F574-F576 HydrophobicContact CZ-CD2 4.2Å; F574-F576 AromaticContact CZ-CE1 3.84Å; F574-F576 HydrophobicContact CZ-CE1 3.84Å; F574-F576 AromaticContact CZ-CE2 3.93Å; F574-F576 HydrophobicContact CZ-CE2 3.93Å; F574-F576 HydrophobicContact CZ-CG 4.28Å; F574-F576 AromaticContact CZ-CZ 3.75Å; F574-F576 HydrophobicContact CZ-CZ 3.75Å; F574-A583 HydrophobicContact CE1-CB 4.21Å; F574-A583 HydrophobicContact CE2-CB 3.92Å; F574-A583 HydrophobicContact CZ-CB 3.56Å; F574-L584 WeakPolarHBondContact CA-O 3.22Å; F574-V585 HydrophobicContact CD2-CG2 3.69Å; F574-V585 HydrophobicContact CE2-CG2 3.86Å; F574-V620 VanDerWaalsContact C-CG1 3.44Å; F574-V620 WeakPolarHBondContact O-CG1 3.46Å
575	R	95.3	Very high	92.6	Very high	139 Å²	139	61.6 Å²	61.6	53%	0.525	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	129.5	168.4	177.2	-179.6	177.8	-169.8	4.5	112.5	A583 L584 V620	R575-A583 CarbonylContact O-C 3.58Å; R575-A583 VanDerWaalsContact O-CA 3.24Å; R575-A583 WeakPolarHBondContact O-CA 3.46Å; R575-L584 PolarHBondContact N-O 2.95Å; R575-L584 PolarHBondContact O-N 3.42Å; R575-V620 HydrophobicContact CB-CG1 3.66Å; R575-V620 WeakPolarHBondContact CD-OXT 3.47Å; R575-V620 PolarHBondContact NH1-OXT 3.35Å
576	F	95.1	Very high	92.7	Very high	44 Å²	44	61.3 Å²	61.3	19%	0.193	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.7	164.7	-79.5	-62	0	0	0	112.1	I551 E557 F574 N580 A583	I551-F576 HydrophobicContact CD1-CE1 4.16Å; I551-F576 HydrophobicContact CG2-CE1 4.28Å; E557-F576 HydrophobicContact CB-CE2 3.88Å; F574-F576 HydrophobicContact CE1-CD1 4.16Å; F574-F576 AromaticContact CE1-CD2 3.62Å; F574-F576 HydrophobicContact CE1-CD2 3.62Å; F574-F576 HydrophobicContact CE1-CE1 4.23Å; F574-F576 AromaticContact CE1-CE2 3.7Å; F574-F576 HydrophobicContact CE1-CE2 3.7Å; F574-F576 AromaticContact CE1-CG 3.86Å; F574-F576 HydrophobicContact CE1-CG 3.86Å; F574-F576 HydrophobicContact CE1-CZ 4.01Å; F574-F576 HydrophobicContact CZ-CD1 4.11Å; F574-F576 HydrophobicContact CZ-CD2 4.2Å; F574-F576 AromaticContact CZ-CE1 3.84Å; F574-F576 HydrophobicContact CZ-CE1 3.84Å; F574-F576 AromaticContact CZ-CE2 3.93Å; F574-F576 HydrophobicContact CZ-CE2 3.93Å; F574-F576 HydrophobicContact CZ-CG 4.28Å; F574-F576 AromaticContact CZ-CZ 3.75Å; F574-F576 HydrophobicContact CZ-CZ 3.75Å; F576-N580 WeakPolarHBondContact CB-OD1 3.31Å; F576-N580 HydrophobicContact CD1-CB 4.06Å; F576-N580 HydrophobicContact CE1-CB 4.37Å; F576-N580 HydrophobicContact CG-CB 4.31Å; F576-A583 HydrophobicContact CD1-CB 3.92Å; F576-A583 HydrophobicContact CE1-CB 4.22Å
577	M	89.4	Confident	93	Very high	47 Å²	47	57.3 Å²	57.3	23%	0.232	29%	0.291	C	S	.	.			trans	-84.8	163.4	166.6	-73.9	173.7	-91.4	0	0	110.6	D579 N580 M582 A583 L584	M577-D579 PolarHBondContact O-N 3.1Å; M577-N580 PolarHBondContact O-N 3.43Å; M577-M582 HydrophobicContact CB-CB 4.38Å; M577-M582 HydrophobicContact CE-CB 3.5Å; M577-M582 PolarHBondContact N-O 3.42Å; M577-M582 HydrophobicContact SD-CB 4.33Å; M577-M582 HydrophobicContact SD-CE 4.24Å; M577-A583 WeakPolarHBondContact CE-O 3.49Å; M577-L584 HydrophobicContact CE-CD2 3.92Å; M577-L584 HydrophobicContact CE-CG 4.07Å
578	K	73.4	Confident	93.3	Very high	154 Å²	154	62.6 Å²	62.6	67%	0.67	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.7	-19.3	-161.5	-68	-171.9	176.9	-177.8	0	118.9	N301	N301-K578 PolarHBondContact O-NZ 3.24Å
579	D	79.4	Confident	93.4	Very high	99 Å²	99	61.8 Å²	61.8	53%	0.529	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-0	-177.1	-81.1	30.6	0	0	0	114.1	M577 K581	M577-D579 PolarHBondContact O-N 3.1Å; D579-K581 HydrophobicContact CB-CB 4.34Å; D579-K581 HydrophobicContact CB-CD 4Å; D579-K581 HydrophobicContact CB-CG 4.14Å; D579-K581 PolarHBondContact O-N 3.34Å; D579-K581 IonicContact OD2-NZ 3.79Å; D579-K581 PolarHBondContact OD2-NZ 3.42Å
580	N	83.5	Confident	93.5	Very high	75 Å²	75	63.1 Å²	63.1	40%	0.401	31%	0.307	S	S	.	.	S	Bend	trans	55.8	-5.9	-166.5	-63.8	3.1	0	0	0	116.3	F576 M577 M582	F576-N580 WeakPolarHBondContact CB-OD1 3.31Å; F576-N580 HydrophobicContact CD1-CB 4.06Å; F576-N580 HydrophobicContact CE1-CB 4.37Å; F576-N580 HydrophobicContact CG-CB 4.31Å; M577-N580 PolarHBondContact O-N 3.43Å; N580-M582 PolarHBondContact O-N 3.41Å
581	K	89.5	Confident	93.5	Very high	107 Å²	107	57.6 Å²	57.6	47%	0.465	28%	0.283	S	S	.	.	S	Bend	trans	-66.5	-12.6	175.4	-64.4	168	-165.6	150.6	0	114.6	N550 I551 D579	N550-K581 PolarHBondContact N-O 2.74Å; N550-K581 VanDerWaalsContact N-O 3.15Å; I551-K581 PolarHBondContact N-O 3.06Å; I551-K581 WeakPolarHBondContact O-CA 3.43Å; D579-K581 HydrophobicContact CB-CB 4.34Å; D579-K581 HydrophobicContact CB-CD 4Å; D579-K581 HydrophobicContact CB-CG 4.14Å; D579-K581 PolarHBondContact O-N 3.34Å; D579-K581 IonicContact OD2-NZ 3.79Å; D579-K581 PolarHBondContact OD2-NZ 3.42Å
582	M	92.9	Very high	93.5	Very high	73 Å²	73	59.3 Å²	59.3	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.9	-175.8	-53.4	-176.7	-60.1	0	0	109.2	L548 M577 N580	L548-M582 CarbonylContact O-C 3.47Å; L548-M582 WeakPolarHBondContact O-CA 3.02Å; L548-M582 VanDerWaalsContact O-CB 3.29Å; L548-M582 WeakPolarHBondContact O-CB 3.43Å; M577-M582 HydrophobicContact CB-CB 4.38Å; M577-M582 HydrophobicContact CE-CB 3.5Å; M577-M582 PolarHBondContact N-O 3.42Å; M577-M582 HydrophobicContact SD-CB 4.33Å; M577-M582 HydrophobicContact SD-CE 4.24Å; N580-M582 PolarHBondContact O-N 3.41Å
583	A	96.4	Very high	93.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.7	177.3	0	0	0	0	0	111.4	L548 I551 F574 R575 F576 M577	L548-A583 HydrophobicContact CB-CB 4.33Å; L548-A583 PolarHBondContact N-O 3Å; L548-A583 PolarHBondContact O-N 2.97Å; I551-A583 HydrophobicContact CD1-CB 3.67Å; F574-A583 HydrophobicContact CE1-CB 4.21Å; F574-A583 HydrophobicContact CE2-CB 3.92Å; F574-A583 HydrophobicContact CZ-CB 3.56Å; R575-A583 CarbonylContact O-C 3.58Å; R575-A583 VanDerWaalsContact O-CA 3.24Å; R575-A583 WeakPolarHBondContact O-CA 3.46Å; F576-A583 HydrophobicContact CD1-CB 3.92Å; F576-A583 HydrophobicContact CE1-CB 4.22Å; M577-A583 WeakPolarHBondContact CE-O 3.49Å
584	L	97.3	Very high	93.6	Very high	6 Å²	6	55 Å²	55	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.2	163.4	-61.1	-178.9	0	0	0	108.6	V545 L546 H547 F574 R575 M577 S616 A619 V620	V545-L584 HydrophobicContact CG1-CB 4.2Å; L546-L584 WeakPolarHBondContact O-CA 3.47Å; H547-L584 HydrophobicContact CB-CD2 4.22Å; F574-L584 WeakPolarHBondContact CA-O 3.22Å; R575-L584 PolarHBondContact N-O 2.95Å; R575-L584 PolarHBondContact O-N 3.42Å; M577-L584 HydrophobicContact CE-CD2 3.92Å; M577-L584 HydrophobicContact CE-CG 4.07Å; L584-S616 WeakPolarHBondContact CD2-OG 3.33Å; L584-A619 VanDerWaalsContact CD1-O 3.23Å; L584-A619 WeakPolarHBondContact CD1-O 3.47Å; L584-V620 HydrophobicContact CB-CG2 4.01Å
585	V	97.7	Very high	93.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124	178.3	175.7	0	0	0	0	108.6	V545 L546 L548 I560 F564 V571 F574 L587	V545-V585 CarbonylContact C-O 3.59Å; V545-V585 WeakPolarHBondContact CA-O 3.34Å; L546-V585 PolarHBondContact N-O 3.18Å; L546-V585 PolarHBondContact O-N 3.06Å; L548-V585 HydrophobicContact CD1-CB 4.41Å; L548-V585 HydrophobicContact CD1-CG2 3.4Å; L548-V585 HydrophobicContact CG-CG2 3.87Å; I560-V585 HydrophobicContact CG2-CG2 4.28Å; F564-V585 HydrophobicContact CD1-CG1 4.29Å; F564-V585 HydrophobicContact CE1-CG1 3.86Å; F564-V585 HydrophobicContact CE2-CG1 4.26Å; F564-V585 HydrophobicContact CZ-CB 4.38Å; F564-V585 HydrophobicContact CZ-CG1 3.85Å; V571-V585 HydrophobicContact CB-CG1 4.43Å; V571-V585 HydrophobicContact CG1-CG1 3.82Å; V571-V585 HydrophobicContact CG2-CG1 3.82Å; F574-V585 HydrophobicContact CD2-CG2 3.69Å; F574-V585 HydrophobicContact CE2-CG2 3.86Å; V585-L587 HydrophobicContact CG1-CD2 4.46Å
586	Q	98.1	Very high	93.7	Very high	56 Å²	56	48.9 Å²	48.9	26%	0.262	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.1	177.4	-171.5	174	3.9	0	0	109.9	H544 V545 T572 G573 V620	H544-Q586 PolarHBondContact CD2-NE2 3.2Å; H544-Q586 PolarHBondContact NE2-NE2 2.98Å; H544-Q586 WeakPolarHBondContact O-CA 3.33Å; V545-Q586 HydrophobicContact CG2-CB 4.23Å; V545-Q586 HydrophobicContact CG2-CG 3.98Å; T572-Q586 PolarHBondContact N-O 2.87Å; T572-Q586 PolarHBondContact OG1-O 2.72Å; G573-Q586 PolarHBondContact N-O 2.99Å; G573-Q586 PolarHBondContact O-N 3.4Å; Q586-V620 HydrophobicContact CB-CG2 3.68Å
587	L	97.8	Very high	93.8	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.231	C	C	.	.			trans	-115.8	169.4	169.3	-57.4	-175.6	0	0	0	109.3	H544 F564 F569 E570 V571 V585 T589 L592 S596	H544-L587 PolarHBondContact CD2-O 3.15Å; H544-L587 PolarHBondContact O-N 3.43Å; F564-L587 HydrophobicContact CD1-CD1 4.49Å; F564-L587 HydrophobicContact CD1-CD2 4Å; F564-L587 HydrophobicContact CE1-CD1 4.33Å; F564-L587 HydrophobicContact CE1-CD2 4.3Å; F569-L587 HydrophobicContact CB-CD1 4.35Å; F569-L587 HydrophobicContact CB-CD2 4.33Å; E570-L587 WeakPolarHBondContact O-CD2 3.41Å; V571-L587 HydrophobicContact CG2-CD2 4.17Å; V585-L587 HydrophobicContact CG1-CD2 4.46Å; L587-T589 PolarHBondContact O-N 3.06Å; L587-L592 HydrophobicContact CB-CB 4.32Å; L587-L592 HydrophobicContact CD1-CB 4.07Å; L587-L592 WeakPolarHBondContact CD1-O 3.31Å; L587-S596 WeakPolarHBondContact CD1-OG 3.33Å
588	E	97	Very high	94.1	Very high	151 Å²	151	45.1 Å²	45.1	71%	0.706	22%	0.223	S	C	*	.	S	Bend	trans	-61	-40	-178.9	-170.6	-172.8	-174.9	0	0	113.3	T572 L592	T572-E588 HydrophobicContact CG2-CB 4.4Å; E588-L592 HydrophobicContact CB-CD1 4.21Å
589	T	97	Very high	95.1	Very high	51 Å²	51	41.1 Å²	41.1	31%	0.313	21%	0.206	S	C	.	.			trans	-135.8	159.9	-173.8	69.1	0	0	0	0	113.2	L587 D591 L592 A593	L587-T589 PolarHBondContact O-N 3.06Å; T589-D591 VanDerWaalsContact C-N 3.3Å; T589-L592 PolarHBondContact O-N 2.83Å; T589-L592 VanDerWaalsContact OG1-CG 3.31Å; T589-L592 WeakPolarHBondContact OG1-CG 3.41Å; T589-L592 PolarHBondContact OG1-N 2.83Å; T589-A593 PolarHBondContact O-N 2.88Å; T589-A593 VanDerWaalsContact O-N 3.12Å
590	V	97.3	Very high	95.9	Very high	39 Å²	39	36.5 Å²	36.5	24%	0.236	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-38	174	-174.9	0	0	0	0	110.6	P542 H544 L592 A593 I594	P542-V590 HydrophobicContact CB-CG1 3.65Å; H544-V590 HydrophobicContact CB-CG2 4.26Å; V590-L592 VanDerWaalsContact C-N 3.32Å; V590-L592 PolarHBondContact O-N 3.06Å; V590-A593 WeakPolarHBondContact O-CB 3.47Å; V590-A593 PolarHBondContact O-N 2.9Å; V590-A593 VanDerWaalsContact O-N 3.12Å; V590-I594 HydrophobicContact CG1-CD1 4.08Å; V590-I594 HydrophobicContact CG1-CG1 4.47Å; V590-I594 WeakPolarHBondContact O-CG1 3.49Å; V590-I594 PolarHBondContact O-N 3.23Å
591	D	96.8	Very high	96.3	Very high	44 Å²	44	33.9 Å²	33.9	24%	0.235	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-42	175.9	-58.3	-123.2	0	0	0	112.1	R489 T589 Q595	R489-D591 WeakPolarHBondContact CB-OD1 3.44Å; R489-D591 WeakPolarHBondContact CD-OD1 3.46Å; T589-D591 VanDerWaalsContact C-N 3.3Å; D591-Q595 VanDerWaalsContact O-CG 3.29Å; D591-Q595 WeakPolarHBondContact O-CG 3.46Å; D591-Q595 PolarHBondContact O-N 2.96Å; D591-Q595 VanDerWaalsContact O-N 3.15Å; D591-Q595 PolarHBondContact O-NE2 3.37Å
592	L	97.4	Very high	96.4	Very high	50 Å²	50	31.4 Å²	31.4	26%	0.262	16%	0.159	S	C	.	.	H	α-helix	trans	-72.4	-35.1	174.9	-68.5	172.7	0	0	0	112.1	F569 L587 E588 T589 V590 Q595 S596	F569-L592 HydrophobicContact CD1-CD2 4.17Å; F569-L592 HydrophobicContact CE1-CD2 4.2Å; L587-L592 HydrophobicContact CB-CB 4.32Å; L587-L592 HydrophobicContact CD1-CB 4.07Å; L587-L592 WeakPolarHBondContact CD1-O 3.31Å; E588-L592 HydrophobicContact CB-CD1 4.21Å; T589-L592 PolarHBondContact O-N 2.83Å; T589-L592 VanDerWaalsContact OG1-CG 3.31Å; T589-L592 WeakPolarHBondContact OG1-CG 3.41Å; T589-L592 PolarHBondContact OG1-N 2.83Å; V590-L592 VanDerWaalsContact C-N 3.32Å; V590-L592 PolarHBondContact O-N 3.06Å; L592-Q595 PolarHBondContact O-N 3.36Å; L592-S596 WeakPolarHBondContact O-CB 3.4Å; L592-S596 PolarHBondContact O-N 3.15Å; L592-S596 PolarHBondContact O-OG 3.32Å
593	A	98.1	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-37	174.2	0	0	0	0	0	112.8	S543 L546 T589 V590 S596 L597 F615	S543-A593 WeakPolarHBondContact O-CB 3.34Å; L546-A593 HydrophobicContact CD1-CB 4.43Å; L546-A593 HydrophobicContact CD2-CB 4.11Å; L546-A593 HydrophobicContact CG-CB 4.16Å; T589-A593 PolarHBondContact O-N 2.88Å; T589-A593 VanDerWaalsContact O-N 3.12Å; V590-A593 WeakPolarHBondContact O-CB 3.47Å; V590-A593 PolarHBondContact O-N 2.9Å; V590-A593 VanDerWaalsContact O-N 3.12Å; A593-S596 WeakPolarHBondContact CA-OG 3.38Å; A593-S596 PolarHBondContact O-OG 2.83Å; A593-L597 WeakPolarHBondContact O-CB 3.24Å; A593-L597 PolarHBondContact O-N 3.01Å; A593-F615 HydrophobicContact CB-CE1 4.43Å
594	I	98.1	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-47.1	171.6	-71.3	165.5	0	0	0	110.6	L448 Q488 R489 L490 P542 V590 L597 I598 F615	L448-I594 HydrophobicContact CD1-CG2 4.06Å; L448-I594 HydrophobicContact CD2-CG2 4.05Å; Q488-I594 HydrophobicContact CB-CD1 4.35Å; R489-I594 WeakPolarHBondContact O-CD1 3.3Å; L490-I594 HydrophobicContact CD1-CG2 3.8Å; P542-I594 HydrophobicContact CB-CD1 4.23Å; P542-I594 HydrophobicContact CB-CG1 4.38Å; V590-I594 HydrophobicContact CG1-CD1 4.08Å; V590-I594 HydrophobicContact CG1-CG1 4.47Å; V590-I594 WeakPolarHBondContact O-CG1 3.49Å; V590-I594 PolarHBondContact O-N 3.23Å; I594-L597 PolarHBondContact O-N 3.39Å; I594-I598 HydrophobicContact CG2-CD1 4.17Å; I594-I598 WeakPolarHBondContact O-CG1 3.27Å; I594-I598 PolarHBondContact O-N 3.24Å; I594-I598 VanDerWaalsContact O-N 3.15Å; I594-F615 HydrophobicContact CG1-CE1 4.12Å; I594-F615 HydrophobicContact CG1-CZ 3.78Å
595	Q	97.6	Very high	94.5	Very high	28 Å²	28	30.4 Å²	30.4	13%	0.131	15%	0.154	C	C	.	.	H	α-helix	trans	-66	-48	-178.5	-73.3	172.2	86.6	0	0	112.4	W491 F569 D591 L592 L597 I598 E599	W491-Q595 VanDerWaalsContact CD1-OE1 3.25Å; F569-Q595 HydrophobicContact CE1-CB 3.86Å; F569-Q595 HydrophobicContact CZ-CB 3.9Å; D591-Q595 VanDerWaalsContact O-CG 3.29Å; D591-Q595 WeakPolarHBondContact O-CG 3.46Å; D591-Q595 PolarHBondContact O-N 2.96Å; D591-Q595 VanDerWaalsContact O-N 3.15Å; D591-Q595 PolarHBondContact O-NE2 3.37Å; L592-Q595 PolarHBondContact O-N 3.36Å; Q595-L597 VanDerWaalsContact C-N 3.34Å; Q595-L597 PolarHBondContact O-N 3.4Å; Q595-I598 WeakPolarHBondContact O-CB 3.08Å; Q595-I598 PolarHBondContact O-N 3.1Å; Q595-I598 VanDerWaalsContact O-N 3.15Å; Q595-E599 PolarHBondContact O-N 3.42Å
596	S	97.6	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-34.6	176.8	59.6	0	0	0	0	113	L546 F569 L587 L592 A593 I598 E599 L600	L546-S596 WeakPolarHBondContact CD1-OG 3.34Å; F569-S596 VanDerWaalsContact CD2-CB 3.45Å; F569-S596 VanDerWaalsContact CE2-CA 3.42Å; L587-S596 WeakPolarHBondContact CD1-OG 3.33Å; L592-S596 WeakPolarHBondContact O-CB 3.4Å; L592-S596 PolarHBondContact O-N 3.15Å; L592-S596 PolarHBondContact O-OG 3.32Å; A593-S596 WeakPolarHBondContact CA-OG 3.38Å; A593-S596 PolarHBondContact O-OG 2.83Å; S596-I598 VanDerWaalsContact C-N 3.33Å; S596-I598 PolarHBondContact O-N 2.96Å; S596-E599 PolarHBondContact O-N 2.62Å; S596-L600 VanDerWaalsContact O-CB 3.27Å; S596-L600 WeakPolarHBondContact O-CB 3.24Å; S596-L600 PolarHBondContact O-N 3.29Å
597	L	97.8	Very high	91.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-42.3	171.9	-179	151.5	0	0	0	111.5	T447 V451 L546 A593 I594 Q595 H601 I613 F615	T447-L597 HydrophobicContact CG2-CD2 4.13Å; V451-L597 HydrophobicContact CG2-CD1 3.86Å; V451-L597 HydrophobicContact CG2-CD2 3.78Å; V451-L597 HydrophobicContact CG2-CG 4.44Å; L546-L597 HydrophobicContact CD2-CB 4.32Å; L546-L597 HydrophobicContact CD2-CD1 4.11Å; A593-L597 WeakPolarHBondContact O-CB 3.24Å; A593-L597 PolarHBondContact O-N 3.01Å; I594-L597 PolarHBondContact O-N 3.39Å; Q595-L597 VanDerWaalsContact C-N 3.34Å; Q595-L597 PolarHBondContact O-N 3.4Å; L597-H601 WeakPolarHBondContact O-CB 3.48Å; L597-H601 PolarHBondContact O-N 3.46Å; L597-I613 HydrophobicContact CB-CG2 4.08Å; L597-I613 HydrophobicContact CD1-CG2 3.96Å; L597-I613 HydrophobicContact CG-CB 4.24Å; L597-I613 HydrophobicContact CG-CG2 3.88Å; L597-F615 HydrophobicContact CD1-CD2 4.35Å; L597-F615 HydrophobicContact CD1-CE1 4.22Å; L597-F615 HydrophobicContact CD1-CE2 3.97Å; L597-F615 HydrophobicContact CD1-CZ 3.89Å
598	I	96.4	Very high	90.5	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-42.7	176.7	-70.7	164.4	0	0	0	111.1	A444 L448 L490 I594 Q595 S596	A444-I598 HydrophobicContact CB-CD1 4.48Å; A444-I598 HydrophobicContact CB-CG2 3.7Å; L448-I598 HydrophobicContact CB-CD1 4.21Å; L448-I598 HydrophobicContact CB-CG1 4.14Å; L448-I598 HydrophobicContact CD2-CD1 4.36Å; L490-I598 HydrophobicContact CD1-CD1 3.61Å; I594-I598 HydrophobicContact CG2-CD1 4.17Å; I594-I598 WeakPolarHBondContact O-CG1 3.27Å; I594-I598 PolarHBondContact O-N 3.24Å; I594-I598 VanDerWaalsContact O-N 3.15Å; Q595-I598 WeakPolarHBondContact O-CB 3.08Å; Q595-I598 PolarHBondContact O-N 3.1Å; Q595-I598 VanDerWaalsContact O-N 3.15Å; S596-I598 VanDerWaalsContact C-N 3.33Å; S596-I598 PolarHBondContact O-N 2.96Å
599	E	94.4	Very high	89.5	Confident	71 Å²	71	33.7 Å²	33.7	33%	0.332	18%	0.178	S	C	.	.	H	α-helix	trans	-85	-23.5	-172	-74.9	-155.9	-138.6	0	0	116.1	K567 F569 Q595 S596	K567-E599 WeakPolarHBondContact CD-OE2 3.44Å; K567-E599 IonicContact NZ-OE2 3.21Å; K567-E599 PolarHBondContact NZ-OE2 2.82Å; F569-E599 HydrophobicContact CE2-CB 4.2Å; Q595-E599 PolarHBondContact O-N 3.42Å; S596-E599 PolarHBondContact O-N 2.62Å
600	L	95.1	Very high	88.9	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-112.8	-5.3	-175.3	-63.6	171.7	0	0	0	113.5	L563 F564 K567 F569 S596 N602 S603 I613	L563-L600 HydrophobicContact CD1-CD2 3.92Å; L563-L600 HydrophobicContact CG-CD2 3.91Å; F564-L600 HydrophobicContact CB-CD1 4.33Å; F564-L600 HydrophobicContact CD1-CD1 3.65Å; F564-L600 HydrophobicContact CD2-CD1 3.61Å; F564-L600 HydrophobicContact CE1-CD1 3.73Å; F564-L600 HydrophobicContact CE2-CD1 3.69Å; F564-L600 HydrophobicContact CG-CD1 3.59Å; F564-L600 HydrophobicContact CZ-CD1 3.75Å; K567-L600 HydrophobicContact CG-CD2 3.54Å; K567-L600 HydrophobicContact CG-CG 4.14Å; F569-L600 HydrophobicContact CD2-CD1 4.32Å; S596-L600 VanDerWaalsContact O-CB 3.27Å; S596-L600 WeakPolarHBondContact O-CB 3.24Å; S596-L600 PolarHBondContact O-N 3.29Å; L600-N602 PolarHBondContact O-N 3Å; L600-S603 WeakPolarHBondContact CA-OG 3.15Å; L600-S603 VanDerWaalsContact O-CB 3.31Å; L600-S603 WeakPolarHBondContact O-CB 3.47Å; L600-S603 PolarHBondContact O-N 2.83Å; L600-S603 PolarHBondContact O-OG 3.36Å; L600-I613 VanDerWaalsContact C-CD1 3.5Å; L600-I613 HydrophobicContact CB-CD1 3.59Å
601	H	92.2	Very high	88.6	Confident	21 Å²	21	31.8 Å²	31.8	10%	0.097	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	135.5	172.7	-174.3	39.6	0	0	0	110.9	T447 R527 L597 S603 L611	T447-H601 HydrophobicContact CG2-CB 3.77Å; R527-H601 PolarHBondContact NH2-CD2 2.65Å; R527-H601 VanDerWaalsContact NH2-CD2 3.31Å; R527-H601 PolarHBondContact NH2-CE1 3.22Å; R527-H601 PolarHBondContact NH2-ND1 2.88Å; R527-H601 PolarHBondContact NH2-NE2 2.96Å; L597-H601 WeakPolarHBondContact O-CB 3.48Å; L597-H601 PolarHBondContact O-N 3.46Å; H601-S603 PolarHBondContact O-N 3.35Å; H601-L611 PolarHBondContact ND1-O 2.75Å
602	N	90.6	Very high	88.4	Confident	54 Å²	54	33.3 Å²	33.3	29%	0.289	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	9.4	-175.7	-159.5	63.4	0	0	0	114.6	L525 L600 Q604 H610 L611	L525-N602 HydrophobicContact CD2-CB 4.01Å; L525-N602 VanDerWaalsContact CD2-OD1 3.27Å; L525-N602 WeakPolarHBondContact CD2-OD1 3.34Å; L600-N602 PolarHBondContact O-N 3Å; N602-Q604 PolarHBondContact O-N 2.81Å; N602-H610 PolarHBondContact O-ND1 3.48Å; N602-H610 WeakPolarHBondContact OD1-CB 3.42Å; N602-L611 WeakPolarHBondContact CA-O 3.45Å; N602-L611 PolarHBondContact N-O 2.94Å
603	S	87.6	Confident	88.3	Confident	5 Å²	5	31 Å²	31	4%	0.035	15%	0.153	C	C	.	.			trans	-53.3	125.5	164.9	-72.4	0	0	0	0	109.7	L600 H601 H610 L611	L600-S603 WeakPolarHBondContact CA-OG 3.15Å; L600-S603 VanDerWaalsContact O-CB 3.31Å; L600-S603 WeakPolarHBondContact O-CB 3.47Å; L600-S603 PolarHBondContact O-N 2.83Å; L600-S603 PolarHBondContact O-OG 3.36Å; H601-S603 PolarHBondContact O-N 3.35Å; S603-H610 WeakPolarHBondContact O-CA 3.31Å; S603-L611 WeakPolarHBondContact O-CB 3.4Å; S603-L611 PolarHBondContact O-N 3.2Å
604	Q	81	Confident	88.1	Confident	23 Å²	23	32.2 Å²	32.2	11%	0.107	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143.9	172.7	-160.3	165.2	20.5	0	0	108.3	T231 N602 T606 E607 S609	T231-Q604 HydrophobicContact CG2-CB 4.39Å; T231-Q604 WeakPolarHBondContact CG2-O 3.25Å; N602-Q604 PolarHBondContact O-N 2.81Å; Q604-T606 WeakPolarHBondContact CG-O 3.45Å; Q604-E607 PolarHBondContact NE2-O 3.26Å; Q604-S609 CarbonylContact C-O 3.54Å
605	L	78.3	Confident	88.1	Confident	30 Å²	30	32.3 Å²	32.3	16%	0.157	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-34.3	173.5	-70.6	179.2	0	0	0	111.3	I551 P552 V555 I560 L563 S609 L611	I551-L605 HydrophobicContact CB-CD1 4.48Å; I551-L605 HydrophobicContact CG1-CD1 4.39Å; I551-L605 HydrophobicContact CG2-CD1 4.31Å; P552-L605 HydrophobicContact CG-CB 4.3Å; V555-L605 HydrophobicContact CG2-CB 4.29Å; I560-L605 HydrophobicContact CD1-CD1 4.16Å; I560-L605 HydrophobicContact CD1-CD2 3.99Å; L563-L605 HydrophobicContact CD2-CD2 3.7Å; L605-S609 PolarHBondContact N-O 3.18Å; L605-L611 HydrophobicContact CD1-CB 4.28Å; L605-L611 HydrophobicContact CD1-CD1 4.16Å; L605-L611 HydrophobicContact CG-CB 4.33Å
606	T	72.9	Confident	88	Confident	54 Å²	54	31.3 Å²	31.3	33%	0.331	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	169	169.6	56.7	0	0	0	0	108	P552 Q604 N608 S609	P552-T606 HydrophobicContact CB-CG2 4.17Å; P552-T606 HydrophobicContact CG-CG2 3.83Å; P552-T606 WeakPolarHBondContact CG-OG1 3.46Å; Q604-T606 WeakPolarHBondContact CG-O 3.45Å; T606-N608 PolarHBondContact O-N 3.2Å; T606-S609 PolarHBondContact O-N 3.5Å; T606-S609 WeakPolarHBondContact OG1-CB 3.48Å
607	E	66.7	Low	87.6	Confident	123 Å²	123	38.6 Å²	38.6	58%	0.575	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.6	-34.1	-177.1	-63.6	-172	156.2	0	0	114.1	Q604	Q604-E607 PolarHBondContact NE2-O 3.26Å
608	N	69.7	Low	87.2	Confident	89 Å²	89	41.4 Å²	41.4	48%	0.476	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	1.7	-173.2	-47.5	-40.5	0	0	0	114.8	R116 T606	R116-N608 WeakPolarHBondContact CA-ND2 3.42Å; R116-N608 VanDerWaalsContact CA-OD1 3.31Å; R116-N608 WeakPolarHBondContact CA-OD1 3.26Å; R116-N608 WeakPolarHBondContact CB-ND2 3.34Å; R116-N608 HydrophobicContact CG-CB 4.26Å; T606-N608 PolarHBondContact O-N 3.2Å
609	S	76.9	Confident	86.7	Confident	13 Å²	13	44.6 Å²	44.6	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.7	-171.5	-150	0	0	0	0	112	N550 P552 Q604 L605 T606	N550-S609 PolarHBondContact ND2-OG 3.44Å; N550-S609 VanDerWaalsContact ND2-OG 3.15Å; N550-S609 PolarHBondContact O-OG 3.26Å; P552-S609 VanDerWaalsContact CG-CB 3.5Å; Q604-S609 CarbonylContact C-O 3.54Å; L605-S609 PolarHBondContact N-O 3.18Å; T606-S609 PolarHBondContact O-N 3.5Å; T606-S609 WeakPolarHBondContact OG1-CB 3.48Å
610	H	84.1	Confident	86	Confident	49 Å²	49	43.6 Å²	43.6	23%	0.227	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.3	174.8	-68	-98.5	0	0	0	111	N550 N602 S603	N550-H610 WeakPolarHBondContact CB-O 3.48Å; N550-H610 PolarHBondContact ND2-N 3.33Å; N550-H610 PolarHBondContact ND2-O 3.16Å; N602-H610 PolarHBondContact O-ND1 3.48Å; N602-H610 WeakPolarHBondContact OD1-CB 3.42Å; S603-H610 WeakPolarHBondContact O-CA 3.31Å
611	L	91.2	Very high	85.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.			trans	-69.3	124.9	-176.8	-176.2	57.4	0	0	0	111.7	L548 I551 L563 H601 N602 S603 L605 I613	L548-L611 HydrophobicContact CB-CD1 3.97Å; L548-L611 HydrophobicContact CD1-CD1 4.28Å; L548-L611 HydrophobicContact CD1-CD2 4.49Å; L548-L611 HydrophobicContact CD2-CD1 4.12Å; L548-L611 HydrophobicContact CD2-CD2 4.28Å; L548-L611 HydrophobicContact CD2-CG 4.36Å; L548-L611 HydrophobicContact CG-CD1 4.35Å; I551-L611 HydrophobicContact CG1-CD1 4.19Å; L563-L611 HydrophobicContact CD2-CD2 3.92Å; H601-L611 PolarHBondContact ND1-O 2.75Å; N602-L611 WeakPolarHBondContact CA-O 3.45Å; N602-L611 PolarHBondContact N-O 2.94Å; S603-L611 WeakPolarHBondContact O-CB 3.4Å; S603-L611 PolarHBondContact O-N 3.2Å; L605-L611 HydrophobicContact CD1-CB 4.28Å; L605-L611 HydrophobicContact CD1-CD1 4.16Å; L605-L611 HydrophobicContact CG-CB 4.33Å; L611-I613 HydrophobicContact CD2-CD1 3.99Å; L611-I613 HydrophobicContact CD2-CG1 4.25Å; L611-I613 HydrophobicContact CG-CD1 4.22Å; L611-I613 HydrophobicContact CG-CG1 3.92Å
612	R	92	Very high	85.2	Confident	77 Å²	77	47.1 Å²	47.1	29%	0.291	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.2	173.6	-55.5	-166.5	87.7	138.7	0.4	110.3	L525 H526 S549	L525-R612 PolarHBondContact O-NH2 2.91Å; H526-R612 PolarHBondContact O-NH2 3.45Å; S549-R612 PolarHBondContact N-O 3.32Å; S549-R612 PolarHBondContact O-N 3.02Å; S549-R612 PolarHBondContact OG-O 3.37Å
613	I	95.4	Very high	84.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.1	-171	-48.7	-167.6	0	0	0	109.4	R527 L546 L548 L597 L600 L611	R527-I613 VanDerWaalsContact CZ-O 3.25Å; R527-I613 PolarHBondContact NH1-O 3.11Å; R527-I613 PolarHBondContact NH2-O 3.44Å; L546-I613 HydrophobicContact CB-CG2 4.07Å; L546-I613 HydrophobicContact CD1-CG2 3.91Å; L546-I613 HydrophobicContact CD2-CG2 4.09Å; L546-I613 HydrophobicContact CG-CG2 4.25Å; L548-I613 HydrophobicContact CD2-CB 4.17Å; L548-I613 HydrophobicContact CD2-CD1 3.86Å; L548-I613 HydrophobicContact CD2-CG1 3.62Å; L548-I613 HydrophobicContact CD2-CG2 3.91Å; L597-I613 HydrophobicContact CB-CG2 4.08Å; L597-I613 HydrophobicContact CD1-CG2 3.96Å; L597-I613 HydrophobicContact CG-CB 4.24Å; L597-I613 HydrophobicContact CG-CG2 3.88Å; L600-I613 VanDerWaalsContact C-CD1 3.5Å; L600-I613 HydrophobicContact CB-CD1 3.59Å; L611-I613 HydrophobicContact CD2-CD1 3.99Å; L611-I613 HydrophobicContact CD2-CG1 4.25Å; L611-I613 HydrophobicContact CG-CD1 4.22Å; L611-I613 HydrophobicContact CG-CG1 3.92Å
614	S	95.2	Very high	84.8	Confident	26 Å²	26	49.1 Å²	49.1	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	165.8	170.7	-65.3	0	0	0	0	109.5	R527 L546 H547	R527-S614 PolarHBondContact NH1-OG 3.35Å; L546-S614 CarbonylContact C-O 3.51Å; L546-S614 WeakPolarHBondContact CA-O 3.47Å; H547-S614 PolarHBondContact N-O 3.17Å; H547-S614 PolarHBondContact O-N 3.05Å
615	F	97.2	Very high	85	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	151.7	167.1	-60	-70.2	0	0	0	111.5	L448 V451 Y452 Y540 P542 L546 A593 I594 L597	L448-F615 HydrophobicContact CD1-CE2 4.32Å; L448-F615 HydrophobicContact CD1-CZ 4.29Å; V451-F615 HydrophobicContact CG1-CD2 4.22Å; Y452-F615 WeakPolarHBondContact OH-CD2 3.22Å; Y452-F615 VanDerWaalsContact OH-CE2 3.31Å; Y452-F615 WeakPolarHBondContact OH-CE2 3.35Å; Y540-F615 WeakPolarHBondContact CD2-O 3.29Å; P542-F615 HydrophobicContact CB-CD1 4.36Å; P542-F615 HydrophobicContact CB-CD2 4.49Å; P542-F615 HydrophobicContact CB-CE1 4.1Å; P542-F615 HydrophobicContact CB-CE2 4.23Å; P542-F615 HydrophobicContact CB-CZ 4.04Å; P542-F615 HydrophobicContact CG-CD2 4.41Å; P542-F615 HydrophobicContact CG-CE2 4.07Å; P542-F615 HydrophobicContact CG-CZ 4.27Å; L546-F615 HydrophobicContact CD2-CD1 3.66Å; L546-F615 HydrophobicContact CD2-CE1 3.85Å; A593-F615 HydrophobicContact CB-CE1 4.43Å; I594-F615 HydrophobicContact CG1-CE1 4.12Å; I594-F615 HydrophobicContact CG1-CZ 3.78Å; L597-F615 HydrophobicContact CD1-CD2 4.35Å; L597-F615 HydrophobicContact CD1-CE1 4.22Å; L597-F615 HydrophobicContact CD1-CE2 3.97Å; L597-F615 HydrophobicContact CD1-CZ 3.89Å
616	S	94.8	Very high	85.4	Confident	7 Å²	7	52.1 Å²	52.1	5%	0.049	29%	0.285	C	S	.	.			trans	-114	142.5	177.6	-177.4	0	0	0	0	111.1	S543 V545 L584 S618	S543-S616 PolarHBondContact OG-O 2.79Å; V545-S616 VanDerWaalsContact O-CB 3.31Å; V545-S616 WeakPolarHBondContact O-CB 3.45Å; V545-S616 PolarHBondContact O-N 3.35Å; L584-S616 WeakPolarHBondContact CD2-OG 3.33Å; S616-S618 WeakPolarHBondContact OG-CB 3.45Å; S616-S618 PolarHBondContact OG-N 3.35Å; S616-S618 PolarHBondContact OG-O 3.17Å; S616-S618 VanDerWaalsContact OG-O 3.09Å
617	K	90.8	Very high	86.3	Confident	152 Å²	152	52 Å²	52	66%	0.661	28%	0.281	S	S	*	.	S	Bend	trans	-84.1	-18.2	163.1	66.7	170.1	175.2	-157.5	0	113.4	Y540	Y540-K617 HydrophobicContact CD1-CB 3.9Å; Y540-K617 HydrophobicContact CD1-CD 4.13Å; Y540-K617 HydrophobicContact CD1-CG 4.13Å; Y540-K617 HydrophobicContact CE1-CB 4.1Å; Y540-K617 HydrophobicContact CE1-CD 3.48Å; Y540-K617 VanDerWaalsContact CE1-CD 3.48Å; Y540-K617 HydrophobicContact CE1-CG 3.8Å; Y540-K617 HydrophobicContact CE2-CG 4.22Å; Y540-K617 HydrophobicContact CG-CB 4.15Å; Y540-K617 HydrophobicContact CG-CG 4.49Å; Y540-K617 VanDerWaalsContact OH-CE 3.29Å; Y540-K617 WeakPolarHBondContact OH-CE 3.14Å; Y540-K617 PolarHBondContact OH-NZ 2.69Å
618	S	88.5	Confident	87.9	Confident	60 Å²	60	46.5 Å²	46.5	42%	0.42	26%	0.259	S	S	.	.	S	Bend	trans	-83.9	134.9	-178.2	-55.5	0	0	0	0	109.4	V545 S616	V545-S618 WeakPolarHBondContact CG1-O 3.36Å; S616-S618 WeakPolarHBondContact OG-CB 3.45Å; S616-S618 PolarHBondContact OG-N 3.35Å; S616-S618 PolarHBondContact OG-O 3.17Å; S616-S618 VanDerWaalsContact OG-O 3.09Å
619	A	85.5	Confident	89.4	Confident	78 Å²	78	43 Å²	43	65%	0.645	24%	0.241	S	C	*	.			trans	-61.3	157.7	157.5	0	0	0	0	0	110.1	L584	L584-A619 VanDerWaalsContact CD1-O 3.23Å; L584-A619 WeakPolarHBondContact CD1-O 3.47Å
620	V	80.9	Confident	90.5	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.309	25%	0.254	S	S	.	.			trans	-60.7	0	170.6	172.6	0	0	0	0	109.2	V545 F574 R575 L584 Q586	V545-V620 HydrophobicContact CG1-CG2 4.04Å; F574-V620 VanDerWaalsContact C-CG1 3.44Å; F574-V620 WeakPolarHBondContact O-CG1 3.46Å; R575-V620 HydrophobicContact CB-CG1 3.66Å; R575-V620 WeakPolarHBondContact CD-OXT 3.47Å; R575-V620 PolarHBondContact NH1-OXT 3.35Å; L584-V620 HydrophobicContact CB-CG2 4.01Å; Q586-V620 HydrophobicContact CB-CG2 3.68Å

Retrieved 620 of 620 residues in 1257.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).