A0A087X4D5_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A087X4D5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.6	Low	61.7	Low	211 Å²	211	150.8 Å²	150.8	100%	1.039	71%	0.709	S	S	*	*				0	-29.3	0	-86.5	-177.6	-179.4	0	0	114.7
2	C	51.9	Low	62.5	Low	100 Å²	100	152.5 Å²	152.5	68%	0.676	70%	0.704	S	S	*	*	H	α-helix	trans	-67.9	-32.9	-177.5	-79.3	0	0	0	0	116.3	I4 Y6	C2-I4 PolarHBondContact O-N 3.46Å; C2-Y6 PolarHBondContact O-N 3.23Å
3	T	56.3	Low	63	Low	121 Å²	121	148.4 Å²	148.4	74%	0.742	69%	0.69	S	S	*	*	H	α-helix	trans	-73	-29.5	-173.8	-25.1	0	0	0	0	113.4	C7	T3-C7 PolarHBondContact O-N 3.3Å
4	I	63.6	Low	63.8	Low	134 Å²	134	151.1 Å²	151.1	69%	0.687	69%	0.692	S	S	*	*	H	α-helix	trans	-75	-37.4	-179.2	-64.7	168.7	0	0	0	110.7	C2 C7 W8	C2-I4 PolarHBondContact O-N 3.46Å; I4-C7 PolarHBondContact O-N 3.37Å; I4-W8 PolarHBondContact O-N 3.44Å; I4-W8 VanDerWaalsContact O-N 3.13Å
5	M	61.6	Low	64.3	Low	136 Å²	136	149.3 Å²	149.3	67%	0.67	69%	0.689	S	S	*	*	H	α-helix	trans	-66.2	-38	176.7	-83.5	-154.2	-81.1	0	0	113	W8 R9	M5-W8 PolarHBondContact O-N 3.44Å; M5-R9 WeakPolarHBondContact O-CB 3.44Å; M5-R9 PolarHBondContact O-N 3.48Å
6	Y	62.3	Low	64.8	Low	190 Å²	190	149.1 Å²	149.1	75%	0.745	69%	0.685	S	S	*	*	H	α-helix	trans	-65.4	-41.6	176.8	-102.3	-93.2	0	0	0	112.3	C2 W8 R9 Y10	C2-Y6 PolarHBondContact O-N 3.23Å; Y6-W8 VanDerWaalsContact C-N 3.33Å; Y6-W8 PolarHBondContact O-N 2.95Å; Y6-R9 PolarHBondContact O-N 3.46Å; Y6-Y10 WeakPolarHBondContact O-CB 3.47Å; Y6-Y10 PolarHBondContact O-N 2.74Å
7	C	60.6	Low	65.3	Low	79 Å²	79	146.4 Å²	146.4	53%	0.534	68%	0.676	S	S	.	*	H	α-helix	trans	-67.5	-34.8	179.4	-154.3	0	0	0	0	112	T3 I4 K11	T3-C7 PolarHBondContact O-N 3.3Å; I4-C7 PolarHBondContact O-N 3.37Å; C7-K11 PolarHBondContact O-N 2.93Å; C7-K11 VanDerWaalsContact O-N 3.13Å
8	W	62.6	Low	65.5	Low	176 Å²	176	149.5 Å²	149.5	67%	0.667	68%	0.681	S	S	*	*	H	α-helix	trans	-69.6	-41.4	175.8	-151.7	75.5	0	0	0	112.4	I4 M5 Y6 Y10 K11 R12	I4-W8 PolarHBondContact O-N 3.44Å; I4-W8 VanDerWaalsContact O-N 3.13Å; M5-W8 PolarHBondContact O-N 3.44Å; Y6-W8 VanDerWaalsContact C-N 3.33Å; Y6-W8 PolarHBondContact O-N 2.95Å; W8-Y10 VanDerWaalsContact C-N 3.35Å; W8-Y10 PolarHBondContact O-N 2.7Å; W8-K11 PolarHBondContact O-N 2.86Å; W8-R12 PolarHBondContact O-N 3.44Å; W8-R12 VanDerWaalsContact O-N 3.08Å
9	R	66.5	Low	65.7	Low	193 Å²	193	144.7 Å²	144.7	73%	0.728	67%	0.67	S	S	*	*	H	α-helix	trans	-66.1	-36.5	177.1	-153.2	168	-174.7	168.1	0	112	M5 Y6 R12 N13	M5-R9 WeakPolarHBondContact O-CB 3.44Å; M5-R9 PolarHBondContact O-N 3.48Å; Y6-R9 PolarHBondContact O-N 3.46Å; R9-R12 PolarHBondContact O-N 3.4Å; R9-N13 PolarHBondContact O-N 3.21Å; R9-N13 VanDerWaalsContact O-N 3.16Å
10	Y	70.1	Confident	66	Low	173 Å²	173	142.6 Å²	142.6	68%	0.678	66%	0.664	S	S	*	*	H	α-helix	trans	-68.7	-43.2	176.8	-156.3	-92.9	0	0	0	112.6	Y6 W8 R12 N13 R14	Y6-Y10 WeakPolarHBondContact O-CB 3.47Å; Y6-Y10 PolarHBondContact O-N 2.74Å; W8-Y10 VanDerWaalsContact C-N 3.35Å; W8-Y10 PolarHBondContact O-N 2.7Å; Y10-R12 PolarHBondContact O-N 3.48Å; Y10-N13 PolarHBondContact O-N 2.73Å; Y10-R14 PolarHBondContact O-N 2.8Å; Y10-R14 VanDerWaalsContact O-N 3.15Å
11	K	69.5	Low	66.2	Low	146 Å²	146	145.1 Å²	145.1	64%	0.635	67%	0.668	S	S	*	*	H	α-helix	trans	-62.4	-40	174.4	-85.8	-177.3	175.8	177.8	0	112.3	C7 W8 R14 L15	C7-K11 PolarHBondContact O-N 2.93Å; C7-K11 VanDerWaalsContact O-N 3.13Å; W8-K11 PolarHBondContact O-N 2.86Å; K11-R14 PolarHBondContact O-N 3.13Å; K11-L15 PolarHBondContact O-N 2.96Å; K11-L15 VanDerWaalsContact O-N 3.13Å
12	R	71.2	Confident	67.1	Low	171 Å²	171	142.6 Å²	142.6	65%	0.645	65%	0.651	S	S	*	*	H	α-helix	trans	-65.1	-40.6	178.9	-162.8	173.8	179.7	179.3	-0.6	112.5	W8 R9 Y10 L15 K16	W8-R12 PolarHBondContact O-N 3.44Å; W8-R12 VanDerWaalsContact O-N 3.08Å; R9-R12 PolarHBondContact O-N 3.4Å; Y10-R12 PolarHBondContact O-N 3.48Å; R12-L15 PolarHBondContact O-N 3.39Å; R12-K16 PolarHBondContact O-N 3.25Å; R12-K16 VanDerWaalsContact O-N 3.13Å
13	N	69.6	Low	67.8	Low	99 Å²	99	144.9 Å²	144.9	53%	0.529	65%	0.647	S	S	.	*	H	α-helix	trans	-66.3	-38.4	175.1	-88.8	-3.9	0	0	0	112.7	R9 Y10 L15 K16 I17	R9-N13 PolarHBondContact O-N 3.21Å; R9-N13 VanDerWaalsContact O-N 3.16Å; Y10-N13 PolarHBondContact O-N 2.73Å; N13-L15 VanDerWaalsContact C-N 3.34Å; N13-L15 PolarHBondContact O-N 3.03Å; N13-K16 PolarHBondContact O-N 3.48Å; N13-I17 WeakPolarHBondContact O-CG1 3.25Å; N13-I17 PolarHBondContact O-N 3.29Å
14	R	73.8	Confident	68.2	Low	187 Å²	187	148.7 Å²	148.7	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-66.3	-36.1	178.2	-133.4	-178.8	-176.5	-166.1	1.9	112.7	Y10 K11 R18	Y10-R14 PolarHBondContact O-N 2.8Å; Y10-R14 VanDerWaalsContact O-N 3.15Å; K11-R14 PolarHBondContact O-N 3.13Å; R14-R18 PolarHBondContact O-N 3.21Å
15	L	71.7	Confident	68.6	Low	124 Å²	124	150 Å²	150	65%	0.649	65%	0.648	S	S	*	*	H	α-helix	trans	-66.3	-42	173.3	-85.6	154.6	0	0	0	111.9	K11 R12 N13 R18 A19	K11-L15 PolarHBondContact O-N 2.96Å; K11-L15 VanDerWaalsContact O-N 3.13Å; R12-L15 PolarHBondContact O-N 3.39Å; N13-L15 VanDerWaalsContact C-N 3.34Å; N13-L15 PolarHBondContact O-N 3.03Å; L15-R18 PolarHBondContact O-N 3.06Å; L15-A19 PolarHBondContact O-N 3.16Å
16	K	72.3	Confident	68.9	Low	145 Å²	145	149.5 Å²	149.5	63%	0.63	64%	0.644	S	S	*	*	H	α-helix	trans	-62.9	-43.7	178.1	-155.1	173.9	-177.7	-177.6	0	112.2	R12 N13 R18 A19 D20	R12-K16 PolarHBondContact O-N 3.25Å; R12-K16 VanDerWaalsContact O-N 3.13Å; N13-K16 PolarHBondContact O-N 3.48Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 3.39Å; K16-A19 PolarHBondContact O-N 3.38Å; K16-D20 PolarHBondContact O-N 3.21Å
17	I	72.6	Confident	69.1	Low	103 Å²	103	149 Å²	149	53%	0.528	64%	0.641	S	S	.	*	H	α-helix	trans	-65	-36.4	176.7	-65.4	165.8	0	0	0	112	N13 R21	N13-I17 WeakPolarHBondContact O-CG1 3.25Å; N13-I17 PolarHBondContact O-N 3.29Å; I17-R21 PolarHBondContact O-N 2.96Å; I17-R21 VanDerWaalsContact O-N 3.17Å
18	R	68.6	Low	69.3	Low	203 Å²	203	155 Å²	155	77%	0.766	65%	0.652	S	S	*	*	H	α-helix	trans	-67.4	-39.1	175.1	-104.9	-178.3	169.3	174.3	-3.2	112.1	R14 L15 K16 K22	R14-R18 PolarHBondContact O-N 3.21Å; L15-R18 PolarHBondContact O-N 3.06Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 3.39Å; R18-K22 PolarHBondContact O-N 3.41Å
19	A	70.8	Confident	69.5	Low	58 Å²	58	150.3 Å²	150.3	48%	0.479	64%	0.643	S	S	.	*	H	α-helix	trans	-64.1	-45.5	176.3	0	0	0	0	0	111.6	L15 K16 R21 K22 Y23	L15-A19 PolarHBondContact O-N 3.16Å; K16-A19 PolarHBondContact O-N 3.38Å; A19-R21 PolarHBondContact O-N 3.27Å; A19-K22 PolarHBondContact O-N 3.07Å; A19-K22 VanDerWaalsContact O-N 3.12Å; A19-Y23 PolarHBondContact O-N 3.49Å
20	D	71.2	Confident	69.3	Low	103 Å²	103	144.6 Å²	144.6	55%	0.551	63%	0.633	S	S	*	*	H	α-helix	trans	-63.6	-37.8	178.6	-81.6	-15.1	0	0	0	113.2	K16 K22 Y23 R24	K16-D20 PolarHBondContact O-N 3.21Å; D20-K22 VanDerWaalsContact C-N 3.34Å; D20-Y23 PolarHBondContact O-N 3.24Å; D20-R24 PolarHBondContact O-N 3.3Å
21	R	70.6	Confident	69	Low	196 Å²	196	145.8 Å²	145.8	74%	0.74	64%	0.636	S	S	*	*	H	α-helix	trans	-64.9	-37.8	173.7	-83.3	-174.3	175.9	-175.3	-0.6	112.2	I17 A19 K25	I17-R21 PolarHBondContact O-N 2.96Å; I17-R21 VanDerWaalsContact O-N 3.17Å; A19-R21 PolarHBondContact O-N 3.27Å; R21-K25 PolarHBondContact O-N 3.35Å; R21-K25 VanDerWaalsContact O-N 3.12Å
22	K	71.7	Confident	68.7	Low	157 Å²	157	145.8 Å²	145.8	68%	0.683	64%	0.636	S	S	*	*	H	α-helix	trans	-68.6	-42	178.5	-145.2	178.4	-176.2	-173.6	0	110.7	R18 A19 D20 K25 Q26	R18-K22 PolarHBondContact O-N 3.41Å; A19-K22 PolarHBondContact O-N 3.07Å; A19-K22 VanDerWaalsContact O-N 3.12Å; D20-K22 VanDerWaalsContact C-N 3.34Å; K22-K25 PolarHBondContact O-N 2.99Å; K22-Q26 PolarHBondContact O-N 2.9Å
23	Y	66.4	Low	68.3	Low	149 Å²	149	143.2 Å²	143.2	58%	0.584	64%	0.635	S	S	*	*	H	α-helix	trans	-64.2	-43.4	176.1	-168.1	-102.2	0	0	0	112.6	A19 D20 K25 Q26 R27	A19-Y23 PolarHBondContact O-N 3.49Å; D20-Y23 PolarHBondContact O-N 3.24Å; Y23-K25 VanDerWaalsContact C-N 3.32Å; Y23-K25 PolarHBondContact O-N 2.99Å; Y23-Q26 PolarHBondContact O-N 3.33Å; Y23-R27 PolarHBondContact O-N 2.94Å
24	R	65.8	Low	67.9	Low	201 Å²	201	141.5 Å²	141.5	76%	0.758	63%	0.634	S	S	*	*	H	α-helix	trans	-62.1	-35.9	173.3	-89.2	-176.3	173	178.2	-1.2	113.2	D20 R28	D20-R24 PolarHBondContact O-N 3.3Å; R24-R28 PolarHBondContact O-N 3.34Å
25	K	71.3	Confident	67.3	Low	161 Å²	161	138.9 Å²	138.9	70%	0.7	63%	0.63	S	S	*	*	H	α-helix	trans	-69.4	-43.5	178.2	-156.4	174.4	-176.9	-177.4	0	110.8	R21 K22 Y23 R27 R28 T29	R21-K25 PolarHBondContact O-N 3.35Å; R21-K25 VanDerWaalsContact O-N 3.12Å; K22-K25 PolarHBondContact O-N 2.99Å; Y23-K25 VanDerWaalsContact C-N 3.32Å; Y23-K25 PolarHBondContact O-N 2.99Å; K25-R27 PolarHBondContact O-N 2.93Å; K25-R28 PolarHBondContact O-N 2.76Å; K25-T29 PolarHBondContact O-N 3.07Å; K25-T29 VanDerWaalsContact O-N 3.16Å; K25-T29 PolarHBondContact O-OG1 2.85Å
26	Q	67.9	Low	66.6	Low	126 Å²	126	138.8 Å²	138.8	59%	0.589	63%	0.627	S	S	*	*	H	α-helix	trans	-59.6	-43.7	173.2	-90.8	177.2	-28.4	0	0	112.6	K22 Y23 R28 T29 S30	K22-Q26 PolarHBondContact O-N 2.9Å; Y23-Q26 PolarHBondContact O-N 3.33Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 3.37Å; Q26-T29 VanDerWaalsContact CA-OG1 3.3Å; Q26-T29 WeakPolarHBondContact CA-OG1 3.23Å; Q26-T29 PolarHBondContact O-N 3.45Å; Q26-T29 PolarHBondContact O-OG1 3.14Å; Q26-S30 PolarHBondContact O-N 3.45Å; Q26-S30 PolarHBondContact O-OG 2.8Å
27	R	66.1	Low	65.9	Low	180 Å²	180	134.1 Å²	134.1	68%	0.679	62%	0.616	S	S	*	*	H	α-helix	trans	-65.6	-32.2	179.4	-147.8	177.8	-179.7	-167.7	-0.3	113.2	Y23 K25 R31	Y23-R27 PolarHBondContact O-N 2.94Å; K25-R27 PolarHBondContact O-N 2.93Å; R27-R31 PolarHBondContact O-N 3.21Å
28	R	65.3	Low	65.1	Low	204 Å²	204	132 Å²	132	77%	0.77	61%	0.614	S	S	*	*	H	α-helix	trans	-69.2	-40.9	172.7	-89.4	-175.7	170.2	-179.1	-3.3	112.4	R24 K25 Q26 R31 K32	R24-R28 PolarHBondContact O-N 3.34Å; K25-R28 PolarHBondContact O-N 2.76Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 3.37Å; R28-R31 PolarHBondContact O-N 2.98Å; R28-K32 PolarHBondContact O-N 3.28Å
29	T	66.1	Low	64.3	Low	77 Å²	77	126.7 Å²	126.7	47%	0.472	60%	0.604	S	S	.	*	H	α-helix	trans	-66.7	-40.1	175.4	29.8	0	0	0	0	112.2	K25 Q26 R31 K32 L33	K25-T29 PolarHBondContact O-N 3.07Å; K25-T29 VanDerWaalsContact O-N 3.16Å; K25-T29 PolarHBondContact O-OG1 2.85Å; Q26-T29 VanDerWaalsContact CA-OG1 3.3Å; Q26-T29 WeakPolarHBondContact CA-OG1 3.23Å; Q26-T29 PolarHBondContact O-N 3.45Å; Q26-T29 PolarHBondContact O-OG1 3.14Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 3.31Å; T29-K32 PolarHBondContact O-N 3.16Å; T29-L33 PolarHBondContact O-N 2.99Å
30	S	63.4	Low	63.4	Low	74 Å²	74	130.7 Å²	130.7	52%	0.517	61%	0.613	S	S	.	*	H	α-helix	trans	-65.3	-33.9	175.5	-57.8	0	0	0	0	113	Q26 L33 A34	Q26-S30 PolarHBondContact O-N 3.45Å; Q26-S30 PolarHBondContact O-OG 2.8Å; S30-L33 PolarHBondContact O-N 3.34Å; S30-A34 PolarHBondContact O-N 3.11Å
31	R	62.5	Low	62.3	Low	197 Å²	197	130.5 Å²	130.5	74%	0.743	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-42.4	173	-101.7	-174.9	174.8	-177.4	-2.6	113	R27 R28 T29 L33 A34 E35	R27-R31 PolarHBondContact O-N 3.21Å; R28-R31 PolarHBondContact O-N 2.98Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 3.31Å; R31-L33 VanDerWaalsContact C-N 3.33Å; R31-L33 PolarHBondContact O-N 3.21Å; R31-A34 PolarHBondContact O-N 3.14Å; R31-E35 PolarHBondContact O-N 3.17Å
32	K	63.4	Low	61.2	Low	147 Å²	147	126.3 Å²	126.3	64%	0.639	61%	0.605	S	S	*	*	H	α-helix	trans	-63.9	-36.9	175.3	-82.1	-169.5	170.1	-166.1	0	112.8	R28 T29 E35 M36	R28-K32 PolarHBondContact O-N 3.28Å; T29-K32 PolarHBondContact O-N 3.16Å; K32-E35 PolarHBondContact O-N 3.23Å; K32-M36 WeakPolarHBondContact O-CG 3.44Å; K32-M36 PolarHBondContact O-N 3.46Å
33	L	62.4	Low	60.1	Low	117 Å²	117	123.1 Å²	123.1	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-67.4	-38.3	174.3	-81.3	156.5	0	0	0	112.1	T29 S30 R31 M36 A37	T29-L33 PolarHBondContact O-N 2.99Å; S30-L33 PolarHBondContact O-N 3.34Å; R31-L33 VanDerWaalsContact C-N 3.33Å; R31-L33 PolarHBondContact O-N 3.21Å; L33-M36 PolarHBondContact O-N 3.43Å; L33-A37 PolarHBondContact O-N 3.26Å
34	A	61	Low	59.2	Low	63 Å²	63	122.2 Å²	122.2	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-67.1	-35.1	174.2	0	0	0	0	0	112.8	S30 R31 A38	S30-A34 PolarHBondContact O-N 3.11Å; R31-A34 PolarHBondContact O-N 3.14Å; A34-A38 PolarHBondContact O-N 3.49Å
35	E	62.1	Low	58.2	Low	131 Å²	131	117.9 Å²	117.9	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-65.9	-42.4	171.8	-80.9	171.6	171	0	0	111.7	R31 K32 A37 A38 T39	R31-E35 PolarHBondContact O-N 3.17Å; K32-E35 PolarHBondContact O-N 3.23Å; E35-A37 PolarHBondContact O-N 3.25Å; E35-A38 PolarHBondContact O-N 3.07Å; E35-T39 PolarHBondContact O-N 2.93Å; E35-T39 PolarHBondContact O-OG1 2.82Å
36	M	57.1	Low	56.9	Low	122 Å²	122	118.5 Å²	118.5	60%	0.601	59%	0.593	S	S	*	*	H	α-helix	trans	-64.1	-39.3	176.7	-70.6	178.3	77.1	0	0	112.7	K32 L33 A38 T39 E40	K32-M36 WeakPolarHBondContact O-CG 3.44Å; K32-M36 PolarHBondContact O-N 3.46Å; L33-M36 PolarHBondContact O-N 3.43Å; M36-A38 VanDerWaalsContact C-N 3.32Å; M36-A38 PolarHBondContact O-N 3.32Å; M36-T39 PolarHBondContact O-N 3.45Å; M36-T39 PolarHBondContact O-OG1 2.88Å; M36-E40 PolarHBondContact O-N 3.21Å
37	A	57.6	Low	55.5	Low	48 Å²	48	121.8 Å²	121.8	40%	0.397	60%	0.6	S	S	.	*	H	α-helix	trans	-67.4	-30	175.6	0	0	0	0	0	113.1	L33 E35 N41	L33-A37 PolarHBondContact O-N 3.26Å; E35-A37 PolarHBondContact O-N 3.25Å; A37-N41 PolarHBondContact O-N 3.22Å
38	A	54.8	Low	54.3	Low	59 Å²	59	121 Å²	121	49%	0.488	60%	0.601	S	S	.	*	H	α-helix	trans	-72.4	-33.1	175.4	0	0	0	0	0	112.4	A34 E35 M36 N42	A34-A38 PolarHBondContact O-N 3.49Å; E35-A38 PolarHBondContact O-N 3.07Å; M36-A38 VanDerWaalsContact C-N 3.32Å; M36-A38 PolarHBondContact O-N 3.32Å; A38-N42 PolarHBondContact O-N 3Å
39	T	53.3	Low	53.2	Low	91 Å²	91	114.7 Å²	114.7	56%	0.558	59%	0.593	S	S	*	*	H	α-helix	trans	-70.9	-35.2	174.9	-14.7	0	0	0	0	112.2	E35 M36 N42 V43	E35-T39 PolarHBondContact O-N 2.93Å; E35-T39 PolarHBondContact O-OG1 2.82Å; M36-T39 PolarHBondContact O-N 3.45Å; M36-T39 PolarHBondContact O-OG1 2.88Å; T39-N42 PolarHBondContact O-N 3.45Å; T39-V43 WeakPolarHBondContact O-CG2 3.43Å; T39-V43 PolarHBondContact O-N 2.92Å
40	E	52	Low	51.8	Low	141 Å²	141	118.3 Å²	118.3	66%	0.659	61%	0.61	S	S	*	*	H	α-helix	trans	-68	-42.7	176.7	-74.8	177.7	165.2	0	0	112.1	M36 N42 V43 E44	M36-E40 PolarHBondContact O-N 3.21Å; E40-N42 PolarHBondContact O-N 2.84Å; E40-V43 PolarHBondContact O-N 3.27Å; E40-E44 PolarHBondContact O-N 3.26Å
41	N	47.5	Very low	50.4	Low	99 Å²	99	121.6 Å²	121.6	53%	0.529	62%	0.621	S	S	.	*	H	α-helix	trans	-61.6	-30	174.7	-81	-17.8	0	0	0	113.3	A37 E44 L45	A37-N41 PolarHBondContact O-N 3.22Å; N41-E44 PolarHBondContact O-N 3.27Å; N41-L45 WeakPolarHBondContact O-CD1 3.29Å; N41-L45 WeakPolarHBondContact O-CG 3.44Å; N41-L45 PolarHBondContact O-N 3.01Å
42	N	48	Very low	49	Very low	109 Å²	109	116.2 Å²	116.2	58%	0.583	61%	0.614	S	S	*	*	H	α-helix	trans	-77.3	-26.5	-179.8	-128.3	-13.4	0	0	0	112.8	A38 T39 E40 K46	A38-N42 PolarHBondContact O-N 3Å; T39-N42 PolarHBondContact O-N 3.45Å; E40-N42 PolarHBondContact O-N 2.84Å; N42-K46 PolarHBondContact O-N 2.84Å
43	V	48.9	Very low	47.4	Very low	90 Å²	90	117.6 Å²	117.6	55%	0.545	62%	0.623	S	S	.	*	H	α-helix	trans	-76.6	-32.3	173.1	175.4	0	0	0	0	110.8	T39 E40 R47	T39-V43 WeakPolarHBondContact O-CG2 3.43Å; T39-V43 PolarHBondContact O-N 2.92Å; E40-V43 PolarHBondContact O-N 3.27Å; V43-R47 PolarHBondContact O-N 2.87Å
44	E	45.7	Very low	45.7	Very low	129 Å²	129	121 Å²	121	60%	0.603	64%	0.635	S	S	*	*	H	α-helix	trans	-72	-34.9	172.8	-118.9	177.7	-177.3	0	0	113	E40 N41 R47 K48	E40-E44 PolarHBondContact O-N 3.26Å; N41-E44 PolarHBondContact O-N 3.27Å; E44-R47 PolarHBondContact O-N 3.36Å; E44-K48 PolarHBondContact O-N 3.46Å
45	L	46.5	Very low	44.2	Very low	111 Å²	111	127.2 Å²	127.2	58%	0.581	65%	0.651	S	S	*	*	H	α-helix	trans	-67.3	-34.5	173.5	-82.9	156.8	0	0	0	113	N41 R47 K48 A49	N41-L45 WeakPolarHBondContact O-CD1 3.29Å; N41-L45 WeakPolarHBondContact O-CG 3.44Å; N41-L45 PolarHBondContact O-N 3.01Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-K48 PolarHBondContact O-N 2.91Å; L45-A49 PolarHBondContact O-N 3.1Å
46	K	43.6	Very low	42.9	Very low	173 Å²	173	130 Å²	130	75%	0.752	66%	0.664	S	S	*	*	H	α-helix	trans	-70.7	-26.4	171.8	-97.1	-176.6	174.4	-178.3	0	113.4	N42 K48 A49	N42-K46 PolarHBondContact O-N 2.84Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-A49 PolarHBondContact O-N 3.44Å
47	R	38.3	Very low	41.5	Very low	195 Å²	195	132.4 Å²	132.4	74%	0.736	68%	0.677	S	S	*	*	H	α-helix	trans	-73.9	-16.4	170.9	-79.9	180	171	172.8	-2.1	113.6	V43 E44 L45	V43-R47 PolarHBondContact O-N 2.87Å; E44-R47 PolarHBondContact O-N 3.36Å; L45-R47 VanDerWaalsContact C-N 3.32Å
48	K	40.2	Very low	40	Very low	163 Å²	163	133.9 Å²	133.9	71%	0.709	70%	0.697	S	S	*	*	H	α-helix	trans	-92	-12.8	172.7	-77.9	-176	174.1	179.5	0	114.2	E44 L45 K46 D50 D51	E44-K48 PolarHBondContact O-N 3.46Å; L45-K48 PolarHBondContact O-N 2.91Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K48-D50 VanDerWaalsContact C-N 3.25Å; K48-D50 PolarHBondContact O-N 3.3Å; K48-D51 PolarHBondContact O-N 3.49Å
49	A	42.6	Very low	38.7	Very low	73 Å²	73	136 Å²	136	60%	0.603	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-4.8	178.6	0	0	0	0	0	113.9	L45 K46	L45-A49 PolarHBondContact O-N 3.1Å; K46-A49 PolarHBondContact O-N 3.44Å
50	D	36	Very low	37.4	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-2.6	171.2	-99.1	-10.1	0	0	0	113.5	K48	K48-D50 VanDerWaalsContact C-N 3.25Å; K48-D50 PolarHBondContact O-N 3.3Å
51	D	35.5	Very low	36.2	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	73%	0.732	S	S	*	*	S	Bend	trans	-120.9	7	-167.2	-113.6	0.6	0	0	0	116.1	K48	K48-D51 PolarHBondContact O-N 3.49Å
52	S	32	Very low	35.2	Very low	84 Å²	84	147.1 Å²	147.1	59%	0.587	75%	0.75	S	S	*	*			trans	-130.8	98.1	173	55.5	0	0	0	0	108.8
53	Q	29.7	Very low	34.2	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	76%	0.76	S	S	*	*				55.3	97.6	90	-66.8	178.1	-19.3	0	0	110.7
54	E	27.3	Very low	33.2	Very low	188 Å²	188	149.6 Å²	149.6	88%	0.879	78%	0.779	S	S	*	*				171.9	105.6	126.4	-94.3	173.8	-173.1	0	0	109.7
55	K	29.7	Very low	32.3	Very low	195 Å²	195	147.1 Å²	147.1	85%	0.848	79%	0.788	S	S	*	*			trans	140.7	73.9	147.7	-76.4	175.8	-177.6	-176.3	0	110.6
56	E	33.8	Very low	31.7	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	80%	0.801	S	S	*	*				-21.1	105.5	75.9	-73.1	-173.6	169.6	0	0	116.4
57	I	29.3	Very low	31.1	Very low	173 Å²	173	149.8 Å²	149.8	89%	0.887	81%	0.805	S	S	*	*			trans	171.3	121.4	136	-82.2	150.1	0	0	0	107
58	G	25.7	Very low	30.7	Very low	79 Å²	79	145 Å²	145	81%	0.814	81%	0.807	S	S	*	*			trans	165.8	60.6	174	0	0	0	0	0	113
59	S	26.9	Very low	30.6	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	81%	0.813	S	S	*	*			trans	-82.3	136.1	160.8	53.7	0	0	0	0	110
60	D	27	Very low	30.2	Very low	141 Å²	141	153 Å²	153	75%	0.754	83%	0.829	S	S	*	*				176.2	139.9	122.3	-93.3	-0.3	0	0	0	109.7
61	W	25.6	Very low	30.5	Very low	253 Å²	253	152.6 Å²	152.6	96%	0.958	83%	0.831	S	S	*	*			trans	162.6	112.2	131.8	-91.4	74.2	0	0	0	108
62	D	27.3	Very low	30.7	Very low	171 Å²	171	148 Å²	148	91%	0.914	82%	0.818	S	S	*	*			trans	-61.7	158.1	-175.5	-69.9	-51.9	0	0	0	115.5
63	G	26.5	Very low	31	Very low	77 Å²	77	150.3 Å²	150.3	79%	0.794	83%	0.831	S	S	*	*			trans	173.1	97.2	162.8	0	0	0	0	0	113.9
64	D	28.1	Very low	31.3	Very low	175 Å²	175	150 Å²	150	94%	0.936	83%	0.832	S	S	*	*			trans	-39.8	156	179.1	-65.5	-47.3	0	0	0	119.2
65	G	27.7	Very low	32.1	Very low	77 Å²	77	147 Å²	147	79%	0.794	83%	0.828	S	S	*	*			trans	153	98.7	150	0	0	0	0	0	115.5
66	E	33.4	Very low	32.9	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	82%	0.822	S	S	*	*			trans	-55.6	142.5	170.1	-61.6	172.1	145.2	0	0	112.7
67	D	29.5	Very low	33.5	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	82%	0.822	S	S	*	*				168.1	132.4	124.7	-85.7	-28.8	0	0	0	114.8
68	A	31.5	Very low	34.2	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	81%	0.813	S	S	*	*			trans	68	110.7	142.6	0	0	0	0	0	122.4
69	D	38	Very low	35.2	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	82%	0.815	S	S	*	*			trans	18.6	111.9	138	-76.9	-25	0	0	0	119.7
70	W	32.6	Very low	36.2	Very low	251 Å²	251	145.7 Å²	145.7	95%	0.951	82%	0.821	S	S	*	*			trans	-139	104.8	148.6	-163.7	-88.6	0	0	0	111.4	G72	W70-G72 PolarHBondContact O-N 3.18Å
71	V	42.7	Very low	37	Very low	143 Å²	143	143.6 Å²	143.6	87%	0.867	82%	0.824	S	S	*	*			trans	-76.7	115.1	172	-179.2	0	0	0	0	108.9
72	G	40.1	Very low	38.3	Very low	47 Å²	47	141.3 Å²	141.3	49%	0.485	82%	0.82	S	S	.	*			trans	-146.2	149.9	170.8	0	0	0	0	0	111	W70	W70-G72 PolarHBondContact O-N 3.18Å
73	P	38.9	Very low	39.7	Very low	131 Å²	131	142.9 Å²	142.9	85%	0.851	82%	0.819	S	S	*	*			trans	-69.9	145.4	-163.6	30.2	-34	0	0	0	112.2
74	M	35.6	Very low	41.3	Very low	170 Å²	170	146.4 Å²	146.4	84%	0.837	81%	0.809	S	S	*	*			trans	-57.4	137.9	-175.9	-64.5	-171.8	-163.4	0	0	112.7	S76	M74-S76 PolarHBondContact O-N 2.83Å
75	P	43.2	Very low	43.1	Very low	125 Å²	125	145 Å²	145	81%	0.812	79%	0.794	S	S	*	*			trans	-82.5	64.7	176	34.1	-33.4	0	0	0	110.7
76	S	46.5	Very low	45.2	Very low	103 Å²	103	146.6 Å²	146.6	72%	0.72	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	51.3	169.2	67.1	0	0	0	0	111.1	M74	M74-S76 PolarHBondContact O-N 2.83Å
77	E	47.8	Very low	47.4	Very low	188 Å²	188	138.6 Å²	138.6	88%	0.879	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.7	31.8	160.2	-116	174.7	-163.2	0	0	112.2	T79	E77-T79 PolarHBondContact O-N 2.88Å
78	A	43.4	Very low	49.6	Very low	85 Å²	85	138.3 Å²	138.3	70%	0.702	75%	0.745	S	S	*	*			trans	-65.2	101.5	164.3	0	0	0	0	0	107.4	K80	A78-K80 PolarHBondContact O-N 2.97Å
79	T	46.3	Very low	51.8	Low	137 Å²	137	138 Å²	138	84%	0.84	73%	0.726	S	S	*	*			trans	-45.5	115.3	175.4	-12	0	0	0	0	107.6	E77 A81	E77-T79 PolarHBondContact O-N 2.88Å; T79-A81 PolarHBondContact O-N 3.1Å
80	K	47.6	Very low	54	Low	197 Å²	197	133 Å²	133	86%	0.857	70%	0.698	S	S	*	*			trans	-45.5	117.6	178	-76	-179.9	178.6	177.5	0	107.9	A78 K82	A78-K80 PolarHBondContact O-N 2.97Å; K80-K82 PolarHBondContact O-N 3.29Å
81	A	45.4	Very low	56.3	Low	98 Å²	98	130.9 Å²	130.9	81%	0.81	69%	0.69	S	S	*	*			trans	-50.9	114.3	-179	0	0	0	0	0	108	T79 K83	T79-A81 PolarHBondContact O-N 3.1Å; A81-K83 PolarHBondContact O-N 3.37Å
82	K	51.8	Low	58.2	Low	204 Å²	204	125.2 Å²	125.2	89%	0.887	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-51.7	122.5	-178.6	-78.8	178.9	177.6	172.5	0	107.5	K80 R84	K80-K82 PolarHBondContact O-N 3.29Å; K82-R84 PolarHBondContact O-N 2.87Å
83	K	56	Low	60.2	Low	205 Å²	205	124.4 Å²	124.4	89%	0.891	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-46.7	118.4	175.8	-79	-173.2	176.6	-176.2	0	108	A81 K85	A81-K83 PolarHBondContact O-N 3.37Å; K83-K85 PolarHBondContact O-N 2.94Å
84	R	60.9	Low	62.4	Low	151 Å²	151	119 Å²	119	57%	0.57	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-60.1	123.4	-176.7	-177.7	171.5	164.4	-153.9	-17.4	107.7	K82 V86 R408	K82-R84 PolarHBondContact O-N 2.87Å; R84-V86 PolarHBondContact O-N 3.35Å; R84-R408 VanDerWaalsContact CZ-NH1 3.32Å; R84-R408 VanDerWaalsContact NH1-NH2 3.17Å
85	K	66.5	Low	64.7	Low	146 Å²	146	115 Å²	115	64%	0.635	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-61.8	127.2	172.8	-67.1	-172.8	177.4	-171.8	0	107.8	K83	K83-K85 PolarHBondContact O-N 2.94Å
86	V	72.1	Confident	66.6	Low	109 Å²	109	110.5 Å²	110.5	66%	0.661	55%	0.553	S	S	*	*			trans	-117.3	133.8	175.7	179.7	0	0	0	0	106.1	R84	R84-V86 PolarHBondContact O-N 3.35Å
87	L	79.4	Confident	68.5	Low	15 Å²	15	105.7 Å²	105.7	8%	0.079	52%	0.519	C	S	.	.			trans	-81.9	120.9	172.4	-175.9	68.4	0	0	0	107.6	E90 Y93 H389 F390 E405	L87-E90 HydrophobicContact CB-CB 4.35Å; L87-E90 HydrophobicContact CD2-CB 4.45Å; L87-E90 HydrophobicContact CD2-CG 4.47Å; L87-Y93 HydrophobicContact CD2-CD2 3.95Å; L87-Y93 HydrophobicContact CD2-CE2 4.3Å; L87-Y93 HydrophobicContact CG-CD2 4.44Å; L87-Y93 HydrophobicContact CG-CE2 4.37Å; L87-H389 HydrophobicContact CD2-CB 3.94Å; L87-F390 HydrophobicContact CD2-CE2 4.49Å; L87-F390 HydrophobicContact CD2-CZ 4.36Å; L87-E405 HydrophobicContact CD1-CG 4.35Å
88	E	74.9	Confident	70.4	Confident	150 Å²	150	96.8 Å²	96.8	70%	0.701	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	140.3	174.7	-64.8	179.4	178.2	0	0	109.6	E90 Y93	E88-E90 VanDerWaalsContact C-N 3.26Å; E88-E90 PolarHBondContact O-N 3.47Å; E88-Y93 WeakPolarHBondContact O-CE2 3.49Å
89	F	79.1	Confident	72.4	Confident	89 Å²	89	95.5 Å²	95.5	39%	0.39	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	27.5	-178.7	-49.2	-75.1	0	0	0	116.1	R91 V92 Y93 I440 E441 A444	F89-R91 PolarHBondContact O-N 3.31Å; F89-V92 HydrophobicContact CB-CB 4.46Å; F89-V92 HydrophobicContact CB-CG2 4.3Å; F89-V92 PolarHBondContact O-N 2.87Å; F89-Y93 HydrophobicContact CB-CE2 4.47Å; F89-Y93 WeakPolarHBondContact O-CD2 3.17Å; F89-Y93 PolarHBondContact O-N 3.33Å; F89-I440 HydrophobicContact CB-CG2 3.91Å; F89-I440 HydrophobicContact CD2-CG2 3.91Å; F89-I440 HydrophobicContact CG-CG2 3.9Å; F89-E441 HydrophobicContact CZ-CG 4.32Å; F89-A444 HydrophobicContact CD1-CB 3.62Å; F89-A444 HydrophobicContact CE1-CB 3.77Å
90	E	82.9	Confident	74.3	Confident	49 Å²	49	89.1 Å²	89.1	23%	0.229	42%	0.424	C	S	.	.	H	α-helix	trans	-48.3	-38.1	-179.7	-175.7	170.2	-158.2	0	0	113.7	L87 E88 Y93 L94 F390 N403	L87-E90 HydrophobicContact CB-CB 4.35Å; L87-E90 HydrophobicContact CD2-CB 4.45Å; L87-E90 HydrophobicContact CD2-CG 4.47Å; E88-E90 VanDerWaalsContact C-N 3.26Å; E88-E90 PolarHBondContact O-N 3.47Å; E90-Y93 PolarHBondContact O-N 3.06Å; E90-L94 HydrophobicContact CG-CD1 3.95Å; E90-L94 HydrophobicContact CG-CG 4.35Å; E90-L94 VanDerWaalsContact O-CG 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.49Å; E90-L94 PolarHBondContact O-N 3.01Å; E90-F390 HydrophobicContact CG-CZ 4.21Å; E90-N403 PolarHBondContact OE1-ND2 3.09Å
91	R	81.4	Confident	76	Confident	207 Å²	207	81.3 Å²	81.3	78%	0.781	40%	0.396	S	S	*	.	H	α-helix	trans	-60.1	-46.7	178.2	-67.4	-176.8	179.5	175.5	-1.6	112.7	F89 Y93 L94 D95	F89-R91 PolarHBondContact O-N 3.31Å; R91-Y93 PolarHBondContact O-N 2.76Å; R91-L94 CarbonylContact O-C 3.51Å; R91-L94 WeakPolarHBondContact O-CA 3.32Å; R91-L94 WeakPolarHBondContact O-CB 3.29Å; R91-L94 PolarHBondContact O-N 2.93Å; R91-D95 PolarHBondContact O-N 2.87Å
92	V	81.6	Confident	78.1	Confident	23 Å²	23	79.6 Å²	79.6	14%	0.139	37%	0.372	C	S	.	.	H	α-helix	trans	-62	-36.5	-178.9	-178.5	0	0	0	0	111.1	F89 D95 N96 K443 A444	F89-V92 HydrophobicContact CB-CB 4.46Å; F89-V92 HydrophobicContact CB-CG2 4.3Å; F89-V92 PolarHBondContact O-N 2.87Å; V92-D95 PolarHBondContact O-N 2.85Å; V92-N96 PolarHBondContact O-ND2 2.96Å; V92-K443 HydrophobicContact CG1-CB 3.99Å; V92-K443 HydrophobicContact CG1-CD 4.45Å; V92-A444 HydrophobicContact CG2-CB 4.01Å
93	Y	83.3	Confident	79.9	Confident	30 Å²	30	70.5 Å²	70.5	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-71.6	-38	175.3	-58.9	-54.2	0	0	0	112.3	L87 E88 F89 E90 R91 D95 N96 T387 I440	L87-Y93 HydrophobicContact CD2-CD2 3.95Å; L87-Y93 HydrophobicContact CD2-CE2 4.3Å; L87-Y93 HydrophobicContact CG-CD2 4.44Å; L87-Y93 HydrophobicContact CG-CE2 4.37Å; E88-Y93 WeakPolarHBondContact O-CE2 3.49Å; F89-Y93 HydrophobicContact CB-CE2 4.47Å; F89-Y93 WeakPolarHBondContact O-CD2 3.17Å; F89-Y93 PolarHBondContact O-N 3.33Å; E90-Y93 PolarHBondContact O-N 3.06Å; R91-Y93 PolarHBondContact O-N 2.76Å; Y93-D95 VanDerWaalsContact C-N 3.25Å; Y93-D95 PolarHBondContact O-N 2.84Å; Y93-N96 PolarHBondContact O-N 2.96Å; Y93-N96 VanDerWaalsContact O-N 3.13Å; Y93-T387 HydrophobicContact CD1-CG2 3.46Å; Y93-T387 VanDerWaalsContact CD1-CG2 3.46Å; Y93-T387 HydrophobicContact CE1-CG2 3.8Å; Y93-T387 HydrophobicContact CG-CG2 4.31Å; Y93-I440 HydrophobicContact CE1-CD1 4.25Å; Y93-I440 HydrophobicContact CE1-CG1 4.41Å; Y93-I440 WeakPolarHBondContact OH-CD1 3.36Å
94	L	84.8	Confident	81.3	Confident	18 Å²	18	61 Å²	61	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-24.8	175.3	-70.2	171.7	0	0	0	113.3	E90 R91 N96 L97 F390 V410 R411	E90-L94 HydrophobicContact CG-CD1 3.95Å; E90-L94 HydrophobicContact CG-CG 4.35Å; E90-L94 VanDerWaalsContact O-CG 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.49Å; E90-L94 PolarHBondContact O-N 3.01Å; R91-L94 CarbonylContact O-C 3.51Å; R91-L94 WeakPolarHBondContact O-CA 3.32Å; R91-L94 WeakPolarHBondContact O-CB 3.29Å; R91-L94 PolarHBondContact O-N 2.93Å; L94-N96 PolarHBondContact O-N 3.01Å; L94-L97 HydrophobicContact CD2-CD1 4.41Å; L94-L97 PolarHBondContact O-N 3.13Å; L94-L97 VanDerWaalsContact O-O 3.13Å; L94-F390 HydrophobicContact CD2-CD1 4.39Å; L94-F390 HydrophobicContact CD2-CE1 3.65Å; L94-F390 HydrophobicContact CD2-CE2 4.41Å; L94-F390 HydrophobicContact CD2-CZ 3.66Å; L94-F390 HydrophobicContact CG-CE1 4.36Å; L94-F390 HydrophobicContact CG-CZ 3.94Å; L94-V410 HydrophobicContact CD1-CG1 3.63Å; L94-V410 HydrophobicContact CD2-CB 4.34Å; L94-V410 HydrophobicContact CD2-CG1 3.65Å; L94-V410 HydrophobicContact CG-CG1 4.29Å; L94-R411 PolarHBondContact O-NH1 2.83Å
95	D	82.8	Confident	82.6	Confident	86 Å²	86	56.4 Å²	56.4	46%	0.46	27%	0.274	S	S	.	.	H	α-helix	trans	-72.7	-19.6	173.4	-63.3	-24.3	0	0	0	111.9	R91 V92 Y93 L97 K474	R91-D95 PolarHBondContact O-N 2.87Å; V92-D95 PolarHBondContact O-N 2.85Å; Y93-D95 VanDerWaalsContact C-N 3.25Å; Y93-D95 PolarHBondContact O-N 2.84Å; D95-L97 VanDerWaalsContact C-N 3.27Å; D95-K474 WeakPolarHBondContact O-CE 3.43Å; D95-K474 PolarHBondContact O-NZ 3.31Å
96	N	83.4	Confident	83.7	Confident	30 Å²	30	49.4 Å²	49.4	16%	0.16	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.3	170.2	-61.2	-36.8	0	0	0	112.6	V92 Y93 L94 Q428 P457	V92-N96 PolarHBondContact O-ND2 2.96Å; Y93-N96 PolarHBondContact O-N 2.96Å; Y93-N96 VanDerWaalsContact O-N 3.13Å; L94-N96 PolarHBondContact O-N 3.01Å; N96-Q428 PolarHBondContact O-NE2 2.84Å; N96-P457 WeakPolarHBondContact O-CB 3.41Å
97	L	87.2	Confident	84.6	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-118.7	151.2	173.2	-69.8	173.9	0	0	0	109.8	L94 D95 D385 F390 L392 V401 R411 L426	L94-L97 HydrophobicContact CD2-CD1 4.41Å; L94-L97 PolarHBondContact O-N 3.13Å; L94-L97 VanDerWaalsContact O-O 3.13Å; D95-L97 VanDerWaalsContact C-N 3.27Å; L97-D385 HydrophobicContact CD2-CB 4.2Å; L97-F390 HydrophobicContact CD1-CB 4.09Å; L97-F390 HydrophobicContact CD1-CD1 4.48Å; L97-F390 HydrophobicContact CD1-CD2 3.96Å; L97-F390 HydrophobicContact CD1-CG 3.91Å; L97-L392 HydrophobicContact CD2-CD2 4.41Å; L97-V401 HydrophobicContact CD1-CG1 3.89Å; L97-R411 PolarHBondContact O-NH1 2.97Å; L97-L426 HydrophobicContact CD2-CD1 4.06Å; L97-L426 HydrophobicContact CD2-CD2 3.88Å
98	P	87.3	Confident	84.9	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	21%	0.212	C	C	.	.			trans	-61.2	148.8	175.7	25.3	-33	0	0	0	111.3	R411 L413 I459 F472 T473	P98-R411 PolarHBondContact O-NH1 3.43Å; P98-R411 VanDerWaalsContact O-NH1 3.1Å; P98-L413 HydrophobicContact CB-CD1 4.42Å; P98-L413 HydrophobicContact CG-CD1 3.81Å; P98-I459 HydrophobicContact CG-CB 4.17Å; P98-I459 HydrophobicContact CG-CD1 3.34Å; P98-I459 HydrophobicContact CG-CG1 3.59Å; P98-F472 WeakPolarHBondContact CB-O 3.25Å; P98-T473 WeakPolarHBondContact CB-O 3.47Å
99	S	86.4	Confident	85.6	Confident	59 Å²	59	37.4 Å²	37.4	41%	0.413	18%	0.179	S	C	.	.			trans	-116.8	-18.2	-176.4	50.9	0	0	0	0	113.4	K474	S99-K474 WeakPolarHBondContact OG-CA 3.07Å
100	S	84.7	Confident	85.9	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.021	19%	0.193	C	C	.	.			trans	-67.6	137.4	-174.1	-172.5	0	0	0	0	112.4	M102 L413 T473 R475	S100-M102 PolarHBondContact OG-O 2.88Å; S100-L413 WeakPolarHBondContact O-CD2 3.38Å; S100-T473 WeakPolarHBondContact CB-O 3.15Å; S100-T473 PolarHBondContact N-O 2.86Å; S100-R475 WeakPolarHBondContact CB-O 3.47Å; S100-R475 PolarHBondContact OG-O 2.88Å; S100-R475 VanDerWaalsContact OG-O 3.08Å
101	A	85.2	Confident	86.2	Confident	32 Å²	32	42.2 Å²	42.2	26%	0.264	20%	0.197	S	C	.	.	S	Bend	trans	-77.2	-25.9	177.6	0	0	0	0	0	112.6	G414	A101-G414 WeakPolarHBondContact O-CA 3.47Å; A101-G414 PolarHBondContact O-N 2.99Å
102	M	89.1	Confident	86.7	Confident	62 Å²	62	34 Å²	34	31%	0.305	17%	0.17	S	C	.	.	S	Bend	trans	-111.5	164.8	179.7	-63.3	-173.7	-172.1	0	0	110.6	S100 E417 F472 P477	S100-M102 PolarHBondContact OG-O 2.88Å; M102-E417 WeakPolarHBondContact CB-OE1 3.34Å; M102-F472 VanDerWaalsContact C-CE1 3.47Å; M102-F472 VanDerWaalsContact O-CD1 3.31Å; M102-F472 WeakPolarHBondContact O-CD1 3.3Å; M102-P477 HydrophobicContact CB-CG 4.14Å; M102-P477 HydrophobicContact SD-CG 4.04Å
103	Y	89.6	Confident	87.2	Confident	13 Å²	13	33.1 Å²	33.1	5%	0.051	16%	0.164	C	C	.	.			trans	-79.5	145.2	171.4	62.9	-90.3	0	0	0	110.5	E417 Y470 M471 R487 D488	Y103-E417 HydrophobicContact CD1-CG 3.89Å; Y103-E417 VanDerWaalsContact CE1-CD 3.42Å; Y103-E417 HydrophobicContact CE1-CG 4.18Å; Y103-E417 VanDerWaalsContact CE1-OE2 3.32Å; Y103-E417 WeakPolarHBondContact CE1-OE2 3.27Å; Y103-Y470 AromaticContact CD1-CD1 3.87Å; Y103-Y470 HydrophobicContact CD1-CD1 3.87Å; Y103-Y470 AromaticContact CD2-CD1 3.92Å; Y103-Y470 HydrophobicContact CD2-CD1 3.92Å; Y103-Y470 AromaticContact CE1-CD1 3.9Å; Y103-Y470 HydrophobicContact CE1-CD1 3.9Å; Y103-Y470 HydrophobicContact CE1-CE1 4.12Å; Y103-Y470 AromaticContact CE2-CD1 3.92Å; Y103-Y470 HydrophobicContact CE2-CD1 3.92Å; Y103-Y470 HydrophobicContact CE2-CE1 4.34Å; Y103-Y470 AromaticContact CG-CD1 3.89Å; Y103-Y470 HydrophobicContact CG-CD1 3.89Å; Y103-Y470 AromaticContact CZ-CD1 3.93Å; Y103-M471 CarbonylContact C-O 3.56Å; Y103-M471 WeakPolarHBondContact CA-O 3.12Å; Y103-M471 WeakPolarHBondContact CB-O 3.47Å; Y103-R487 HydrophobicContact CD2-CG 3.93Å; Y103-R487 VanDerWaalsContact CE2-CD 3.45Å; Y103-R487 HydrophobicContact CE2-CG 3.57Å; Y103-R487 VanDerWaalsContact CZ-NH2 3.32Å; Y103-R487 WeakPolarHBondContact O-CD 3.41Å; Y103-R487 VanDerWaalsContact OH-CZ 3.23Å; Y103-R487 PolarHBondContact OH-NE 3.14Å; Y103-R487 PolarHBondContact OH-NH2 3.28Å; Y103-D488 WeakPolarHBondContact CE2-OD1 3.24Å; Y103-D488 PolarHBondContact OH-OD1 3.07Å
104	E	85.8	Confident	87.6	Confident	5 Å²	5	32.1 Å²	32.1	2%	0.023	16%	0.162	C	C	.	.	S	Bend	trans	-75.5	-50.4	177.5	-173.9	-171.3	129.5	0	0	110.5	M471 T473 R475 T480 R487	E104-M471 HydrophobicContact CB-CE 3.92Å; E104-M471 HydrophobicContact CG-CE 4Å; E104-M471 PolarHBondContact N-O 2.77Å; E104-M471 VanDerWaalsContact OE1-CE 3.26Å; E104-M471 WeakPolarHBondContact OE1-CE 3.5Å; E104-T473 HydrophobicContact CB-CG2 4.26Å; E104-T473 VanDerWaalsContact OE2-CB 3.29Å; E104-T473 WeakPolarHBondContact OE2-CB 3.41Å; E104-T473 WeakPolarHBondContact OE2-CG2 3.35Å; E104-T473 PolarHBondContact OE2-OG1 3.41Å; E104-R475 IonicContact OE1-CZ 3.51Å; E104-R475 IonicContact OE1-NE 3.37Å; E104-R475 IonicContact OE1-NH2 2.65Å; E104-R475 PolarHBondContact OE1-NH2 3.26Å; E104-R475 IonicContact OE2-CZ 2.8Å; E104-R475 IonicContact OE2-NE 3.65Å; E104-R475 PolarHBondContact OE2-NE 3.28Å; E104-R475 IonicContact OE2-NH2 3.95Å; E104-R475 PolarHBondContact OE2-NH2 3.05Å; E104-T480 HydrophobicContact CG-CG2 4.28Å; E104-R487 WeakPolarHBondContact O-CG 3.44Å
105	R	87.6	Confident	88	Confident	55 Å²	55	32.2 Å²	32.2	21%	0.208	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.7	-177.7	-75.1	176.4	169.1	175.5	-0.3	111.4	Y107 M471 R487 I489	R105-Y107 HydrophobicContact CB-CE2 4.03Å; R105-M471 HydrophobicContact CB-CE 4.28Å; R105-M471 WeakPolarHBondContact O-CB 3.46Å; R105-M471 PolarHBondContact O-N 3.2Å; R105-R487 WeakPolarHBondContact CA-O 3.28Å; R105-I489 HydrophobicContact CB-CD1 4.31Å; R105-I489 HydrophobicContact CG-CD1 4.24Å
106	S	90.1	Very high	88.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.7	169.3	85.9	0	0	0	0	111.8	R468 F469 R487 D488 I489	S106-R468 PolarHBondContact OG-NH1 3.32Å; S106-R468 VanDerWaalsContact OG-NH1 3.08Å; S106-F469 VanDerWaalsContact CA-O 3.3Å; S106-F469 WeakPolarHBondContact CA-O 2.93Å; S106-R487 PolarHBondContact N-O 3.2Å; S106-D488 WeakPolarHBondContact CB-OD1 3.18Å; S106-D488 VanDerWaalsContact OG-CG 3.3Å; S106-D488 PolarHBondContact OG-OD1 2.62Å; S106-I489 WeakPolarHBondContact O-CB 3.34Å; S106-I489 PolarHBondContact O-N 2.77Å
107	Y	90.1	Very high	88.9	Confident	18 Å²	18	28.1 Å²	28.1	7%	0.071	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.7	-179.3	-69.6	-97.5	0	0	0	110.4	R105 W136 I144 R468 F469 I489	R105-Y107 HydrophobicContact CB-CE2 4.03Å; Y107-W136 HydrophobicContact CD1-CH2 4.39Å; Y107-W136 AromaticContact CD1-CZ3 3.92Å; Y107-W136 HydrophobicContact CD1-CZ3 3.92Å; Y107-W136 HydrophobicContact CG-CZ3 4.4Å; Y107-I144 HydrophobicContact CD2-CG2 3.78Å; Y107-I144 HydrophobicContact CE1-CG2 3.86Å; Y107-I144 HydrophobicContact CE2-CG2 3.05Å; Y107-I144 HydrophobicContact CG-CG2 4.46Å; Y107-I144 WeakPolarHBondContact OH-CG2 3.41Å; Y107-I144 PolarHBondContact OH-O 2.65Å; Y107-R468 WeakPolarHBondContact O-CA 3.48Å; Y107-F469 VanDerWaalsContact CB-CE1 3.41Å; Y107-F469 VanDerWaalsContact CB-CZ 3.43Å; Y107-F469 AromaticContact CD2-CE2 3.99Å; Y107-F469 HydrophobicContact CD2-CE2 3.99Å; Y107-F469 AromaticContact CD2-CZ 3.99Å; Y107-F469 HydrophobicContact CD2-CZ 3.99Å; Y107-F469 HydrophobicContact CG-CE1 4.32Å; Y107-F469 HydrophobicContact CG-CE2 4.31Å; Y107-F469 AromaticContact CG-CZ 3.84Å; Y107-F469 HydrophobicContact CG-CZ 3.84Å; Y107-F469 PolarHBondContact N-O 3.2Å; Y107-F469 PolarHBondContact O-N 3.21Å; Y107-F469 VanDerWaalsContact O-N 3.08Å; Y107-I489 HydrophobicContact CD1-CB 4.29Å; Y107-I489 HydrophobicContact CD1-CD1 4.29Å; Y107-I489 HydrophobicContact CD1-CG2 4.27Å; Y107-I489 HydrophobicContact CE1-CB 4.33Å; Y107-I489 HydrophobicContact CE1-CD1 3.57Å; Y107-I489 HydrophobicContact CE1-CG2 4.22Å; Y107-I489 HydrophobicContact CE2-CD1 3.93Å; Y107-I489 WeakPolarHBondContact OH-CD1 3.46Å
108	M	86.6	Confident	89.1	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.5	-169.9	-168.2	-178.7	-73.6	0	0	113.6	K134 N467 F490 N491 E492	M108-K134 PolarHBondContact O-NZ 3.37Å; M108-K134 VanDerWaalsContact O-NZ 3.15Å; M108-N467 WeakPolarHBondContact CG-ND2 3.38Å; M108-F490 HydrophobicContact CE-CD1 3.54Å; M108-F490 HydrophobicContact CE-CE1 3.72Å; M108-N491 WeakPolarHBondContact CA-OD1 3.05Å; M108-N491 WeakPolarHBondContact CB-OD1 3.45Å; M108-N491 PolarHBondContact N-OD1 2.94Å; M108-N491 PolarHBondContact O-ND2 2.83Å; M108-N491 PolarHBondContact O-OD1 2.68Å; M108-E492 HydrophobicContact SD-CB 4.39Å
109	H	88.4	Confident	89.1	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.009	15%	0.149	C	C	.	.			trans	-112.2	160.7	163.1	-85.2	-118.1	0	0	0	110.3	D111 I113 T126 W136 N467 E492	H109-D111 WeakPolarHBondContact CB-O 3.35Å; H109-D111 PolarHBondContact O-N 3.02Å; H109-I113 HydrophobicContact CB-CD1 4.15Å; H109-I113 HydrophobicContact CB-CG1 3.81Å; H109-I113 WeakPolarHBondContact CD2-CD1 3.37Å; H109-T126 PolarHBondContact CE1-OG1 3.17Å; H109-T126 WeakPolarHBondContact NE2-CB 3.34Å; H109-T126 PolarHBondContact NE2-OG1 3.18Å; H109-W136 AromaticContact NE2-CZ2 3.79Å; H109-W136 AromaticContact NE2-NE1 3.96Å; H109-N467 PolarHBondContact N-O 3.29Å; H109-N467 WeakPolarHBondContact O-CB 3.45Å; H109-N467 PolarHBondContact O-ND2 2.74Å; H109-E492 VanDerWaalsContact C-OE2 3.3Å
110	R	85.3	Confident	88.9	Confident	178 Å²	178	33.4 Å²	33.4	67%	0.672	16%	0.159	S	C	*	.	S	Bend	trans	-61.5	-34.1	176.5	-178.7	177.9	176.5	179.2	0.7	112.8	D130 E492	R110-D130 WeakPolarHBondContact CD-OD2 3.43Å; R110-E492 VanDerWaalsContact CA-OE2 3.29Å; R110-E492 WeakPolarHBondContact CA-OE2 3.45Å; R110-E492 PolarHBondContact N-OE2 3.18Å
111	D	89.4	Confident	88.8	Confident	60 Å²	60	35.2 Å²	35.2	32%	0.321	17%	0.17	S	C	.	.	S	Bend	trans	-140.8	177.1	-178.6	-160.4	0	0	0	0	110.1	H109 I113 D130 N467	H109-D111 WeakPolarHBondContact CB-O 3.35Å; H109-D111 PolarHBondContact O-N 3.02Å; D111-I113 PolarHBondContact O-N 3.15Å; D111-D130 HydrophobicContact CB-CB 3.97Å; D111-N467 WeakPolarHBondContact O-CA 3.38Å; D111-N467 WeakPolarHBondContact O-CB 3.18Å
112	V	91.2	Very high	88.7	Confident	35 Å²	35	35.7 Å²	35.7	21%	0.212	17%	0.168	C	C	.	.			trans	-56	129.8	-175.7	-178.7	0	0	0	0	111.2	T114 S128 Q129	V112-T114 PolarHBondContact O-N 2.76Å; V112-S128 WeakPolarHBondContact O-CA 3.42Å; V112-Q129 PolarHBondContact O-N 3.03Å
113	I	92.9	Very high	88.8	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.3	178.5	-58.2	179.3	0	0	0	108.7	H109 D111 A127 K466 R468 F469	H109-I113 HydrophobicContact CB-CD1 4.15Å; H109-I113 HydrophobicContact CB-CG1 3.81Å; H109-I113 WeakPolarHBondContact CD2-CD1 3.37Å; D111-I113 PolarHBondContact O-N 3.15Å; I113-A127 WeakPolarHBondContact CG2-O 3.3Å; I113-K466 PolarHBondContact N-O 2.78Å; I113-R468 VanDerWaalsContact CD1-C 3.47Å; I113-F469 HydrophobicContact CD1-CB 3.79Å; I113-F469 HydrophobicContact CD1-CD1 3.7Å; I113-F469 HydrophobicContact CD1-CG 4.25Å
114	T	91.4	Very high	88.9	Confident	10 Å²	10	32.9 Å²	32.9	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-43.5	-179.6	50.5	0	0	0	0	111.5	V112 A127 Q129 Q423	V112-T114 PolarHBondContact O-N 2.76Å; T114-A127 PolarHBondContact N-O 2.77Å; T114-A127 PolarHBondContact OG1-O 3.23Å; T114-Q129 HydrophobicContact CG2-CB 3.84Å; T114-Q129 HydrophobicContact CG2-CG 4.44Å; T114-Q423 PolarHBondContact O-NE2 2.77Å
115	H	93.1	Very high	89.3	Confident	19 Å²	19	32.6 Å²	32.6	9%	0.088	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.3	-177.6	-52.2	-99.7	0	0	0	115.2	T126 A127 E158 I160 Q423	H115-T126 CarbonylContact O-C 3.45Å; H115-T126 WeakPolarHBondContact O-CA 3.4Å; H115-A127 HydrophobicContact CB-CB 4.12Å; H115-A127 PolarHBondContact N-O 3.36Å; H115-A127 PolarHBondContact O-N 3.49Å; H115-E158 PolarHBondContact CE1-O 3.07Å; H115-E158 VanDerWaalsContact CE1-O 3.23Å; H115-E158 PolarHBondContact NE2-O 2.93Å; H115-I160 HydrophobicContact CB-CD1 3.35Å; H115-I160 HydrophobicContact CB-CG1 3.53Å; H115-I160 HydrophobicContact CB-CG2 4.39Å; H115-Q423 PolarHBondContact ND1-NE2 2.47Å
116	L	94.2	Very high	89.7	Confident	2 Å²	2	30 Å²	30	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	124.6	179.3	-164.6	154.8	0	0	0	109.9	I124 I125 T126 Q423 C425 F460 F469	L116-I124 HydrophobicContact CD2-CG2 4.18Å; L116-I124 HydrophobicContact CG-CG2 4.41Å; L116-I125 WeakPolarHBondContact CA-O 3.46Å; L116-T126 HydrophobicContact CD1-CG2 4.18Å; L116-T126 HydrophobicContact CG-CG2 4.14Å; L116-Q423 HydrophobicContact CB-CB 4.42Å; L116-C425 HydrophobicContact CD2-CB 3.18Å; L116-F460 HydrophobicContact CD1-CB 3.95Å; L116-F460 HydrophobicContact CD2-CB 3.73Å; L116-F460 HydrophobicContact CG-CB 4.48Å; L116-F469 HydrophobicContact CD1-CB 3.94Å; L116-F469 HydrophobicContact CD1-CG 4.46Å
117	V	92.3	Very high	89.9	Confident	28 Å²	28	30 Å²	30	17%	0.17	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.2	176	178.9	0	0	0	0	110	I125 I160 V162	V117-I125 PolarHBondContact N-O 3.39Å; V117-I125 PolarHBondContact O-N 2.99Å; V117-I160 HydrophobicContact CB-CD1 4.2Å; V117-I160 HydrophobicContact CG2-CD1 3.65Å; V117-I160 HydrophobicContact CG2-CG1 3.87Å; V117-V162 HydrophobicContact CB-CG2 4.15Å; V117-V162 HydrophobicContact CG1-CB 3.92Å; V117-V162 HydrophobicContact CG1-CG2 3.44Å; V117-V162 VanDerWaalsContact CG1-CG2 3.44Å
118	C	90.4	Very high	90	Very high	23 Å²	23	29.1 Å²	29.1	16%	0.155	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.4	169.8	-171	0	0	0	0	108.6	F123 C425	C118-F123 WeakPolarHBondContact CA-O 3.42Å; C118-C425 HydrophobicContact CB-CB 4.21Å; C118-C425 WeakPolarHBondContact CB-SG 3.41Å; C118-C425 PolarHBondContact N-SG 3.01Å
119	S	87.6	Confident	90.2	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.035	16%	0.159	C	C	.	.			trans	-82.1	152.6	171.8	-178.4	0	0	0	0	110.5	T121 D122 F123 G166	S119-T121 WeakPolarHBondContact CB-OG1 3.34Å; S119-T121 PolarHBondContact O-N 2.97Å; S119-T121 VanDerWaalsContact O-N 3.15Å; S119-T121 PolarHBondContact OG-N 3.35Å; S119-T121 PolarHBondContact OG-OG1 3.32Å; S119-D122 PolarHBondContact O-N 2.9Å; S119-F123 PolarHBondContact N-O 3.36Å; S119-G166 VanDerWaalsContact OG-C 3.28Å; S119-G166 WeakPolarHBondContact OG-CA 3.49Å; S119-G166 PolarHBondContact OG-O 2.68Å
120	K	83.1	Confident	90.3	Very high	146 Å²	146	34.7 Å²	34.7	64%	0.635	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.5	167.6	-66.1	-172.7	-178.7	170.7	0	113.6	D122 A164	K120-D122 VanDerWaalsContact C-N 3.27Å; K120-A164 VanDerWaalsContact CD-O 3.28Å; K120-A164 WeakPolarHBondContact CD-O 3.48Å; K120-A164 WeakPolarHBondContact CE-O 3.37Å; K120-A164 PolarHBondContact NZ-O 3.22Å
121	T	81.6	Confident	90.5	Very high	41 Å²	41	26.2 Å²	26.2	25%	0.252	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	23.1	174.8	52.8	0	0	0	0	112.7	S119 F123 G166 V184	S119-T121 WeakPolarHBondContact CB-OG1 3.34Å; S119-T121 PolarHBondContact O-N 2.97Å; S119-T121 VanDerWaalsContact O-N 3.15Å; S119-T121 PolarHBondContact OG-N 3.35Å; S119-T121 PolarHBondContact OG-OG1 3.32Å; T121-F123 WeakPolarHBondContact O-CD2 3.02Å; T121-F123 VanDerWaalsContact O-CE2 3.3Å; T121-F123 WeakPolarHBondContact O-CE2 3.34Å; T121-F123 PolarHBondContact O-N 3.04Å; T121-F123 VanDerWaalsContact O-N 3.15Å; T121-G166 PolarHBondContact OG1-O 3.4Å; T121-V184 HydrophobicContact CG2-CG2 4.41Å
122	D	83.5	Confident	90.7	Very high	42 Å²	42	24 Å²	24	23%	0.225	12%	0.123	C	C	.	.	S	Bend	trans	66.2	11.8	174.6	-49	-36.7	0	0	0	116.1	S119 K120 F427	S119-D122 PolarHBondContact O-N 2.9Å; K120-D122 VanDerWaalsContact C-N 3.27Å; D122-F427 HydrophobicContact CB-CE2 3.75Å; D122-F427 HydrophobicContact CB-CZ 4.4Å; D122-F427 WeakPolarHBondContact OD1-CE2 3.34Å
123	F	89.9	Confident	90.9	Very high	15 Å²	15	22.4 Å²	22.4	7%	0.066	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.6	174.2	-66	-74	0	0	0	111.1	C118 S119 T121 W136 K137 V147 V183 F186	C118-F123 WeakPolarHBondContact CA-O 3.42Å; S119-F123 PolarHBondContact N-O 3.36Å; T121-F123 WeakPolarHBondContact O-CD2 3.02Å; T121-F123 VanDerWaalsContact O-CE2 3.3Å; T121-F123 WeakPolarHBondContact O-CE2 3.34Å; T121-F123 PolarHBondContact O-N 3.04Å; T121-F123 VanDerWaalsContact O-N 3.15Å; F123-W136 CarbonylContact C-O 3.57Å; F123-W136 WeakPolarHBondContact CA-O 3.25Å; F123-K137 HydrophobicContact CD1-CB 4.02Å; F123-K137 HydrophobicContact CD1-CG 4.26Å; F123-K137 HydrophobicContact CE1-CB 3.89Å; F123-K137 HydrophobicContact CE1-CD 3.81Å; F123-K137 HydrophobicContact CE1-CG 3.92Å; F123-K137 HydrophobicContact CZ-CD 4.21Å; F123-V147 HydrophobicContact CE1-CG2 4.34Å; F123-V183 HydrophobicContact CB-CG1 3.82Å; F123-V183 HydrophobicContact CD2-CG1 3.65Å; F123-V183 HydrophobicContact CG-CG1 3.97Å; F123-F186 AromaticContact CD1-CE1 3.79Å; F123-F186 HydrophobicContact CD1-CE1 3.79Å; F123-F186 HydrophobicContact CD1-CZ 4.28Å; F123-F186 AromaticContact CE1-CE1 3.34Å; F123-F186 HydrophobicContact CE1-CE1 3.34Å; F123-F186 AromaticContact CE1-CZ 3.38Å; F123-F186 HydrophobicContact CE1-CZ 3.38Å; F123-F186 HydrophobicContact CE2-CE1 4.19Å; F123-F186 HydrophobicContact CE2-CZ 4.27Å; F123-F186 HydrophobicContact CG-CE1 4.38Å; F123-F186 AromaticContact CZ-CE1 3.58Å; F123-F186 HydrophobicContact CZ-CE1 3.58Å; F123-F186 AromaticContact CZ-CZ 3.37Å; F123-F186 HydrophobicContact CZ-CZ 3.37Å
124	I	92.1	Very high	90.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.9	168.3	-55.3	98.6	0	0	0	107.8	L116 T126 W136 K138 I144 F460	L116-I124 HydrophobicContact CD2-CG2 4.18Å; L116-I124 HydrophobicContact CG-CG2 4.41Å; I124-T126 HydrophobicContact CG2-CG2 4.34Å; I124-W136 HydrophobicContact CB-CB 4.23Å; I124-W136 PolarHBondContact N-O 3.12Å; I124-W136 PolarHBondContact O-N 3.21Å; I124-K138 HydrophobicContact CD1-CB 3.86Å; I124-I144 HydrophobicContact CD1-CD1 3.97Å; I124-I144 HydrophobicContact CD1-CG1 4.46Å; I124-F460 HydrophobicContact CD1-CD2 4.29Å; I124-F460 HydrophobicContact CD1-CE1 4.5Å; I124-F460 HydrophobicContact CD1-CE2 3.6Å; I124-F460 HydrophobicContact CD1-CZ 3.71Å; I124-F460 HydrophobicContact CG1-CD2 3.77Å; I124-F460 HydrophobicContact CG1-CE2 3.59Å; I124-F460 HydrophobicContact CG1-CG 4.37Å; I124-F460 HydrophobicContact CG1-CZ 4.07Å; I124-F460 HydrophobicContact CG2-CG 4.42Å
125	I	94.8	Very high	91	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.4	-179.7	-51.4	174.9	0	0	0	107.7	L116 V117 V133 K134 F135 V162 F169 V183	L116-I125 WeakPolarHBondContact CA-O 3.46Å; V117-I125 PolarHBondContact N-O 3.39Å; V117-I125 PolarHBondContact O-N 2.99Å; I125-V133 HydrophobicContact CG2-CG1 3.6Å; I125-K134 WeakPolarHBondContact CA-O 3.15Å; I125-F135 HydrophobicContact CD1-CD1 4.09Å; I125-F135 HydrophobicContact CD1-CE1 3.56Å; I125-F135 HydrophobicContact CD1-CZ 4.33Å; I125-F135 HydrophobicContact CG1-CD1 3.79Å; I125-F135 HydrophobicContact CG1-CE1 3.76Å; I125-F135 HydrophobicContact CG2-CE1 4.42Å; I125-F135 HydrophobicContact CG2-CZ 4.48Å; I125-V162 HydrophobicContact CD1-CG2 3.98Å; I125-F169 HydrophobicContact CB-CE2 4.33Å; I125-F169 HydrophobicContact CD1-CB 3.94Å; I125-F169 HydrophobicContact CD1-CD2 3.55Å; I125-F169 HydrophobicContact CD1-CE2 4.15Å; I125-F169 HydrophobicContact CD1-CG 3.79Å; I125-F169 HydrophobicContact CG2-CD2 4.09Å; I125-F169 HydrophobicContact CG2-CE1 4.28Å; I125-F169 HydrophobicContact CG2-CE2 3.59Å; I125-F169 HydrophobicContact CG2-CZ 3.71Å; I125-V183 HydrophobicContact CD1-CG1 4.38Å; I125-V183 HydrophobicContact CD1-CG2 4.05Å
126	T	94.9	Very high	90.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.7	-178.9	51.5	0	0	0	0	109.2	H109 H115 L116 I124 V133 K134 W136 F469	H109-T126 PolarHBondContact CE1-OG1 3.17Å; H109-T126 WeakPolarHBondContact NE2-CB 3.34Å; H109-T126 PolarHBondContact NE2-OG1 3.18Å; H115-T126 CarbonylContact O-C 3.45Å; H115-T126 WeakPolarHBondContact O-CA 3.4Å; L116-T126 HydrophobicContact CD1-CG2 4.18Å; L116-T126 HydrophobicContact CG-CG2 4.14Å; I124-T126 HydrophobicContact CG2-CG2 4.34Å; T126-V133 CarbonylContact O-C 3.56Å; T126-V133 WeakPolarHBondContact O-CA 3.15Å; T126-K134 PolarHBondContact N-O 3.26Å; T126-K134 PolarHBondContact O-N 3.31Å; T126-K134 PolarHBondContact OG1-O 3.04Å; T126-W136 PolarHBondContact OG1-NE1 3.29Å; T126-F469 HydrophobicContact CG2-CD1 4.03Å; T126-F469 HydrophobicContact CG2-CE1 4.2Å; T126-F469 HydrophobicContact CG2-CG 4.36Å
127	A	94.6	Very high	90.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.5	177	0	0	0	0	0	110.5	I113 T114 H115 H132 V133 I157 I160	I113-A127 WeakPolarHBondContact CG2-O 3.3Å; T114-A127 PolarHBondContact N-O 2.77Å; T114-A127 PolarHBondContact OG1-O 3.23Å; H115-A127 HydrophobicContact CB-CB 4.12Å; H115-A127 PolarHBondContact N-O 3.36Å; H115-A127 PolarHBondContact O-N 3.49Å; A127-H132 WeakPolarHBondContact CA-O 3.36Å; A127-V133 HydrophobicContact CB-CG2 4.2Å; A127-I157 HydrophobicContact CB-CD1 3.73Å; A127-I157 HydrophobicContact CB-CG2 4.42Å; A127-I160 HydrophobicContact CB-CD1 4.45Å; A127-I160 HydrophobicContact CB-CG2 4.04Å
128	S	93	Very high	90.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	155.4	-178.8	167.2	0	0	0	0	111	V112 D130 G131 H132	V112-S128 WeakPolarHBondContact O-CA 3.42Å; S128-D130 WeakPolarHBondContact CB-OD1 3.47Å; S128-D130 PolarHBondContact O-N 2.98Å; S128-D130 VanDerWaalsContact OG-CG 3.26Å; S128-D130 PolarHBondContact OG-N 3.19Å; S128-D130 PolarHBondContact OG-OD1 3.44Å; S128-G131 PolarHBondContact O-N 3.04Å; S128-H132 PolarHBondContact N-O 3.19Å
129	Q	90.8	Very high	89.7	Confident	86 Å²	86	26.3 Å²	26.3	40%	0.402	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.1	177.5	-173	170.3	-18.5	0	0	112.8	V112 T114 G131 V156	V112-Q129 PolarHBondContact O-N 3.03Å; T114-Q129 HydrophobicContact CG2-CB 3.84Å; T114-Q129 HydrophobicContact CG2-CG 4.44Å; Q129-G131 PolarHBondContact O-N 3.07Å; Q129-V156 HydrophobicContact CG-CG1 4.04Å; Q129-V156 HydrophobicContact CG-CG2 4.01Å; Q129-V156 WeakPolarHBondContact O-CA 3.42Å; Q129-V156 WeakPolarHBondContact O-CG2 3.33Å
130	D	89.9	Confident	88.7	Confident	34 Å²	34	29.3 Å²	29.3	18%	0.182	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	7.9	179.3	69	-8.1	0	0	0	114.9	R110 D111 S128 H132	R110-D130 WeakPolarHBondContact CD-OD2 3.43Å; D111-D130 HydrophobicContact CB-CB 3.97Å; S128-D130 WeakPolarHBondContact CB-OD1 3.47Å; S128-D130 PolarHBondContact O-N 2.98Å; S128-D130 VanDerWaalsContact OG-CG 3.26Å; S128-D130 PolarHBondContact OG-N 3.19Å; S128-D130 PolarHBondContact OG-OD1 3.44Å; D130-H132 WeakPolarHBondContact OD1-CB 3.45Å; D130-H132 IonicContact OD1-CD2 3.8Å; D130-H132 PolarHBondContact OD1-CD2 3.44Å; D130-H132 IonicContact OD1-CG 3.01Å; D130-H132 PolarHBondContact OD1-N 3.31Å; D130-H132 IonicContact OD2-CD2 3.66Å; D130-H132 PolarHBondContact OD2-CD2 3.5Å
131	G	90.9	Very high	87.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	89	4.5	177.4	0	0	0	0	0	114.7	S128 Q129 S152 H153 S155	S128-G131 PolarHBondContact O-N 3.04Å; Q129-G131 PolarHBondContact O-N 3.07Å; G131-S152 PolarHBondContact O-N 2.99Å; G131-S152 PolarHBondContact O-OG 3.31Å; G131-H153 PolarHBondContact O-N 2.77Å; G131-S155 WeakPolarHBondContact CA-O 3.44Å
132	H	93.1	Very high	86.9	Confident	15 Å²	15	33.7 Å²	33.7	7%	0.069	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.1	179.2	-73.7	-86.6	0	0	0	113	A127 S128 D130 H149 F150 R151	A127-H132 WeakPolarHBondContact CA-O 3.36Å; S128-H132 PolarHBondContact N-O 3.19Å; D130-H132 WeakPolarHBondContact OD1-CB 3.45Å; D130-H132 IonicContact OD1-CD2 3.8Å; D130-H132 PolarHBondContact OD1-CD2 3.44Å; D130-H132 IonicContact OD1-CG 3.01Å; D130-H132 PolarHBondContact OD1-N 3.31Å; D130-H132 IonicContact OD2-CD2 3.66Å; D130-H132 PolarHBondContact OD2-CD2 3.5Å; H132-H149 AromaticContact CE1-CE1 3.52Å; H132-H149 AromaticContact CE1-NE2 3.46Å; H132-H149 PolarHBondContact CE1-NE2 2.97Å; H132-H149 AromaticContact CG-NE2 3.53Å; H132-H149 AromaticContact ND1-CD2 3.75Å; H132-H149 AromaticContact ND1-CE1 3.22Å; H132-H149 PolarHBondContact ND1-CE1 3.22Å; H132-H149 AromaticContact ND1-NE2 2.76Å; H132-H149 PolarHBondContact ND1-NE2 2.9Å; H132-F150 CarbonylContact C-O 3.57Å; H132-F150 WeakPolarHBondContact CA-O 3.48Å; H132-R151 VanDerWaalsContact CE1-CB 3.49Å; H132-R151 WeakPolarHBondContact CE1-CB 3.49Å
133	V	94.5	Very high	86.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.6	174.8	175.3	0	0	0	0	108.5	I125 T126 A127 F135 F150 S152 I157 F169	I125-V133 HydrophobicContact CG2-CG1 3.6Å; T126-V133 CarbonylContact O-C 3.56Å; T126-V133 WeakPolarHBondContact O-CA 3.15Å; A127-V133 HydrophobicContact CB-CG2 4.2Å; V133-F135 HydrophobicContact CG1-CD2 4.46Å; V133-F135 HydrophobicContact CG1-CE2 3.94Å; V133-F135 HydrophobicContact CG1-CZ 4.45Å; V133-F150 PolarHBondContact N-O 2.97Å; V133-F150 PolarHBondContact O-N 3.48Å; V133-S152 VanDerWaalsContact CG2-OG 3.24Å; V133-S152 WeakPolarHBondContact CG2-OG 3.42Å; V133-I157 HydrophobicContact CG2-CD1 3.65Å; V133-F169 HydrophobicContact CG1-CE1 3.92Å; V133-F169 HydrophobicContact CG1-CZ 4.02Å; V133-F169 HydrophobicContact CG2-CE1 4.43Å; V133-F169 HydrophobicContact CG2-CZ 4.39Å
134	K	93.2	Very high	86.4	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.7	175	-65.5	-177	-172.2	175.4	0	110.6	M108 I125 T126 W136 F146 K148 H149 E492	M108-K134 PolarHBondContact O-NZ 3.37Å; M108-K134 VanDerWaalsContact O-NZ 3.15Å; I125-K134 WeakPolarHBondContact CA-O 3.15Å; T126-K134 PolarHBondContact N-O 3.26Å; T126-K134 PolarHBondContact O-N 3.31Å; T126-K134 PolarHBondContact OG1-O 3.04Å; K134-W136 HydrophobicContact CB-CZ2 4.14Å; K134-W136 HydrophobicContact CD-CH2 4.34Å; K134-W136 HydrophobicContact CD-CZ2 3.57Å; K134-F146 HydrophobicContact CB-CE2 4.24Å; K134-F146 HydrophobicContact CD-CD2 4.41Å; K134-F146 HydrophobicContact CD-CE2 3.98Å; K134-F146 HydrophobicContact CG-CE2 4.08Å; K134-K148 WeakPolarHBondContact CA-O 3.41Å; K134-H149 HydrophobicContact CG-CB 4.29Å; K134-E492 VanDerWaalsContact CE-OE1 3.28Å; K134-E492 WeakPolarHBondContact CE-OE1 3.3Å; K134-E492 VanDerWaalsContact NZ-CD 3.28Å; K134-E492 IonicContact NZ-OE1 3.98Å; K134-E492 PolarHBondContact NZ-OE1 3.04Å; K134-E492 IonicContact NZ-OE2 3.05Å
135	F	93.6	Very high	86.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.5	173.5	-68.8	-98.4	0	0	0	108.7	I125 V133 V147 K148 F150 F169 F181 V183 F186	I125-F135 HydrophobicContact CD1-CD1 4.09Å; I125-F135 HydrophobicContact CD1-CE1 3.56Å; I125-F135 HydrophobicContact CD1-CZ 4.33Å; I125-F135 HydrophobicContact CG1-CD1 3.79Å; I125-F135 HydrophobicContact CG1-CE1 3.76Å; I125-F135 HydrophobicContact CG2-CE1 4.42Å; I125-F135 HydrophobicContact CG2-CZ 4.48Å; V133-F135 HydrophobicContact CG1-CD2 4.46Å; V133-F135 HydrophobicContact CG1-CE2 3.94Å; V133-F135 HydrophobicContact CG1-CZ 4.45Å; F135-V147 HydrophobicContact CB-CB 4.22Å; F135-V147 WeakPolarHBondContact O-CB 3.48Å; F135-V147 PolarHBondContact O-N 3.28Å; F135-K148 PolarHBondContact N-O 3.3Å; F135-K148 PolarHBondContact O-N 3.08Å; F135-F150 AromaticContact CD2-CD2 3.95Å; F135-F150 HydrophobicContact CD2-CD2 3.95Å; F135-F150 HydrophobicContact CD2-CE2 4.19Å; F135-F150 AromaticContact CE2-CD2 3.66Å; F135-F150 HydrophobicContact CE2-CD2 3.66Å; F135-F150 AromaticContact CE2-CE2 3.95Å; F135-F150 HydrophobicContact CE2-CE2 3.95Å; F135-F169 HydrophobicContact CZ-CD1 4.17Å; F135-F181 HydrophobicContact CZ-CB 4.4Å; F135-V183 HydrophobicContact CE1-CG1 4.37Å; F135-V183 HydrophobicContact CE1-CG2 4.42Å; F135-F186 HydrophobicContact CD1-CD1 4.34Å; F135-F186 HydrophobicContact CG-CD1 4.45Å
136	W	91.8	Very high	85.9	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.9	178.3	-47.5	84.8	0	0	0	108.7	Y107 H109 F123 I124 T126 K134 I144 E145 F146 F469	Y107-W136 HydrophobicContact CD1-CH2 4.39Å; Y107-W136 AromaticContact CD1-CZ3 3.92Å; Y107-W136 HydrophobicContact CD1-CZ3 3.92Å; Y107-W136 HydrophobicContact CG-CZ3 4.4Å; H109-W136 AromaticContact NE2-CZ2 3.79Å; H109-W136 AromaticContact NE2-NE1 3.96Å; F123-W136 CarbonylContact C-O 3.57Å; F123-W136 WeakPolarHBondContact CA-O 3.25Å; I124-W136 HydrophobicContact CB-CB 4.23Å; I124-W136 PolarHBondContact N-O 3.12Å; I124-W136 PolarHBondContact O-N 3.21Å; T126-W136 PolarHBondContact OG1-NE1 3.29Å; K134-W136 HydrophobicContact CB-CZ2 4.14Å; K134-W136 HydrophobicContact CD-CH2 4.34Å; K134-W136 HydrophobicContact CD-CZ2 3.57Å; W136-I144 HydrophobicContact CB-CD1 3.52Å; W136-I144 HydrophobicContact CB-CG1 3.74Å; W136-I144 HydrophobicContact CD2-CD1 4.4Å; W136-I144 HydrophobicContact CE3-CD1 4.46Å; W136-I144 HydrophobicContact CE3-CG1 4.48Å; W136-I144 HydrophobicContact CG-CD1 4.05Å; W136-E145 CarbonylContact C-O 3.58Å; W136-E145 VanDerWaalsContact CA-O 3.22Å; W136-E145 WeakPolarHBondContact CA-O 3.34Å; W136-F146 HydrophobicContact CD2-CD2 4.44Å; W136-F146 HydrophobicContact CE3-CB 3.87Å; W136-F146 HydrophobicContact CE3-CD2 4.19Å; W136-F146 HydrophobicContact CH2-CD2 4.13Å; W136-F146 HydrophobicContact CZ2-CD2 4.36Å; W136-F146 HydrophobicContact CZ3-CB 3.74Å; W136-F146 HydrophobicContact CZ3-CD2 4.04Å; W136-F146 HydrophobicContact CZ3-CG 4.36Å; W136-F469 HydrophobicContact CD2-CE1 4.22Å; W136-F469 AromaticContact CD2-CZ 3.86Å; W136-F469 HydrophobicContact CD2-CZ 3.86Å; W136-F469 AromaticContact CE2-CE1 3.58Å; W136-F469 AromaticContact CE2-CZ 3.72Å; W136-F469 HydrophobicContact CE3-CZ 4.16Å; W136-F469 HydrophobicContact CG-CZ 4.32Å; W136-F469 HydrophobicContact CH2-CE1 4Å; W136-F469 HydrophobicContact CH2-CZ 4.23Å; W136-F469 AromaticContact CZ2-CE1 3.49Å; W136-F469 HydrophobicContact CZ2-CE1 3.49Å; W136-F469 VanDerWaalsContact CZ2-CE1 3.49Å; W136-F469 AromaticContact CZ2-CZ 3.94Å; W136-F469 HydrophobicContact CZ2-CZ 3.94Å; W136-F469 HydrophobicContact CZ3-CZ 4.33Å; W136-F469 AromaticContact NE1-CE1 3.85Å
137	K	89.1	Confident	85.7	Confident	85 Å²	85	42.1 Å²	42.1	37%	0.37	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.1	175.5	-171.6	174.5	-174.3	175.3	0	108.6	F123 E145 V147	F123-K137 HydrophobicContact CD1-CB 4.02Å; F123-K137 HydrophobicContact CD1-CG 4.26Å; F123-K137 HydrophobicContact CE1-CB 3.89Å; F123-K137 HydrophobicContact CE1-CD 3.81Å; F123-K137 HydrophobicContact CE1-CG 3.92Å; F123-K137 HydrophobicContact CZ-CD 4.21Å; K137-E145 PolarHBondContact N-O 2.89Å; K137-E145 PolarHBondContact O-N 2.99Å; K137-V147 HydrophobicContact CB-CG2 3.63Å
138	K	84.3	Confident	85.5	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.1	171.2	-165.1	-173.1	174.3	-153.4	0	109.3	I124 F427 D456 T458 F460	I124-K138 HydrophobicContact CD1-CB 3.86Å; K138-F427 HydrophobicContact CB-CE1 4.48Å; K138-F427 HydrophobicContact CB-CZ 4.42Å; K138-F427 HydrophobicContact CD-CD1 3.48Å; K138-F427 VanDerWaalsContact CD-CD1 3.48Å; K138-F427 HydrophobicContact CD-CE1 3.54Å; K138-F427 HydrophobicContact CD-CG 4.17Å; K138-F427 HydrophobicContact CD-CZ 4.28Å; K138-F427 HydrophobicContact CG-CE1 4.41Å; K138-D456 WeakPolarHBondContact CE-OD2 3.24Å; K138-D456 VanDerWaalsContact NZ-CG 3.29Å; K138-D456 PolarHBondContact NZ-O 2.8Å; K138-D456 IonicContact NZ-OD1 3.73Å; K138-D456 IonicContact NZ-OD2 3.83Å; K138-D456 PolarHBondContact NZ-OD2 3.37Å; K138-T458 WeakPolarHBondContact CE-OG1 3.36Å; K138-T458 PolarHBondContact NZ-OG1 2.86Å; K138-F460 HydrophobicContact CD-CE2 4.32Å; K138-F460 HydrophobicContact CD-CZ 4.03Å; K138-F460 HydrophobicContact CG-CZ 4.42Å
139	K	78.7	Confident	85.5	Confident	73 Å²	73	49.3 Å²	49.3	32%	0.317	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.5	167.3	-72.2	-179.9	171.5	170	0	108.8	D141 E142 G143 E145	K139-D141 VanDerWaalsContact C-N 3.34Å; K139-D141 PolarHBondContact O-N 2.78Å; K139-E142 HydrophobicContact CB-CB 4.31Å; K139-E142 HydrophobicContact CD-CB 4.27Å; K139-E142 WeakPolarHBondContact CD-OE2 3.36Å; K139-E142 IonicContact NZ-OE2 3.61Å; K139-E142 PolarHBondContact NZ-OE2 2.85Å; K139-G143 PolarHBondContact N-O 2.84Å; K139-G143 PolarHBondContact O-N 2.88Å; K139-E145 HydrophobicContact CD-CG 4.3Å; K139-E145 WeakPolarHBondContact CD-OE2 3.48Å; K139-E145 VanDerWaalsContact CE-CD 3.41Å; K139-E145 WeakPolarHBondContact CE-OE1 3.41Å; K139-E145 WeakPolarHBondContact CE-OE2 3.49Å; K139-E145 IonicContact NZ-OE1 2.79Å; K139-E145 PolarHBondContact NZ-OE1 2.91Å; K139-E145 IonicContact NZ-OE2 2.64Å; K139-E145 PolarHBondContact NZ-OE2 3.09Å
140	E	65.1	Low	85.5	Confident	68 Å²	68	47.1 Å²	47.1	32%	0.318	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-40.5	-177.2	-65.7	-178.7	150.3	0	0	112.2	V430	E140-V430 HydrophobicContact CG-CG2 4.08Å; E140-V430 WeakPolarHBondContact OE1-CB 3.37Å
141	D	63.3	Low	85.6	Confident	157 Å²	157	53 Å²	53	84%	0.84	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-27.8	-173.3	-63.8	-34.5	0	0	0	114.6	K139	K139-D141 VanDerWaalsContact C-N 3.34Å; K139-D141 PolarHBondContact O-N 2.78Å
142	E	65	Low	85.5	Confident	122 Å²	122	53.1 Å²	53.1	57%	0.57	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-2.8	-169.9	-67.1	177.7	150.9	0	0	113.6	K139	K139-E142 HydrophobicContact CB-CB 4.31Å; K139-E142 HydrophobicContact CD-CB 4.27Å; K139-E142 WeakPolarHBondContact CD-OE2 3.36Å; K139-E142 IonicContact NZ-OE2 3.61Å; K139-E142 PolarHBondContact NZ-OE2 2.85Å
143	G	75.8	Confident	85.5	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.4	-140.6	-176	0	0	0	0	0	112.3	K139	K139-G143 PolarHBondContact N-O 2.84Å; K139-G143 PolarHBondContact O-N 2.88Å
144	I	85.8	Confident	85.2	Confident	9 Å²	9	58.9 Å²	58.9	5%	0.046	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.3	-179	-170.1	177.5	0	0	0	111.1	Y107 I124 W136 F460 F469	Y107-I144 HydrophobicContact CD2-CG2 3.78Å; Y107-I144 HydrophobicContact CE1-CG2 3.86Å; Y107-I144 HydrophobicContact CE2-CG2 3.05Å; Y107-I144 HydrophobicContact CG-CG2 4.46Å; Y107-I144 WeakPolarHBondContact OH-CG2 3.41Å; Y107-I144 PolarHBondContact OH-O 2.65Å; I124-I144 HydrophobicContact CD1-CD1 3.97Å; I124-I144 HydrophobicContact CD1-CG1 4.46Å; W136-I144 HydrophobicContact CB-CD1 3.52Å; W136-I144 HydrophobicContact CB-CG1 3.74Å; W136-I144 HydrophobicContact CD2-CD1 4.4Å; W136-I144 HydrophobicContact CE3-CD1 4.46Å; W136-I144 HydrophobicContact CE3-CG1 4.48Å; W136-I144 HydrophobicContact CG-CD1 4.05Å; I144-F460 HydrophobicContact CD1-CD1 4.44Å; I144-F460 HydrophobicContact CD1-CE1 3.68Å; I144-F460 HydrophobicContact CD1-CZ 4.04Å; I144-F469 HydrophobicContact CD1-CE2 3.88Å; I144-F469 HydrophobicContact CD1-CZ 4.06Å
145	E	87.8	Confident	85	Confident	68 Å²	68	60.3 Å²	60.3	32%	0.318	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.1	178.8	-64.1	-172.1	152.5	0	0	110.9	W136 K137 K139	W136-E145 CarbonylContact C-O 3.58Å; W136-E145 VanDerWaalsContact CA-O 3.22Å; W136-E145 WeakPolarHBondContact CA-O 3.34Å; K137-E145 PolarHBondContact N-O 2.89Å; K137-E145 PolarHBondContact O-N 2.99Å; K139-E145 HydrophobicContact CD-CG 4.3Å; K139-E145 WeakPolarHBondContact CD-OE2 3.48Å; K139-E145 VanDerWaalsContact CE-CD 3.41Å; K139-E145 WeakPolarHBondContact CE-OE1 3.41Å; K139-E145 WeakPolarHBondContact CE-OE2 3.49Å; K139-E145 IonicContact NZ-OE1 2.79Å; K139-E145 PolarHBondContact NZ-OE1 2.91Å; K139-E145 IonicContact NZ-OE2 2.64Å; K139-E145 PolarHBondContact NZ-OE2 3.09Å
146	F	89.6	Confident	84.9	Confident	106 Å²	106	62.8 Å²	62.8	47%	0.465	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.1	169.7	172.8	-101.9	0	0	0	109.9	K134 W136 H149	K134-F146 HydrophobicContact CB-CE2 4.24Å; K134-F146 HydrophobicContact CD-CD2 4.41Å; K134-F146 HydrophobicContact CD-CE2 3.98Å; K134-F146 HydrophobicContact CG-CE2 4.08Å; W136-F146 HydrophobicContact CD2-CD2 4.44Å; W136-F146 HydrophobicContact CE3-CB 3.87Å; W136-F146 HydrophobicContact CE3-CD2 4.19Å; W136-F146 HydrophobicContact CH2-CD2 4.13Å; W136-F146 HydrophobicContact CZ2-CD2 4.36Å; W136-F146 HydrophobicContact CZ3-CB 3.74Å; W136-F146 HydrophobicContact CZ3-CD2 4.04Å; W136-F146 HydrophobicContact CZ3-CG 4.36Å; F146-H149 HydrophobicContact CE2-CB 3.96Å; F146-H149 HydrophobicContact CZ-CB 3.56Å
147	V	90.1	Very high	85	Confident	49 Å²	49	62.9 Å²	62.9	30%	0.297	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-61.3	-177.4	-177.3	0	0	0	0	111.2	F123 F135 K137 F186	F123-V147 HydrophobicContact CE1-CG2 4.34Å; F135-V147 HydrophobicContact CB-CB 4.22Å; F135-V147 WeakPolarHBondContact O-CB 3.48Å; F135-V147 PolarHBondContact O-N 3.28Å; K137-V147 HydrophobicContact CB-CG2 3.63Å; V147-F186 HydrophobicContact CG1-CD1 3.96Å; V147-F186 HydrophobicContact CG1-CD2 4.17Å; V147-F186 HydrophobicContact CG1-CE1 3.67Å; V147-F186 HydrophobicContact CG1-CE2 3.88Å; V147-F186 HydrophobicContact CG1-CG 4.2Å; V147-F186 HydrophobicContact CG1-CZ 3.61Å
148	K	91.4	Very high	85.1	Confident	70 Å²	70	60.3 Å²	60.3	30%	0.304	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	151.3	-173.5	-159.1	168	-176.6	-178.9	0	111.1	K134 F135 F150 F186 D187	K134-K148 WeakPolarHBondContact CA-O 3.41Å; F135-K148 PolarHBondContact N-O 3.3Å; F135-K148 PolarHBondContact O-N 3.08Å; K148-F150 HydrophobicContact CB-CE2 4.32Å; K148-F150 HydrophobicContact CD-CE2 3.59Å; K148-F150 HydrophobicContact CD-CZ 3.62Å; K148-F150 HydrophobicContact CG-CD2 4.39Å; K148-F150 HydrophobicContact CG-CE2 3.76Å; K148-F150 HydrophobicContact CG-CZ 4.13Å; K148-F186 HydrophobicContact CB-CB 4.49Å; K148-F186 HydrophobicContact CD-CB 3.61Å; K148-F186 WeakPolarHBondContact CD-O 3.42Å; K148-F186 WeakPolarHBondContact CE-O 3.31Å; K148-F186 PolarHBondContact NZ-O 3.45Å; K148-D187 IonicContact NZ-OD1 2.9Å; K148-D187 PolarHBondContact NZ-OD1 2.97Å
149	H	91.7	Very high	85.5	Confident	81 Å²	81	60.2 Å²	60.2	38%	0.375	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.6	178.3	162.9	-107.1	0	0	0	110.3	H132 K134 F146	H132-H149 AromaticContact CE1-CE1 3.52Å; H132-H149 AromaticContact CE1-NE2 3.46Å; H132-H149 PolarHBondContact CE1-NE2 2.97Å; H132-H149 AromaticContact CG-NE2 3.53Å; H132-H149 AromaticContact ND1-CD2 3.75Å; H132-H149 AromaticContact ND1-CE1 3.22Å; H132-H149 PolarHBondContact ND1-CE1 3.22Å; H132-H149 AromaticContact ND1-NE2 2.76Å; H132-H149 PolarHBondContact ND1-NE2 2.9Å; K134-H149 HydrophobicContact CG-CB 4.29Å; F146-H149 HydrophobicContact CE2-CB 3.96Å; F146-H149 HydrophobicContact CZ-CB 3.56Å
150	F	91.7	Very high	86.2	Confident	39 Å²	39	57.2 Å²	57.2	17%	0.171	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.5	177	-75.3	-78.7	0	0	0	110.2	H132 V133 F135 K148 S152 F181 F186	H132-F150 CarbonylContact C-O 3.57Å; H132-F150 WeakPolarHBondContact CA-O 3.48Å; V133-F150 PolarHBondContact N-O 2.97Å; V133-F150 PolarHBondContact O-N 3.48Å; F135-F150 AromaticContact CD2-CD2 3.95Å; F135-F150 HydrophobicContact CD2-CD2 3.95Å; F135-F150 HydrophobicContact CD2-CE2 4.19Å; F135-F150 AromaticContact CE2-CD2 3.66Å; F135-F150 HydrophobicContact CE2-CD2 3.66Å; F135-F150 AromaticContact CE2-CE2 3.95Å; F135-F150 HydrophobicContact CE2-CE2 3.95Å; K148-F150 HydrophobicContact CB-CE2 4.32Å; K148-F150 HydrophobicContact CD-CE2 3.59Å; K148-F150 HydrophobicContact CD-CZ 3.62Å; K148-F150 HydrophobicContact CG-CD2 4.39Å; K148-F150 HydrophobicContact CG-CE2 3.76Å; K148-F150 HydrophobicContact CG-CZ 4.13Å; F150-S152 PolarHBondContact O-N 3.4Å; F150-S152 VanDerWaalsContact O-N 3.1Å; F150-F181 HydrophobicContact CB-CE1 4.31Å; F150-F181 HydrophobicContact CD1-CE1 4.07Å; F150-F181 HydrophobicContact CD2-CD1 4.5Å; F150-F181 HydrophobicContact CD2-CE1 4.3Å; F150-F181 HydrophobicContact CE1-CE1 4.48Å; F150-F181 AromaticContact CG-CE1 3.97Å; F150-F181 HydrophobicContact CG-CE1 3.97Å; F150-F186 WeakPolarHBondContact CE2-O 3.49Å; F150-F186 WeakPolarHBondContact CZ-O 3.36Å
151	R	91.6	Very high	87.6	Confident	157 Å²	157	54 Å²	54	59%	0.592	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	82.1	158.2	-170	174.1	-177.1	-175.9	-0.1	108	H132	H132-R151 VanDerWaalsContact CE1-CB 3.49Å; H132-R151 WeakPolarHBondContact CE1-CB 3.49Å
152	S	89	Confident	89	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.021	23%	0.229	C	C	.	.			trans	-70.6	-46.2	-173.3	66.6	0	0	0	0	111.3	G131 V133 F150 K179	G131-S152 PolarHBondContact O-N 2.99Å; G131-S152 PolarHBondContact O-OG 3.31Å; V133-S152 VanDerWaalsContact CG2-OG 3.24Å; V133-S152 WeakPolarHBondContact CG2-OG 3.42Å; F150-S152 PolarHBondContact O-N 3.4Å; F150-S152 VanDerWaalsContact O-N 3.1Å; S152-K179 WeakPolarHBondContact O-CD 3.31Å; S152-K179 WeakPolarHBondContact O-CE 3.35Å; S152-K179 PolarHBondContact O-NZ 3.03Å
153	H	92.3	Very high	90.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	20%	0.204	C	C	.	.			trans	-124.3	157.9	-178.1	-66.3	-84.3	0	0	0	110.8	G131 S155 I157 S171 G173 D175 A177	G131-H153 PolarHBondContact O-N 2.77Å; H153-S155 WeakPolarHBondContact CB-O 3.48Å; H153-I157 HydrophobicContact CB-CG1 4.4Å; H153-S171 PolarHBondContact CD2-OG 3.09Å; H153-S171 PolarHBondContact NE2-O 3.02Å; H153-S171 PolarHBondContact NE2-OG 2.99Å; H153-G173 PolarHBondContact CE1-N 3.24Å; H153-D175 IonicContact CE1-OD1 2.65Å; H153-D175 IonicContact CG-OD1 3.35Å; H153-D175 IonicContact CG-OD2 3.86Å; H153-D175 VanDerWaalsContact ND1-CG 3.28Å; H153-D175 IonicContact ND1-OD1 3.8Å; H153-D175 PolarHBondContact ND1-OD1 2.93Å; H153-D175 IonicContact ND1-OD2 2.84Å; H153-D175 PolarHBondContact ND1-OD2 3.2Å; H153-A177 PolarHBondContact CE1-O 3.46Å; H153-A177 VanDerWaalsContact CE1-O 3.24Å
154	L	88.6	Confident	90.8	Very high	135 Å²	135	42.7 Å²	42.7	71%	0.707	21%	0.21	S	C	*	.	S	Bend	trans	-85.4	-20.5	171.4	-67.8	175.5	0	0	0	112	D175	L154-D175 PolarHBondContact N-OD2 2.96Å
155	S	89.3	Confident	90.7	Very high	33 Å²	33	46.7 Å²	46.7	23%	0.231	23%	0.228	C	C	.	.	S	Bend	trans	-118.9	-176.2	-179.3	61.9	0	0	0	0	110.7	G131 H153 D174 D175	G131-S155 WeakPolarHBondContact CA-O 3.44Å; H153-S155 WeakPolarHBondContact CB-O 3.48Å; S155-D174 PolarHBondContact OG-N 3.12Å; S155-D175 WeakPolarHBondContact OG-CB 3.3Å; S155-D175 PolarHBondContact OG-N 3.05Å
156	V	90.9	Very high	90.6	Very high	51 Å²	51	43.4 Å²	43.4	31%	0.309	21%	0.213	S	C	.	.			trans	-63.9	136.8	-178.9	-174.3	0	0	0	0	111	Q129 G173 D174	Q129-V156 HydrophobicContact CG-CG1 4.04Å; Q129-V156 HydrophobicContact CG-CG2 4.01Å; Q129-V156 WeakPolarHBondContact O-CA 3.42Å; Q129-V156 WeakPolarHBondContact O-CG2 3.33Å; V156-G173 WeakPolarHBondContact O-CA 3.33Å; V156-D174 PolarHBondContact O-N 3.41Å
157	I	93.4	Very high	90.6	Very high	3 Å²	3	40 Å²	40	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123	171.8	-58.6	173.4	0	0	0	108.1	A127 V133 H153 I160 V172	A127-I157 HydrophobicContact CB-CD1 3.73Å; A127-I157 HydrophobicContact CB-CG2 4.42Å; V133-I157 HydrophobicContact CG2-CD1 3.65Å; H153-I157 HydrophobicContact CB-CG1 4.4Å; I157-I160 HydrophobicContact CG2-CG2 3.64Å; I157-V172 WeakPolarHBondContact CA-O 3.25Å; I157-V172 WeakPolarHBondContact CG2-O 3.46Å
158	E	91.9	Very high	90.7	Very high	32 Å²	32	37.8 Å²	37.8	15%	0.15	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-36.1	-179.2	-71.1	-72.9	168.3	0	0	112	H115 V172 K219	H115-E158 PolarHBondContact CE1-O 3.07Å; H115-E158 VanDerWaalsContact CE1-O 3.23Å; H115-E158 PolarHBondContact NE2-O 2.93Å; E158-V172 PolarHBondContact N-O 2.91Å; E158-K219 VanDerWaalsContact CD-NZ 3.34Å; E158-K219 IonicContact OE1-NZ 2.94Å; E158-K219 PolarHBondContact OE1-NZ 2.9Å; E158-K219 IonicContact OE2-NZ 3.03Å
159	S	92.3	Very high	90.8	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.6	-178.6	-177.2	0	0	0	0	111.5	V172 G199 Q200 C201	S159-V172 PolarHBondContact N-O 3.41Å; S159-V172 PolarHBondContact O-N 3.42Å; S159-G199 WeakPolarHBondContact CB-O 3.34Å; S159-Q200 PolarHBondContact OG-OE1 3.02Å; S159-C201 VanDerWaalsContact CB-SG 3.58Å; S159-C201 PolarHBondContact OG-N 3.33Å; S159-C201 PolarHBondContact OG-SG 2.79Å
160	I	94.4	Very high	91	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.2	169.4	67	171	0	0	0	109.7	H115 V117 A127 I157 F169 C170	H115-I160 HydrophobicContact CB-CD1 3.35Å; H115-I160 HydrophobicContact CB-CG1 3.53Å; H115-I160 HydrophobicContact CB-CG2 4.39Å; V117-I160 HydrophobicContact CB-CD1 4.2Å; V117-I160 HydrophobicContact CG2-CD1 3.65Å; V117-I160 HydrophobicContact CG2-CG1 3.87Å; A127-I160 HydrophobicContact CB-CD1 4.45Å; A127-I160 HydrophobicContact CB-CG2 4.04Å; I157-I160 HydrophobicContact CG2-CG2 3.64Å; I160-F169 HydrophobicContact CB-CE2 3.69Å; I160-F169 HydrophobicContact CB-CZ 3.99Å; I160-F169 HydrophobicContact CD1-CE2 4.12Å; I160-F169 HydrophobicContact CG1-CE2 4.38Å; I160-F169 HydrophobicContact CG2-CE2 4.11Å; I160-F169 HydrophobicContact CG2-CZ 3.87Å; I160-C170 WeakPolarHBondContact CA-O 3.38Å
161	A	93.6	Very high	91.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.7	172.6	0	0	0	0	0	111.6	F169 C170 C201 E202 W203	A161-F169 CarbonylContact O-C 3.52Å; A161-F169 WeakPolarHBondContact O-CA 3.35Å; A161-C170 PolarHBondContact N-O 2.65Å; A161-C170 PolarHBondContact O-N 3.06Å; A161-C201 WeakPolarHBondContact CB-O 3Å; A161-E202 WeakPolarHBondContact CB-OE2 3.48Å; A161-W203 PolarHBondContact O-NE1 2.93Å
162	V	92.9	Very high	91.3	Very high	20 Å²	20	21.2 Å²	21.2	12%	0.121	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.9	173.8	175.2	0	0	0	0	107.9	V117 I125 L168 F169 W203	V117-V162 HydrophobicContact CB-CG2 4.15Å; V117-V162 HydrophobicContact CG1-CB 3.92Å; V117-V162 HydrophobicContact CG1-CG2 3.44Å; V117-V162 VanDerWaalsContact CG1-CG2 3.44Å; I125-V162 HydrophobicContact CD1-CG2 3.98Å; V162-L168 WeakPolarHBondContact CA-O 3.24Å; V162-F169 HydrophobicContact CG2-CD2 3.82Å; V162-W203 VanDerWaalsContact C-CD1 3.42Å
163	S	91.8	Very high	91.4	Very high	5 Å²	5	21.1 Å²	21.1	4%	0.035	12%	0.121	C	C	.	.			trans	-67.3	159	179	70.4	0	0	0	0	111.9	E165 G166 A167 L168 W203 Y205	S163-E165 PolarHBondContact O-N 3.06Å; S163-G166 PolarHBondContact O-N 2.81Å; S163-G166 PolarHBondContact OG-N 3.27Å; S163-A167 PolarHBondContact OG-N 3.44Å; S163-L168 PolarHBondContact N-O 2.97Å; S163-L168 PolarHBondContact OG-N 3.06Å; S163-L168 VanDerWaalsContact OG-N 3.15Å; S163-L168 PolarHBondContact OG-O 3.37Å; S163-W203 VanDerWaalsContact N-CD1 3.33Å; S163-Y205 WeakPolarHBondContact CB-OH 3.43Å; S163-Y205 PolarHBondContact OG-OH 3.42Å; S163-Y205 VanDerWaalsContact OG-OH 3.12Å
164	A	86.1	Confident	91.4	Very high	19 Å²	19	23.9 Å²	23.9	16%	0.157	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.8	-179	0	0	0	0	0	113.7	K120 P254	K120-A164 VanDerWaalsContact CD-O 3.28Å; K120-A164 WeakPolarHBondContact CD-O 3.48Å; K120-A164 WeakPolarHBondContact CE-O 3.37Å; K120-A164 PolarHBondContact NZ-O 3.22Å; A164-P254 HydrophobicContact CB-CB 4.37Å; A164-P254 HydrophobicContact CB-CG 4.14Å
165	E	84.5	Confident	91.5	Very high	93 Å²	93	19.9 Å²	19.9	44%	0.435	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-18.4	175.4	-66.4	-59.7	95.8	0	0	113.6	S163 A167 P207	S163-E165 PolarHBondContact O-N 3.06Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-P207 HydrophobicContact CG-CB 4.01Å; E165-P207 HydrophobicContact CG-CG 3.66Å; E165-P207 WeakPolarHBondContact OE1-CG 3.33Å
166	G	85.9	Confident	91.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	82.6	4	-173.7	0	0	0	0	0	115.4	S119 T121 S163 V183	S119-G166 VanDerWaalsContact OG-C 3.28Å; S119-G166 WeakPolarHBondContact OG-CA 3.49Å; S119-G166 PolarHBondContact OG-O 2.68Å; T121-G166 PolarHBondContact OG1-O 3.4Å; S163-G166 PolarHBondContact O-N 2.81Å; S163-G166 PolarHBondContact OG-N 3.27Å; G166-V183 WeakPolarHBondContact O-CB 3.43Å
167	A	88.7	Confident	91.8	Very high	34 Å²	34	19.5 Å²	19.5	28%	0.281	11%	0.108	S	C	.	.	S	Bend	trans	-81.9	-31.9	-178.5	0	0	0	0	0	113.3	S163 E165 V183	S163-A167 PolarHBondContact OG-N 3.44Å; E165-A167 VanDerWaalsContact C-N 3.32Å; A167-V183 PolarHBondContact O-N 2.64Å
168	L	92.6	Very high	91.8	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.8	-175.8	-63.3	178.6	0	0	0	110.4	V162 S163 F181 I189 W203 Y205 C212	V162-L168 WeakPolarHBondContact CA-O 3.24Å; S163-L168 PolarHBondContact N-O 2.97Å; S163-L168 PolarHBondContact OG-N 3.06Å; S163-L168 VanDerWaalsContact OG-N 3.15Å; S163-L168 PolarHBondContact OG-O 3.37Å; L168-F181 WeakPolarHBondContact CA-O 3.45Å; L168-I189 HydrophobicContact CD2-CD1 3.49Å; L168-I189 VanDerWaalsContact CD2-CD1 3.49Å; L168-W203 HydrophobicContact CB-CH2 4.07Å; L168-W203 HydrophobicContact CB-CZ2 3.71Å; L168-W203 HydrophobicContact CD1-CH2 3.88Å; L168-W203 HydrophobicContact CD1-CZ2 4.39Å; L168-W203 HydrophobicContact CD1-CZ3 4.09Å; L168-Y205 HydrophobicContact CD1-CE1 4.42Å; L168-C212 HydrophobicContact CD1-CB 3.95Å
169	F	94.5	Very high	91.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.3	175.6	166.5	-101.1	0	0	0	108.9	I125 V133 F135 I160 A161 V162 V180 F181 V183	I125-F169 HydrophobicContact CB-CE2 4.33Å; I125-F169 HydrophobicContact CD1-CB 3.94Å; I125-F169 HydrophobicContact CD1-CD2 3.55Å; I125-F169 HydrophobicContact CD1-CE2 4.15Å; I125-F169 HydrophobicContact CD1-CG 3.79Å; I125-F169 HydrophobicContact CG2-CD2 4.09Å; I125-F169 HydrophobicContact CG2-CE1 4.28Å; I125-F169 HydrophobicContact CG2-CE2 3.59Å; I125-F169 HydrophobicContact CG2-CZ 3.71Å; V133-F169 HydrophobicContact CG1-CE1 3.92Å; V133-F169 HydrophobicContact CG1-CZ 4.02Å; V133-F169 HydrophobicContact CG2-CE1 4.43Å; V133-F169 HydrophobicContact CG2-CZ 4.39Å; F135-F169 HydrophobicContact CZ-CD1 4.17Å; I160-F169 HydrophobicContact CB-CE2 3.69Å; I160-F169 HydrophobicContact CB-CZ 3.99Å; I160-F169 HydrophobicContact CD1-CE2 4.12Å; I160-F169 HydrophobicContact CG1-CE2 4.38Å; I160-F169 HydrophobicContact CG2-CE2 4.11Å; I160-F169 HydrophobicContact CG2-CZ 3.87Å; A161-F169 CarbonylContact O-C 3.52Å; A161-F169 WeakPolarHBondContact O-CA 3.35Å; V162-F169 HydrophobicContact CG2-CD2 3.82Å; F169-V180 CarbonylContact O-C 3.53Å; F169-V180 WeakPolarHBondContact O-CA 3.4Å; F169-F181 HydrophobicContact CB-CB 4.35Å; F169-F181 HydrophobicContact CD1-CB 3.96Å; F169-F181 AromaticContact CD1-CD2 3.46Å; F169-F181 HydrophobicContact CD1-CD2 3.46Å; F169-F181 VanDerWaalsContact CD1-CD2 3.46Å; F169-F181 HydrophobicContact CD1-CE2 4.22Å; F169-F181 AromaticContact CD1-CG 3.93Å; F169-F181 HydrophobicContact CD1-CG 3.93Å; F169-F181 AromaticContact CE1-CD2 3.8Å; F169-F181 HydrophobicContact CE1-CD2 3.8Å; F169-F181 HydrophobicContact CE1-CE2 4.09Å; F169-F181 PolarHBondContact N-O 3.02Å; F169-F181 PolarHBondContact O-N 2.94Å; F169-V183 HydrophobicContact CB-CG2 3.52Å
170	C	94.2	Very high	92	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.4	170.6	64.2	0	0	0	0	110.7	I160 A161 K179 V180 W203	I160-C170 WeakPolarHBondContact CA-O 3.38Å; A161-C170 PolarHBondContact N-O 2.65Å; A161-C170 PolarHBondContact O-N 3.06Å; C170-K179 VanDerWaalsContact CA-O 3.29Å; C170-K179 WeakPolarHBondContact CA-O 3.49Å; C170-V180 HydrophobicContact CB-CG2 4.44Å; C170-W203 HydrophobicContact CB-CZ2 3.84Å; C170-W203 PolarHBondContact SG-NE1 3.39Å; C170-W203 VanDerWaalsContact SG-NE1 3.36Å
171	S	95.1	Very high	92	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.1	168.8	66	0	0	0	0	109.8	H153 M178 K179 F181	H153-S171 PolarHBondContact CD2-OG 3.09Å; H153-S171 PolarHBondContact NE2-O 3.02Å; H153-S171 PolarHBondContact NE2-OG 2.99Å; S171-M178 WeakPolarHBondContact O-CA 3.34Å; S171-K179 PolarHBondContact N-O 3.35Å; S171-K179 PolarHBondContact O-N 3.16Å; S171-F181 WeakPolarHBondContact OG-CE2 3.35Å
172	V	94.3	Very high	92	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.9	-179.7	168.3	0	0	0	0	108.3	I157 E158 S159 M178 P198 C201	I157-V172 WeakPolarHBondContact CA-O 3.25Å; I157-V172 WeakPolarHBondContact CG2-O 3.46Å; E158-V172 PolarHBondContact N-O 2.91Å; S159-V172 PolarHBondContact N-O 3.41Å; S159-V172 PolarHBondContact O-N 3.42Å; V172-M178 HydrophobicContact CG2-CB 3.85Å; V172-M178 HydrophobicContact CG2-CG 3.6Å; V172-M178 HydrophobicContact CG2-SD 3.83Å; V172-P198 HydrophobicContact CG1-CB 3.3Å; V172-P198 HydrophobicContact CG1-CG 3.2Å; V172-C201 HydrophobicContact CB-CB 4.28Å; V172-C201 HydrophobicContact CG2-CB 3.56Å
173	G	92.9	Very high	91.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	164.9	-177.9	0	0	0	0	0	112.6	H153 V156 D175 Q176 A177 P198	H153-G173 PolarHBondContact CE1-N 3.24Å; V156-G173 WeakPolarHBondContact O-CA 3.33Å; G173-D175 PolarHBondContact O-N 3.06Å; G173-D175 VanDerWaalsContact O-N 3.08Å; G173-Q176 PolarHBondContact O-N 2.96Å; G173-A177 PolarHBondContact N-O 3.42Å; G173-P198 WeakPolarHBondContact O-CD 3.3Å; G173-P198 WeakPolarHBondContact O-CG 3.37Å
174	D	91.4	Very high	91.6	Very high	61 Å²	61	21.8 Å²	21.8	33%	0.326	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-3.7	176.7	-163.2	40	0	0	0	112.9	S155 V156 Q176 H197	S155-D174 PolarHBondContact OG-N 3.12Å; V156-D174 PolarHBondContact O-N 3.41Å; D174-Q176 PolarHBondContact O-N 3.46Å; D174-H197 PolarHBondContact O-ND1 3.29Å; D174-H197 IonicContact OD1-CE1 3.75Å; D174-H197 IonicContact OD1-CG 3.77Å; D174-H197 IonicContact OD1-ND1 2.85Å; D174-H197 PolarHBondContact OD1-ND1 3.17Å
175	D	91.5	Very high	91.7	Very high	50 Å²	50	25.7 Å²	25.7	27%	0.267	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	13.8	172.9	64.7	-5.5	0	0	0	113	H153 L154 S155 G173 A177	H153-D175 IonicContact CE1-OD1 2.65Å; H153-D175 IonicContact CG-OD1 3.35Å; H153-D175 IonicContact CG-OD2 3.86Å; H153-D175 VanDerWaalsContact ND1-CG 3.28Å; H153-D175 IonicContact ND1-OD1 3.8Å; H153-D175 PolarHBondContact ND1-OD1 2.93Å; H153-D175 IonicContact ND1-OD2 2.84Å; H153-D175 PolarHBondContact ND1-OD2 3.2Å; L154-D175 PolarHBondContact N-OD2 2.96Å; S155-D175 WeakPolarHBondContact OG-CB 3.3Å; S155-D175 PolarHBondContact OG-N 3.05Å; G173-D175 PolarHBondContact O-N 3.06Å; G173-D175 VanDerWaalsContact O-N 3.08Å; D175-A177 PolarHBondContact O-N 3.26Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-A177 PolarHBondContact OD1-N 3.12Å
176	Q	92.4	Very high	91.9	Very high	69 Å²	69	23.5 Å²	23.5	32%	0.322	13%	0.128	S	C	.	.	S	Bend	trans	60.7	22.4	177.6	-51.2	-178.8	-16.2	0	0	113.7	G173 D174 M194 F196 H197	G173-Q176 PolarHBondContact O-N 2.96Å; D174-Q176 PolarHBondContact O-N 3.46Å; Q176-M194 PolarHBondContact O-N 3.03Å; Q176-F196 WeakPolarHBondContact CB-O 3.33Å; Q176-F196 WeakPolarHBondContact CG-O 3.37Å; Q176-H197 PolarHBondContact NE2-NE2 2.92Å
177	A	92.6	Very high	92	Very high	7 Å²	7	27.4 Å²	27.4	6%	0.058	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.4	178.4	0	0	0	0	0	111	H153 G173 D175 L192	H153-A177 PolarHBondContact CE1-O 3.46Å; H153-A177 VanDerWaalsContact CE1-O 3.24Å; G173-A177 PolarHBondContact N-O 3.42Å; D175-A177 PolarHBondContact O-N 3.26Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-A177 PolarHBondContact OD1-N 3.12Å; A177-L192 WeakPolarHBondContact CA-O 3.26Å
178	M	93.9	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.1	165.2	177.7	164.2	66.6	0	0	108	S171 V172 L192 M194 V214 C216 Y227	S171-M178 WeakPolarHBondContact O-CA 3.34Å; V172-M178 HydrophobicContact CG2-CB 3.85Å; V172-M178 HydrophobicContact CG2-CG 3.6Å; V172-M178 HydrophobicContact CG2-SD 3.83Å; M178-L192 HydrophobicContact CB-CB 4.31Å; M178-L192 HydrophobicContact CE-CB 4.38Å; M178-L192 HydrophobicContact CE-CD1 3.38Å; M178-L192 PolarHBondContact N-O 2.91Å; M178-L192 PolarHBondContact O-N 2.99Å; M178-M194 HydrophobicContact CB-CG 4.47Å; M178-M194 HydrophobicContact CE-SD 4.27Å; M178-V214 HydrophobicContact CE-CG1 3.42Å; M178-V214 VanDerWaalsContact CE-CG1 3.42Å; M178-V214 HydrophobicContact CE-CG2 4.28Å; M178-V214 HydrophobicContact SD-CG1 4.1Å; M178-V214 HydrophobicContact SD-CG2 3.85Å; M178-C216 HydrophobicContact SD-CB 4.41Å; M178-Y227 HydrophobicContact CE-CD2 4.05Å; M178-Y227 HydrophobicContact CE-CG 4.26Å
179	K	94.4	Very high	92	Very high	26 Å²	26	33.2 Å²	33.2	11%	0.113	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130	-179	-66.9	-179.9	-170.1	-164.2	0	109.5	S152 C170 S171 F181 M188 M191	S152-K179 WeakPolarHBondContact O-CD 3.31Å; S152-K179 WeakPolarHBondContact O-CE 3.35Å; S152-K179 PolarHBondContact O-NZ 3.03Å; C170-K179 VanDerWaalsContact CA-O 3.29Å; C170-K179 WeakPolarHBondContact CA-O 3.49Å; S171-K179 PolarHBondContact N-O 3.35Å; S171-K179 PolarHBondContact O-N 3.16Å; K179-F181 HydrophobicContact CB-CD2 4.46Å; K179-F181 HydrophobicContact CB-CE2 3.57Å; K179-F181 HydrophobicContact CB-CZ 3.97Å; K179-M188 HydrophobicContact CB-SD 4.39Å; K179-M188 HydrophobicContact CD-SD 3.97Å; K179-M188 HydrophobicContact CG-SD 4.26Å; K179-M191 HydrophobicContact CD-CE 4.03Å; K179-M191 VanDerWaalsContact CE-CE 3.47Å; K179-M191 HydrophobicContact CG-CB 4.44Å; K179-M191 HydrophobicContact CG-CE 4.38Å; K179-M191 HydrophobicContact CG-CG 4.02Å
180	V	94.8	Very high	91.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.3	-178	176.4	0	0	0	0	108.5	F169 C170 M188 I189 N190 W203	F169-V180 CarbonylContact O-C 3.53Å; F169-V180 WeakPolarHBondContact O-CA 3.4Å; C170-V180 HydrophobicContact CB-CG2 4.44Å; V180-M188 CarbonylContact O-C 3.46Å; V180-I189 HydrophobicContact CG1-CD1 4.41Å; V180-I189 PolarHBondContact O-N 3.34Å; V180-N190 HydrophobicContact CB-CB 4.23Å; V180-N190 PolarHBondContact N-O 2.79Å; V180-N190 PolarHBondContact O-N 3.02Å; V180-W203 HydrophobicContact CG1-CH2 3.69Å; V180-W203 HydrophobicContact CG1-CZ2 3.88Å; V180-W203 HydrophobicContact CG2-CH2 4.11Å; V180-W203 HydrophobicContact CG2-CZ2 4.31Å
181	F	94.3	Very high	91.7	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146	-178.2	-57.4	-101.7	0	0	0	110.5	F135 F150 L168 F169 S171 K179 D187 M188	F135-F181 HydrophobicContact CZ-CB 4.4Å; F150-F181 HydrophobicContact CB-CE1 4.31Å; F150-F181 HydrophobicContact CD1-CE1 4.07Å; F150-F181 HydrophobicContact CD2-CD1 4.5Å; F150-F181 HydrophobicContact CD2-CE1 4.3Å; F150-F181 HydrophobicContact CE1-CE1 4.48Å; F150-F181 AromaticContact CG-CE1 3.97Å; F150-F181 HydrophobicContact CG-CE1 3.97Å; L168-F181 WeakPolarHBondContact CA-O 3.45Å; F169-F181 HydrophobicContact CB-CB 4.35Å; F169-F181 HydrophobicContact CD1-CB 3.96Å; F169-F181 AromaticContact CD1-CD2 3.46Å; F169-F181 HydrophobicContact CD1-CD2 3.46Å; F169-F181 VanDerWaalsContact CD1-CD2 3.46Å; F169-F181 HydrophobicContact CD1-CE2 4.22Å; F169-F181 AromaticContact CD1-CG 3.93Å; F169-F181 HydrophobicContact CD1-CG 3.93Å; F169-F181 AromaticContact CE1-CD2 3.8Å; F169-F181 HydrophobicContact CE1-CD2 3.8Å; F169-F181 HydrophobicContact CE1-CE2 4.09Å; F169-F181 PolarHBondContact N-O 3.02Å; F169-F181 PolarHBondContact O-N 2.94Å; S171-F181 WeakPolarHBondContact OG-CE2 3.35Å; K179-F181 HydrophobicContact CB-CD2 4.46Å; K179-F181 HydrophobicContact CB-CE2 3.57Å; K179-F181 HydrophobicContact CB-CZ 3.97Å; F181-D187 CarbonylContact C-O 3.55Å; F181-D187 VanDerWaalsContact CA-O 3.27Å; F181-D187 WeakPolarHBondContact CA-O 3.28Å; F181-M188 HydrophobicContact CD1-CB 3.85Å; F181-M188 HydrophobicContact CD1-CG 4.3Å; F181-M188 HydrophobicContact CE1-CB 3.77Å; F181-M188 HydrophobicContact CE1-CG 4.02Å; F181-M188 HydrophobicContact CZ-CG 4.3Å
182	D	92.8	Very high	91.5	Very high	22 Å²	22	38 Å²	38	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.4	161.5	-161.9	-39.4	0	0	0	108.6	V184 N185 F186 D187 I189	D182-V184 PolarHBondContact OD1-N 2.66Å; D182-N185 HydrophobicContact CB-CB 4.07Å; D182-N185 PolarHBondContact OD1-N 2.9Å; D182-N185 VanDerWaalsContact OD1-N 3.17Å; D182-N185 PolarHBondContact OD2-ND2 2.99Å; D182-F186 WeakPolarHBondContact O-CA 3.24Å; D182-F186 PolarHBondContact O-N 3.41Å; D182-D187 PolarHBondContact N-O 2.97Å; D182-D187 PolarHBondContact O-N 3.02Å; D182-I189 HydrophobicContact CB-CD1 3.76Å; D182-I189 HydrophobicContact CB-CG1 3.97Å
183	V	89.2	Confident	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-31	179.5	-179.2	0	0	0	0	111	F123 I125 F135 G166 A167 F169 F186	F123-V183 HydrophobicContact CB-CG1 3.82Å; F123-V183 HydrophobicContact CD2-CG1 3.65Å; F123-V183 HydrophobicContact CG-CG1 3.97Å; I125-V183 HydrophobicContact CD1-CG1 4.38Å; I125-V183 HydrophobicContact CD1-CG2 4.05Å; F135-V183 HydrophobicContact CE1-CG1 4.37Å; F135-V183 HydrophobicContact CE1-CG2 4.42Å; G166-V183 WeakPolarHBondContact O-CB 3.43Å; A167-V183 PolarHBondContact O-N 2.64Å; F169-V183 HydrophobicContact CB-CG2 3.52Å; V183-F186 WeakPolarHBondContact O-CD1 3.48Å; V183-F186 WeakPolarHBondContact O-CE1 3.39Å
184	V	87.7	Confident	91.1	Very high	74 Å²	74	45.7 Å²	45.7	45%	0.448	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-43.2	-175.2	-179	0	0	0	0	110.9	T121 D182 F186	T121-V184 HydrophobicContact CG2-CG2 4.41Å; D182-V184 PolarHBondContact OD1-N 2.66Å; V184-F186 VanDerWaalsContact C-N 3.35Å; V184-F186 WeakPolarHBondContact O-CE2 3.17Å
185	N	89.1	Confident	90.8	Very high	101 Å²	101	45.9 Å²	45.9	54%	0.54	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.4	178.5	-64	-50	0	0	0	112.9	D182 D187	D182-N185 HydrophobicContact CB-CB 4.07Å; D182-N185 PolarHBondContact OD1-N 2.9Å; D182-N185 VanDerWaalsContact OD1-N 3.17Å; D182-N185 PolarHBondContact OD2-ND2 2.99Å; N185-D187 VanDerWaalsContact C-N 3.31Å; N185-D187 PolarHBondContact O-N 3.03Å
186	F	87.4	Confident	90.8	Very high	46 Å²	46	44.5 Å²	44.5	20%	0.202	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	40.8	-177.2	-41.9	-70.2	0	0	0	113.3	F123 F135 V147 K148 F150 D182 V183 V184	F123-F186 AromaticContact CD1-CE1 3.79Å; F123-F186 HydrophobicContact CD1-CE1 3.79Å; F123-F186 HydrophobicContact CD1-CZ 4.28Å; F123-F186 AromaticContact CE1-CE1 3.34Å; F123-F186 HydrophobicContact CE1-CE1 3.34Å; F123-F186 AromaticContact CE1-CZ 3.38Å; F123-F186 HydrophobicContact CE1-CZ 3.38Å; F123-F186 HydrophobicContact CE2-CE1 4.19Å; F123-F186 HydrophobicContact CE2-CZ 4.27Å; F123-F186 HydrophobicContact CG-CE1 4.38Å; F123-F186 AromaticContact CZ-CE1 3.58Å; F123-F186 HydrophobicContact CZ-CE1 3.58Å; F123-F186 AromaticContact CZ-CZ 3.37Å; F123-F186 HydrophobicContact CZ-CZ 3.37Å; F135-F186 HydrophobicContact CD1-CD1 4.34Å; F135-F186 HydrophobicContact CG-CD1 4.45Å; V147-F186 HydrophobicContact CG1-CD1 3.96Å; V147-F186 HydrophobicContact CG1-CD2 4.17Å; V147-F186 HydrophobicContact CG1-CE1 3.67Å; V147-F186 HydrophobicContact CG1-CE2 3.88Å; V147-F186 HydrophobicContact CG1-CG 4.2Å; V147-F186 HydrophobicContact CG1-CZ 3.61Å; K148-F186 HydrophobicContact CB-CB 4.49Å; K148-F186 HydrophobicContact CD-CB 3.61Å; K148-F186 WeakPolarHBondContact CD-O 3.42Å; K148-F186 WeakPolarHBondContact CE-O 3.31Å; K148-F186 PolarHBondContact NZ-O 3.45Å; F150-F186 WeakPolarHBondContact CE2-O 3.49Å; F150-F186 WeakPolarHBondContact CZ-O 3.36Å; D182-F186 WeakPolarHBondContact O-CA 3.24Å; D182-F186 PolarHBondContact O-N 3.41Å; V183-F186 WeakPolarHBondContact O-CD1 3.48Å; V183-F186 WeakPolarHBondContact O-CE1 3.39Å; V184-F186 VanDerWaalsContact C-N 3.35Å; V184-F186 WeakPolarHBondContact O-CE2 3.17Å
187	D	88.4	Confident	90.7	Very high	83 Å²	83	45.1 Å²	45.1	44%	0.444	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.9	-177.7	-77.4	-26.1	0	0	0	111.6	K148 F181 D182 N185 I189	K148-D187 IonicContact NZ-OD1 2.9Å; K148-D187 PolarHBondContact NZ-OD1 2.97Å; F181-D187 CarbonylContact C-O 3.55Å; F181-D187 VanDerWaalsContact CA-O 3.27Å; F181-D187 WeakPolarHBondContact CA-O 3.28Å; D182-D187 PolarHBondContact N-O 2.97Å; D182-D187 PolarHBondContact O-N 3.02Å; N185-D187 VanDerWaalsContact C-N 3.31Å; N185-D187 PolarHBondContact O-N 3.03Å; D187-I189 PolarHBondContact O-N 3.21Å
188	M	89.6	Confident	90.7	Very high	86 Å²	86	44.8 Å²	44.8	42%	0.424	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.3	172.7	-174.4	-177.9	66.3	0	0	108.4	K179 V180 F181 M191	K179-M188 HydrophobicContact CB-SD 4.39Å; K179-M188 HydrophobicContact CD-SD 3.97Å; K179-M188 HydrophobicContact CG-SD 4.26Å; V180-M188 CarbonylContact O-C 3.46Å; F181-M188 HydrophobicContact CD1-CB 3.85Å; F181-M188 HydrophobicContact CD1-CG 4.3Å; F181-M188 HydrophobicContact CE1-CB 3.77Å; F181-M188 HydrophobicContact CE1-CG 4.02Å; F181-M188 HydrophobicContact CZ-CG 4.3Å; M188-M191 HydrophobicContact CE-CE 3.83Å; M188-M191 HydrophobicContact SD-CE 3.87Å
189	I	90.8	Very high	90.6	Very high	71 Å²	71	45.1 Å²	45.1	36%	0.364	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-47.7	-178.4	-58.8	164.9	0	0	0	110.1	L168 V180 D182 D187	L168-I189 HydrophobicContact CD2-CD1 3.49Å; L168-I189 VanDerWaalsContact CD2-CD1 3.49Å; V180-I189 HydrophobicContact CG1-CD1 4.41Å; V180-I189 PolarHBondContact O-N 3.34Å; D182-I189 HydrophobicContact CB-CD1 3.76Å; D182-I189 HydrophobicContact CB-CG1 3.97Å; D187-I189 PolarHBondContact O-N 3.21Å
190	N	91.6	Very high	90.4	Very high	33 Å²	33	46 Å²	46	18%	0.176	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.9	-169.3	-157.8	5.3	0	0	0	112.1	V180 G229 G231	V180-N190 HydrophobicContact CB-CB 4.23Å; V180-N190 PolarHBondContact N-O 2.79Å; V180-N190 PolarHBondContact O-N 3.02Å; N190-G229 WeakPolarHBondContact CB-O 3.27Å; N190-G229 PolarHBondContact ND2-O 3.14Å; N190-G231 PolarHBondContact ND2-O 3.42Å
191	M	91.9	Very high	90.4	Very high	68 Å²	68	46 Å²	46	34%	0.335	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	105.5	174.5	-178.1	-178.9	-49.9	0	0	109.1	K179 M188	K179-M191 HydrophobicContact CD-CE 4.03Å; K179-M191 VanDerWaalsContact CE-CE 3.47Å; K179-M191 HydrophobicContact CG-CB 4.44Å; K179-M191 HydrophobicContact CG-CE 4.38Å; K179-M191 HydrophobicContact CG-CG 4.02Å; M188-M191 HydrophobicContact CE-CE 3.83Å; M188-M191 HydrophobicContact SD-CE 3.87Å
192	L	91.6	Very high	90.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.7	-179.9	-62	167.9	0	0	0	109.3	A177 M178 S232 N233	A177-L192 WeakPolarHBondContact CA-O 3.26Å; M178-L192 HydrophobicContact CB-CB 4.31Å; M178-L192 HydrophobicContact CE-CB 4.38Å; M178-L192 HydrophobicContact CE-CD1 3.38Å; M178-L192 PolarHBondContact N-O 2.91Å; M178-L192 PolarHBondContact O-N 2.99Å; L192-S232 VanDerWaalsContact CD2-O 3.3Å; L192-S232 WeakPolarHBondContact CD2-O 3.48Å; L192-N233 WeakPolarHBondContact CA-OD1 3.45Å; L192-N233 WeakPolarHBondContact CD2-OD1 3.39Å
193	K	91.5	Very high	90.5	Very high	145 Å²	145	45.7 Å²	45.7	63%	0.63	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.8	174.8	-67.7	-177.2	179.8	-179.8	0	109.1
194	M	85.3	Confident	90.6	Very high	15 Å²	15	45.9 Å²	45.9	7%	0.074	25%	0.246	C	C	.	.			trans	-92.8	-24.6	-165.8	-57.9	-87.6	-86.8	0	0	112.2	Q176 M178 F196 P198 C216 Y227	Q176-M194 PolarHBondContact O-N 3.03Å; M178-M194 HydrophobicContact CB-CG 4.47Å; M178-M194 HydrophobicContact CE-SD 4.27Å; M194-F196 HydrophobicContact CB-CD1 4.05Å; M194-F196 HydrophobicContact CB-CE1 3.8Å; M194-F196 HydrophobicContact CB-CE2 4.32Å; M194-F196 HydrophobicContact CB-CG 4.42Å; M194-F196 HydrophobicContact CB-CZ 3.95Å; M194-F196 HydrophobicContact CE-CE1 4.2Å; M194-F196 HydrophobicContact CE-CE2 3.8Å; M194-F196 HydrophobicContact CE-CZ 3.34Å; M194-F196 WeakPolarHBondContact O-CD1 3.41Å; M194-F196 WeakPolarHBondContact O-CE1 3.21Å; M194-F196 PolarHBondContact O-N 3.04Å; M194-F196 HydrophobicContact SD-CZ 4.2Å; M194-P198 HydrophobicContact CE-CB 4.47Å; M194-C216 HydrophobicContact CE-CB 3.37Å; M194-C216 WeakPolarHBondContact CE-SG 3.33Å; M194-Y227 HydrophobicContact CE-CD2 4.2Å; M194-Y227 HydrophobicContact CE-CE2 3.52Å; M194-Y227 HydrophobicContact SD-CD2 3.83Å; M194-Y227 HydrophobicContact SD-CE1 4.07Å; M194-Y227 HydrophobicContact SD-CE2 3.17Å; M194-Y227 WeakPolarHBondContact SD-CE2 3.44Å; M194-Y227 PolarHBondContact SD-OH 2.84Å
195	G	86.6	Confident	90.8	Very high	65 Å²	65	43.1 Å²	43.1	67%	0.67	23%	0.228	S	C	*	.	S	Bend	trans	72.3	3.8	-178.8	0	0	0	0	0	114.7
196	F	90.6	Very high	90.6	Very high	21 Å²	21	38.7 Å²	38.7	9%	0.092	20%	0.204	C	C	.	.	S	Bend	trans	-136.7	165.1	174.1	60.2	-97.7	0	0	0	110	Q176 M194 P198 E218 F225	Q176-F196 WeakPolarHBondContact CB-O 3.33Å; Q176-F196 WeakPolarHBondContact CG-O 3.37Å; M194-F196 HydrophobicContact CB-CD1 4.05Å; M194-F196 HydrophobicContact CB-CE1 3.8Å; M194-F196 HydrophobicContact CB-CE2 4.32Å; M194-F196 HydrophobicContact CB-CG 4.42Å; M194-F196 HydrophobicContact CB-CZ 3.95Å; M194-F196 HydrophobicContact CE-CE1 4.2Å; M194-F196 HydrophobicContact CE-CE2 3.8Å; M194-F196 HydrophobicContact CE-CZ 3.34Å; M194-F196 WeakPolarHBondContact O-CD1 3.41Å; M194-F196 WeakPolarHBondContact O-CE1 3.21Å; M194-F196 PolarHBondContact O-N 3.04Å; M194-F196 HydrophobicContact SD-CZ 4.2Å; F196-P198 HydrophobicContact CE2-CB 4.26Å; F196-P198 VanDerWaalsContact O-CD 3.23Å; F196-P198 WeakPolarHBondContact O-CD 3.38Å; F196-E218 HydrophobicContact CB-CG 4.43Å; F196-E218 HydrophobicContact CD2-CB 3.82Å; F196-E218 HydrophobicContact CD2-CG 3.97Å; F196-E218 HydrophobicContact CE2-CB 4Å; F196-E218 HydrophobicContact CG-CG 4.4Å; F196-F225 HydrophobicContact CD1-CE2 4.19Å; F196-F225 HydrophobicContact CD1-CZ 4.28Å; F196-F225 HydrophobicContact CE1-CD1 4.06Å; F196-F225 AromaticContact CE1-CD2 3.62Å; F196-F225 HydrophobicContact CE1-CD2 3.62Å; F196-F225 HydrophobicContact CE1-CE1 4.13Å; F196-F225 AromaticContact CE1-CE2 3.69Å; F196-F225 HydrophobicContact CE1-CE2 3.69Å; F196-F225 AromaticContact CE1-CG 3.82Å; F196-F225 HydrophobicContact CE1-CG 3.82Å; F196-F225 AromaticContact CE1-CZ 3.95Å; F196-F225 HydrophobicContact CE1-CZ 3.95Å; F196-F225 HydrophobicContact CE2-CD2 4.03Å; F196-F225 HydrophobicContact CE2-CE2 4.23Å; F196-F225 HydrophobicContact CZ-CB 4.17Å; F196-F225 HydrophobicContact CZ-CD1 4.43Å; F196-F225 AromaticContact CZ-CD2 3.3Å; F196-F225 HydrophobicContact CZ-CD2 3.3Å; F196-F225 AromaticContact CZ-CE2 3.7Å; F196-F225 HydrophobicContact CZ-CE2 3.7Å; F196-F225 AromaticContact CZ-CG 3.73Å; F196-F225 HydrophobicContact CZ-CG 3.73Å; F196-F225 HydrophobicContact CZ-CZ 4.42Å
197	H	91.5	Very high	90.4	Very high	82 Å²	82	39.2 Å²	39.2	38%	0.38	21%	0.212	S	C	.	.			trans	-77.5	111.1	175.4	-71.1	-83.7	0	0	0	110.4	D174 Q176 K219	D174-H197 PolarHBondContact O-ND1 3.29Å; D174-H197 IonicContact OD1-CE1 3.75Å; D174-H197 IonicContact OD1-CG 3.77Å; D174-H197 IonicContact OD1-ND1 2.85Å; D174-H197 PolarHBondContact OD1-ND1 3.17Å; Q176-H197 PolarHBondContact NE2-NE2 2.92Å; H197-K219 WeakPolarHBondContact O-CB 3.31Å; H197-K219 PolarHBondContact O-N 2.83Å
198	P	92.1	Very high	90	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	154	-174.1	36.8	-37.7	0	0	0	110.8	V172 G173 M194 F196 C216 S217	V172-P198 HydrophobicContact CG1-CB 3.3Å; V172-P198 HydrophobicContact CG1-CG 3.2Å; G173-P198 WeakPolarHBondContact O-CD 3.3Å; G173-P198 WeakPolarHBondContact O-CG 3.37Å; M194-P198 HydrophobicContact CE-CB 4.47Å; F196-P198 HydrophobicContact CE2-CB 4.26Å; F196-P198 VanDerWaalsContact O-CD 3.23Å; F196-P198 WeakPolarHBondContact O-CD 3.38Å; P198-C216 VanDerWaalsContact CB-SG 3.59Å; P198-S217 CarbonylContact C-O 3.56Å; P198-S217 WeakPolarHBondContact CA-O 3.2Å
199	G	90.8	Very high	89.7	Confident	8 Å²	8	36 Å²	36	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-114.3	175.5	0	0	0	0	0	111	S159 S217	S159-G199 WeakPolarHBondContact CB-O 3.34Å; G199-S217 PolarHBondContact N-O 2.99Å
200	Q	91.8	Very high	89.2	Confident	43 Å²	43	37.8 Å²	37.8	20%	0.201	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	140.6	-178.2	-65.4	-63.8	-32.4	0	0	111.7	S159 C216 S217 T248	S159-Q200 PolarHBondContact OG-OE1 3.02Å; Q200-C216 CarbonylContact O-C 3.56Å; Q200-C216 WeakPolarHBondContact O-CA 3.4Å; Q200-S217 PolarHBondContact N-OG 2.8Å; Q200-S217 PolarHBondContact O-N 3.2Å; Q200-T248 VanDerWaalsContact CD-O 3.29Å; Q200-T248 WeakPolarHBondContact CG-O 3.31Å; Q200-T248 PolarHBondContact NE2-O 3.36Å
201	C	93.8	Very high	89	Confident	1 Å²	1	39 Å²	39	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.3	176	69.1	0	0	0	0	111.5	S159 A161 V172 A215	S159-C201 VanDerWaalsContact CB-SG 3.58Å; S159-C201 PolarHBondContact OG-N 3.33Å; S159-C201 PolarHBondContact OG-SG 2.79Å; A161-C201 WeakPolarHBondContact CB-O 3Å; V172-C201 HydrophobicContact CB-CB 4.28Å; V172-C201 HydrophobicContact CG2-CB 3.56Å; C201-A215 CarbonylContact C-O 3.57Å; C201-A215 VanDerWaalsContact CA-O 3.31Å; C201-A215 WeakPolarHBondContact CA-O 3.34Å
202	E	94.7	Very high	88.9	Confident	14 Å²	14	36.8 Å²	36.8	7%	0.065	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	142.6	176.6	-176.4	75.2	161.9	0	0	110.8	A161 I204 A215 I250 R251	A161-E202 WeakPolarHBondContact CB-OE2 3.48Å; E202-I204 PolarHBondContact O-N 2.94Å; E202-A215 PolarHBondContact N-O 3.1Å; E202-A215 PolarHBondContact O-N 3.49Å; E202-I250 HydrophobicContact CB-CB 4.18Å; E202-I250 HydrophobicContact CB-CG2 4.04Å; E202-R251 WeakPolarHBondContact OE1-CD 3.44Å; E202-R251 IonicContact OE1-NE 3.76Å; E202-R251 IonicContact OE1-NH1 2.73Å; E202-R251 PolarHBondContact OE1-NH1 3.36Å; E202-R251 IonicContact OE2-CZ 3.75Å; E202-R251 IonicContact OE2-NH1 2.87Å; E202-R251 PolarHBondContact OE2-NH1 2.96Å
203	W	94.2	Very high	89	Confident	3 Å²	3	36.9 Å²	36.9	1%	0.011	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122	169.1	-68.2	97.5	0	0	0	110.7	A161 V162 S163 L168 C170 V180 Y205 C212 V214 L252	A161-W203 PolarHBondContact O-NE1 2.93Å; V162-W203 VanDerWaalsContact C-CD1 3.42Å; S163-W203 VanDerWaalsContact N-CD1 3.33Å; L168-W203 HydrophobicContact CB-CH2 4.07Å; L168-W203 HydrophobicContact CB-CZ2 3.71Å; L168-W203 HydrophobicContact CD1-CH2 3.88Å; L168-W203 HydrophobicContact CD1-CZ2 4.39Å; L168-W203 HydrophobicContact CD1-CZ3 4.09Å; C170-W203 HydrophobicContact CB-CZ2 3.84Å; C170-W203 PolarHBondContact SG-NE1 3.39Å; C170-W203 VanDerWaalsContact SG-NE1 3.36Å; V180-W203 HydrophobicContact CG1-CH2 3.69Å; V180-W203 HydrophobicContact CG1-CZ2 3.88Å; V180-W203 HydrophobicContact CG2-CH2 4.11Å; V180-W203 HydrophobicContact CG2-CZ2 4.31Å; W203-Y205 HydrophobicContact CB-CD1 4.12Å; W203-Y205 HydrophobicContact CB-CE1 4.1Å; W203-Y205 HydrophobicContact CD2-CD1 4.32Å; W203-Y205 AromaticContact CD2-CE1 3.86Å; W203-Y205 HydrophobicContact CD2-CE1 3.86Å; W203-Y205 AromaticContact CE3-CD1 3.63Å; W203-Y205 HydrophobicContact CE3-CD1 3.63Å; W203-Y205 AromaticContact CE3-CE1 3.4Å; W203-Y205 HydrophobicContact CE3-CE1 3.4Å; W203-Y205 HydrophobicContact CG-CE1 4.19Å; W203-Y205 HydrophobicContact CZ3-CD1 4.41Å; W203-Y205 HydrophobicContact CZ3-CE1 4.07Å; W203-C212 HydrophobicContact CZ3-CB 4Å; W203-C212 WeakPolarHBondContact CZ3-O 3.49Å; W203-V214 HydrophobicContact CD2-CB 4.34Å; W203-V214 HydrophobicContact CD2-CG2 4.46Å; W203-V214 HydrophobicContact CE3-CB 3.83Å; W203-V214 HydrophobicContact CE3-CG2 4.43Å; W203-V214 HydrophobicContact CZ3-CB 3.98Å; W203-L252 WeakPolarHBondContact O-CB 3.45Å
204	I	92.1	Very high	89.1	Confident	3 Å²	3	30 Å²	30	2%	0.015	20%	0.204	C	C	.	.			trans	-107.9	10.4	-174.8	58.3	155.4	0	0	0	113.5	E202 T213 A215 V226 I259 W271 F278	E202-I204 PolarHBondContact O-N 2.94Å; I204-T213 WeakPolarHBondContact CG1-O 3.46Å; I204-T213 WeakPolarHBondContact CG1-OG1 3.37Å; I204-T213 PolarHBondContact N-O 2.73Å; I204-A215 HydrophobicContact CD1-CB 4.2Å; I204-A215 HydrophobicContact CG1-CB 4.27Å; I204-A215 HydrophobicContact CG2-CB 3.64Å; I204-V226 HydrophobicContact CD1-CG1 3.76Å; I204-V226 HydrophobicContact CD1-CG2 4.04Å; I204-I259 HydrophobicContact CB-CD1 3.6Å; I204-I259 HydrophobicContact CB-CG1 4.1Å; I204-I259 HydrophobicContact CD1-CD1 4.22Å; I204-I259 HydrophobicContact CG2-CD1 3.7Å; I204-I259 HydrophobicContact CG2-CG1 3.89Å; I204-I259 HydrophobicContact CG2-CG2 4.13Å; I204-W271 HydrophobicContact CD1-CH2 4.22Å; I204-W271 HydrophobicContact CD1-CZ3 4.11Å; I204-W271 HydrophobicContact CG2-CH2 4.18Å; I204-F278 HydrophobicContact CD1-CE1 4.4Å
205	Y	90.6	Very high	89.5	Confident	17 Å²	17	29.2 Å²	29.2	7%	0.067	20%	0.201	C	C	.	.			trans	-98.1	156.3	177.2	81.7	-82.8	0	0	0	111.8	S163 L168 W203 C212 L252	S163-Y205 WeakPolarHBondContact CB-OH 3.43Å; S163-Y205 PolarHBondContact OG-OH 3.42Å; S163-Y205 VanDerWaalsContact OG-OH 3.12Å; L168-Y205 HydrophobicContact CD1-CE1 4.42Å; W203-Y205 HydrophobicContact CB-CD1 4.12Å; W203-Y205 HydrophobicContact CB-CE1 4.1Å; W203-Y205 HydrophobicContact CD2-CD1 4.32Å; W203-Y205 AromaticContact CD2-CE1 3.86Å; W203-Y205 HydrophobicContact CD2-CE1 3.86Å; W203-Y205 AromaticContact CE3-CD1 3.63Å; W203-Y205 HydrophobicContact CE3-CD1 3.63Å; W203-Y205 AromaticContact CE3-CE1 3.4Å; W203-Y205 HydrophobicContact CE3-CE1 3.4Å; W203-Y205 HydrophobicContact CG-CE1 4.19Å; W203-Y205 HydrophobicContact CZ3-CD1 4.41Å; W203-Y205 HydrophobicContact CZ3-CE1 4.07Å; Y205-C212 HydrophobicContact CD1-CB 4.24Å; Y205-C212 HydrophobicContact CE1-CB 4.15Å; Y205-L252 VanDerWaalsContact O-CD2 3.25Å; Y205-L252 WeakPolarHBondContact O-CD2 3.26Å
206	N	86.4	Confident	89.8	Confident	7 Å²	7	26.1 Å²	26.1	4%	0.037	17%	0.169	C	C	.	.			trans	-112.9	163.8	174	-76.2	-65.2	0	0	0	111.9	G208 D209 P254 R257	N206-G208 PolarHBondContact O-N 2.85Å; N206-D209 PolarHBondContact N-OD2 2.86Å; N206-D209 WeakPolarHBondContact O-CB 3.29Å; N206-D209 PolarHBondContact O-N 3.47Å; N206-P254 VanDerWaalsContact OD1-CA 3.26Å; N206-P254 WeakPolarHBondContact OD1-CA 3.45Å; N206-P254 PolarHBondContact OD1-O 3.04Å; N206-R257 VanDerWaalsContact ND2-CG 3.34Å; N206-R257 WeakPolarHBondContact ND2-CG 3.36Å
207	P	82	Confident	90	Very high	58 Å²	58	25.2 Å²	25.2	38%	0.377	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	130.9	179.3	-19.2	33.9	0	0	0	110	E165	E165-P207 HydrophobicContact CG-CB 4.01Å; E165-P207 HydrophobicContact CG-CG 3.66Å; E165-P207 WeakPolarHBondContact OE1-CG 3.33Å
208	G	79.8	Confident	90	Very high	65 Å²	65	23 Å²	23	67%	0.67	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	7.2	-175.3	0	0	0	0	0	115.1	N206 R275	N206-G208 PolarHBondContact O-N 2.85Å; G208-R275 PolarHBondContact O-NH2 3.37Å
209	D	84	Confident	89.8	Confident	37 Å²	37	27.1 Å²	27.1	20%	0.198	17%	0.173	C	C	.	.			trans	-71.7	142	160.6	-68.4	-13.8	0	0	0	109.7	N206 I211 R275	N206-D209 PolarHBondContact N-OD2 2.86Å; N206-D209 WeakPolarHBondContact O-CB 3.29Å; N206-D209 PolarHBondContact O-N 3.47Å; D209-I211 VanDerWaalsContact C-N 3.32Å; D209-R275 WeakPolarHBondContact OD1-CD 3.4Å; D209-R275 IonicContact OD1-CZ 3.92Å; D209-R275 IonicContact OD1-NE 3.7Å; D209-R275 PolarHBondContact OD1-NE 3.42Å; D209-R275 VanDerWaalsContact OD1-NE 3.15Å; D209-R275 IonicContact OD1-NH1 3.6Å; D209-R275 PolarHBondContact OD1-NH1 2.9Å; D209-R275 IonicContact OD1-NH2 3.18Å
210	A	81.4	Confident	89.6	Confident	107 Å²	107	30.8 Å²	30.8	88%	0.884	20%	0.195	S	C	*	.	S	Bend	trans	-72	-28.4	-177.6	0	0	0	0	0	112.9
211	I	86.7	Confident	89.3	Confident	60 Å²	60	31.4 Å²	31.4	31%	0.308	20%	0.202	S	C	.	.	S	Bend	trans	-119.4	133.1	-175.4	-59	174.2	0	0	0	108.3	D209 T213 D228 L236 L274	D209-I211 VanDerWaalsContact C-N 3.32Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 HydrophobicContact CB-CG2 4.29Å; I211-T213 HydrophobicContact CG2-CG2 3.82Å; I211-T213 PolarHBondContact O-N 3.35Å; I211-D228 HydrophobicContact CG2-CB 3.84Å; I211-D228 WeakPolarHBondContact CG2-OD1 3.29Å; I211-L236 HydrophobicContact CG2-CD1 4.41Å; I211-L274 HydrophobicContact CD1-CD2 3.94Å
212	C	90.3	Very high	88.8	Confident	20 Å²	20	31.3 Å²	31.3	14%	0.135	20%	0.201	C	C	.	.			trans	-83.5	77.8	176.8	-63.4	0	0	0	0	109	L168 W203 Y205 G229	L168-C212 HydrophobicContact CD1-CB 3.95Å; W203-C212 HydrophobicContact CZ3-CB 4Å; W203-C212 WeakPolarHBondContact CZ3-O 3.49Å; Y205-C212 HydrophobicContact CD1-CB 4.24Å; Y205-C212 HydrophobicContact CE1-CB 4.15Å; C212-G229 PolarHBondContact O-N 2.77Å
213	T	92.5	Very high	88.7	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.2	-177.2	50.7	0	0	0	0	112.3	I204 I211 V226 Y227 L236 L274	I204-T213 WeakPolarHBondContact CG1-O 3.46Å; I204-T213 WeakPolarHBondContact CG1-OG1 3.37Å; I204-T213 PolarHBondContact N-O 2.73Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 HydrophobicContact CB-CG2 4.29Å; I211-T213 HydrophobicContact CG2-CG2 3.82Å; I211-T213 PolarHBondContact O-N 3.35Å; T213-V226 HydrophobicContact CG2-CG1 4.47Å; T213-Y227 CarbonylContact C-O 3.55Å; T213-Y227 VanDerWaalsContact CA-O 3.3Å; T213-Y227 WeakPolarHBondContact CA-O 3.47Å; T213-L236 HydrophobicContact CG2-CD1 3.9Å; T213-L274 HydrophobicContact CG2-CB 4.49Å; T213-L274 HydrophobicContact CG2-CD2 4.4Å
214	V	93.3	Very high	88.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.5	176.1	59.4	0	0	0	0	109.4	M178 W203 V226 Y227	M178-V214 HydrophobicContact CE-CG1 3.42Å; M178-V214 VanDerWaalsContact CE-CG1 3.42Å; M178-V214 HydrophobicContact CE-CG2 4.28Å; M178-V214 HydrophobicContact SD-CG1 4.1Å; M178-V214 HydrophobicContact SD-CG2 3.85Å; W203-V214 HydrophobicContact CD2-CB 4.34Å; W203-V214 HydrophobicContact CD2-CG2 4.46Å; W203-V214 HydrophobicContact CE3-CB 3.83Å; W203-V214 HydrophobicContact CE3-CG2 4.43Å; W203-V214 HydrophobicContact CZ3-CB 3.98Å; V214-V226 WeakPolarHBondContact O-CA 3.31Å; V214-Y227 PolarHBondContact N-O 2.6Å; V214-Y227 PolarHBondContact O-N 3.19Å
215	A	93.6	Very high	88.8	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.8	175	0	0	0	0	0	109.4	C201 E202 I204 I224 F225 W271	C201-A215 CarbonylContact C-O 3.57Å; C201-A215 VanDerWaalsContact CA-O 3.31Å; C201-A215 WeakPolarHBondContact CA-O 3.34Å; E202-A215 PolarHBondContact N-O 3.1Å; E202-A215 PolarHBondContact O-N 3.49Å; I204-A215 HydrophobicContact CD1-CB 4.2Å; I204-A215 HydrophobicContact CG1-CB 4.27Å; I204-A215 HydrophobicContact CG2-CB 3.64Å; A215-I224 HydrophobicContact CB-CG2 4.11Å; A215-F225 WeakPolarHBondContact CA-O 3.31Å; A215-W271 HydrophobicContact CB-CH2 4.05Å
216	C	93.9	Very high	88.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.6	173.7	-175.5	0	0	0	0	109.9	M178 M194 P198 Q200 F225	M178-C216 HydrophobicContact SD-CB 4.41Å; M194-C216 HydrophobicContact CE-CB 3.37Å; M194-C216 WeakPolarHBondContact CE-SG 3.33Å; P198-C216 VanDerWaalsContact CB-SG 3.59Å; Q200-C216 CarbonylContact O-C 3.56Å; Q200-C216 WeakPolarHBondContact O-CA 3.4Å; C216-F225 PolarHBondContact N-O 2.72Å; C216-F225 PolarHBondContact O-N 3.36Å
217	S	94	Very high	89.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	154.4	175	73.5	0	0	0	0	111.8	P198 G199 Q200 K223	P198-S217 CarbonylContact C-O 3.56Å; P198-S217 WeakPolarHBondContact CA-O 3.2Å; G199-S217 PolarHBondContact N-O 2.99Å; Q200-S217 PolarHBondContact N-OG 2.8Å; Q200-S217 PolarHBondContact O-N 3.2Å; S217-K223 CarbonylContact C-O 3.51Å; S217-K223 WeakPolarHBondContact CA-O 3.09Å
218	E	92.3	Very high	89.7	Confident	36 Å²	36	33.2 Å²	33.2	17%	0.168	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.5	164	175.3	176	-152.6	0	0	109.9	F196 P220 T221 G222 K223 F225	F196-E218 HydrophobicContact CB-CG 4.43Å; F196-E218 HydrophobicContact CD2-CB 3.82Å; F196-E218 HydrophobicContact CD2-CG 3.97Å; F196-E218 HydrophobicContact CE2-CB 4Å; F196-E218 HydrophobicContact CG-CG 4.4Å; E218-P220 HydrophobicContact CG-CG 3.96Å; E218-T221 WeakPolarHBondContact CB-OG1 3.31Å; E218-T221 HydrophobicContact CG-CG2 4.5Å; E218-T221 WeakPolarHBondContact CG-OG1 3.06Å; E218-T221 WeakPolarHBondContact OE2-CG2 2.97Å; E218-T221 PolarHBondContact OE2-OG1 3.01Å; E218-G222 PolarHBondContact O-N 2.78Å; E218-G222 VanDerWaalsContact O-N 3.11Å; E218-K223 HydrophobicContact CB-CB 4.39Å; E218-K223 PolarHBondContact N-O 2.68Å; E218-F225 HydrophobicContact CB-CE2 4.01Å
219	K	87.1	Confident	90	Very high	87 Å²	87	30.1 Å²	30.1	38%	0.378	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-46.9	-172.3	-171.7	173.1	-179.1	176.2	0	114.4	E158 H197 P246	E158-K219 VanDerWaalsContact CD-NZ 3.34Å; E158-K219 IonicContact OE1-NZ 2.94Å; E158-K219 PolarHBondContact OE1-NZ 2.9Å; E158-K219 IonicContact OE2-NZ 3.03Å; H197-K219 WeakPolarHBondContact O-CB 3.31Å; H197-K219 PolarHBondContact O-N 2.83Å; K219-P246 WeakPolarHBondContact O-CB 3.48Å
220	P	86.3	Confident	90.2	Very high	85 Å²	85	35.3 Å²	35.3	55%	0.552	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-33.9	-179.1	25.4	-35.2	0	0	0	115.2	E218	E218-P220 HydrophobicContact CG-CG 3.96Å
221	T	86.5	Confident	90.4	Very high	55 Å²	55	31.4 Å²	31.4	34%	0.337	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-26	-167.9	61.6	0	0	0	0	113.7	E218 K223	E218-T221 WeakPolarHBondContact CB-OG1 3.31Å; E218-T221 HydrophobicContact CG-CG2 4.5Å; E218-T221 WeakPolarHBondContact CG-OG1 3.06Å; E218-T221 WeakPolarHBondContact OE2-CG2 2.97Å; E218-T221 PolarHBondContact OE2-OG1 3.01Å; T221-K223 VanDerWaalsContact C-N 3.3Å; T221-K223 WeakPolarHBondContact OG1-CG 3.37Å; T221-K223 PolarHBondContact OG1-N 3.38Å
222	G	84	Confident	90.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.			trans	74.9	15.4	-169.8	0	0	0	0	0	114.3	E218 L247	E218-G222 PolarHBondContact O-N 2.78Å; E218-G222 VanDerWaalsContact O-N 3.11Å; G222-L247 VanDerWaalsContact C-CD1 3.49Å; G222-L247 VanDerWaalsContact CA-CD1 3.42Å; G222-L247 WeakPolarHBondContact O-CD1 3.3Å
223	K	92.6	Very high	90.1	Very high	68 Å²	68	35 Å²	35	30%	0.296	18%	0.184	S	C	.	.			trans	-67.1	144	169.5	-68.3	-175.3	179.4	-157.7	0	110.5	S217 E218 T221 F225 D240	S217-K223 CarbonylContact C-O 3.51Å; S217-K223 WeakPolarHBondContact CA-O 3.09Å; E218-K223 HydrophobicContact CB-CB 4.39Å; E218-K223 PolarHBondContact N-O 2.68Å; T221-K223 VanDerWaalsContact C-N 3.3Å; T221-K223 WeakPolarHBondContact OG1-CG 3.37Å; T221-K223 PolarHBondContact OG1-N 3.38Å; K223-F225 HydrophobicContact CB-CD2 4.45Å; K223-F225 HydrophobicContact CB-CE2 3.75Å; K223-F225 HydrophobicContact CB-CZ 4.31Å; K223-F225 HydrophobicContact CD-CZ 4.43Å; K223-D240 VanDerWaalsContact CE-OD1 3.32Å; K223-D240 WeakPolarHBondContact CE-OD1 3.47Å; K223-D240 IonicContact NZ-OD1 2.76Å; K223-D240 PolarHBondContact NZ-OD1 3.21Å
224	I	93.9	Very high	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126	176.2	-51.7	178.2	0	0	0	109	A215 F239 L242 L247 I250 W271	A215-I224 HydrophobicContact CB-CG2 4.11Å; I224-F239 HydrophobicContact CB-CB 4.14Å; I224-F239 HydrophobicContact CB-CD2 3.89Å; I224-F239 HydrophobicContact CB-CG 4.45Å; I224-F239 HydrophobicContact CG2-CD2 4.16Å; I224-F239 PolarHBondContact N-O 3.48Å; I224-F239 PolarHBondContact O-N 3.28Å; I224-L242 HydrophobicContact CD1-CD2 3.69Å; I224-L247 HydrophobicContact CD1-CD2 3.59Å; I224-L247 HydrophobicContact CG1-CD1 4.2Å; I224-L247 HydrophobicContact CG1-CD2 3.78Å; I224-I250 HydrophobicContact CD1-CD1 4.21Å; I224-I250 HydrophobicContact CG1-CD1 4.38Å; I224-I250 HydrophobicContact CG2-CD1 4.16Å; I224-W271 HydrophobicContact CD1-CZ2 4.15Å; I224-W271 HydrophobicContact CG2-CH2 4.47Å; I224-W271 HydrophobicContact CG2-CZ2 4.46Å
225	F	93.6	Very high	89.7	Confident	30 Å²	30	44.3 Å²	44.3	13%	0.132	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.9	175.5	-63.2	-97.4	0	0	0	109	F196 A215 C216 E218 K223 Y227 P235 V238	F196-F225 HydrophobicContact CD1-CE2 4.19Å; F196-F225 HydrophobicContact CD1-CZ 4.28Å; F196-F225 HydrophobicContact CE1-CD1 4.06Å; F196-F225 AromaticContact CE1-CD2 3.62Å; F196-F225 HydrophobicContact CE1-CD2 3.62Å; F196-F225 HydrophobicContact CE1-CE1 4.13Å; F196-F225 AromaticContact CE1-CE2 3.69Å; F196-F225 HydrophobicContact CE1-CE2 3.69Å; F196-F225 AromaticContact CE1-CG 3.82Å; F196-F225 HydrophobicContact CE1-CG 3.82Å; F196-F225 AromaticContact CE1-CZ 3.95Å; F196-F225 HydrophobicContact CE1-CZ 3.95Å; F196-F225 HydrophobicContact CE2-CD2 4.03Å; F196-F225 HydrophobicContact CE2-CE2 4.23Å; F196-F225 HydrophobicContact CZ-CB 4.17Å; F196-F225 HydrophobicContact CZ-CD1 4.43Å; F196-F225 AromaticContact CZ-CD2 3.3Å; F196-F225 HydrophobicContact CZ-CD2 3.3Å; F196-F225 AromaticContact CZ-CE2 3.7Å; F196-F225 HydrophobicContact CZ-CE2 3.7Å; F196-F225 AromaticContact CZ-CG 3.73Å; F196-F225 HydrophobicContact CZ-CG 3.73Å; F196-F225 HydrophobicContact CZ-CZ 4.42Å; A215-F225 WeakPolarHBondContact CA-O 3.31Å; C216-F225 PolarHBondContact N-O 2.72Å; C216-F225 PolarHBondContact O-N 3.36Å; E218-F225 HydrophobicContact CB-CE2 4.01Å; K223-F225 HydrophobicContact CB-CD2 4.45Å; K223-F225 HydrophobicContact CB-CE2 3.75Å; K223-F225 HydrophobicContact CB-CZ 4.31Å; K223-F225 HydrophobicContact CD-CZ 4.43Å; F225-Y227 HydrophobicContact CB-CD2 4.19Å; F225-Y227 HydrophobicContact CB-CE2 3.35Å; F225-Y227 HydrophobicContact CG-CE2 4.36Å; F225-P235 HydrophobicContact CD1-CB 4.3Å; F225-P235 HydrophobicContact CD1-CG 4.43Å; F225-V238 HydrophobicContact CD1-CB 4.34Å; F225-V238 HydrophobicContact CD1-CG1 3.89Å; F225-V238 HydrophobicContact CD1-CG2 3.61Å; F225-V238 HydrophobicContact CE1-CB 4.43Å; F225-V238 HydrophobicContact CE1-CG1 3.65Å; F225-V238 HydrophobicContact CE1-CG2 3.88Å; F225-V238 HydrophobicContact CZ-CG1 4.12Å
226	V	93.7	Very high	89.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.3	177	177.3	0	0	0	0	108.6	I204 T213 V214 P235 L236 H237 F239 F278	I204-V226 HydrophobicContact CD1-CG1 3.76Å; I204-V226 HydrophobicContact CD1-CG2 4.04Å; T213-V226 HydrophobicContact CG2-CG1 4.47Å; V214-V226 WeakPolarHBondContact O-CA 3.31Å; V226-P235 CarbonylContact O-C 3.55Å; V226-P235 WeakPolarHBondContact O-CA 3.21Å; V226-L236 HydrophobicContact CG1-CB 4.49Å; V226-L236 PolarHBondContact O-N 3.47Å; V226-H237 HydrophobicContact CB-CB 4.25Å; V226-H237 PolarHBondContact N-O 3Å; V226-H237 PolarHBondContact O-N 2.93Å; V226-F239 HydrophobicContact CG2-CE2 4.01Å; V226-F278 HydrophobicContact CB-CE1 4.46Å; V226-F278 HydrophobicContact CB-CZ 4.47Å; V226-F278 HydrophobicContact CG1-CE1 4.17Å; V226-F278 HydrophobicContact CG1-CZ 4.08Å; V226-F278 HydrophobicContact CG2-CE1 3.97Å; V226-F278 HydrophobicContact CG2-CZ 4.43Å
227	Y	93.1	Very high	89.2	Confident	6 Å²	6	51.4 Å²	51.4	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	160.1	178.7	-65.4	-88.6	0	0	0	111.1	M178 M194 T213 V214 F225 N233 P235	M178-Y227 HydrophobicContact CE-CD2 4.05Å; M178-Y227 HydrophobicContact CE-CG 4.26Å; M194-Y227 HydrophobicContact CE-CD2 4.2Å; M194-Y227 HydrophobicContact CE-CE2 3.52Å; M194-Y227 HydrophobicContact SD-CD2 3.83Å; M194-Y227 HydrophobicContact SD-CE1 4.07Å; M194-Y227 HydrophobicContact SD-CE2 3.17Å; M194-Y227 WeakPolarHBondContact SD-CE2 3.44Å; M194-Y227 PolarHBondContact SD-OH 2.84Å; T213-Y227 CarbonylContact C-O 3.55Å; T213-Y227 VanDerWaalsContact CA-O 3.3Å; T213-Y227 WeakPolarHBondContact CA-O 3.47Å; V214-Y227 PolarHBondContact N-O 2.6Å; V214-Y227 PolarHBondContact O-N 3.19Å; F225-Y227 HydrophobicContact CB-CD2 4.19Å; F225-Y227 HydrophobicContact CB-CE2 3.35Å; F225-Y227 HydrophobicContact CG-CE2 4.36Å; Y227-N233 WeakPolarHBondContact CE1-O 3.42Å; Y227-P235 HydrophobicContact CD1-CB 4.24Å; Y227-P235 HydrophobicContact CE1-CB 3.78Å; Y227-P235 HydrophobicContact CE1-CG 4.36Å
228	D	91.9	Very high	89.1	Confident	37 Å²	37	53.6 Å²	53.6	20%	0.198	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.2	159.7	-178.6	1.6	0	0	0	109.1	I211 R230 G231 L236	I211-D228 HydrophobicContact CG2-CB 3.84Å; I211-D228 WeakPolarHBondContact CG2-OD1 3.29Å; D228-R230 PolarHBondContact O-N 3.5Å; D228-R230 PolarHBondContact OD1-N 2.85Å; D228-R230 VanDerWaalsContact OD1-N 3.09Å; D228-G231 PolarHBondContact O-N 3.4Å; D228-G231 VanDerWaalsContact O-N 3.1Å; D228-L236 HydrophobicContact CB-CD1 4.23Å
229	G	86.4	Confident	89	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.1	-178.6	0	0	0	0	0	114.1	N190 C212	N190-G229 WeakPolarHBondContact CB-O 3.27Å; N190-G229 PolarHBondContact ND2-O 3.14Å; C212-G229 PolarHBondContact O-N 2.77Å
230	R	87.9	Confident	88.9	Confident	146 Å²	146	53.1 Å²	53.1	55%	0.551	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-3.7	176.2	-65.3	-174.7	176.2	-174.8	-2.8	113.4	D228	D228-R230 PolarHBondContact O-N 3.5Å; D228-R230 PolarHBondContact OD1-N 2.85Å; D228-R230 VanDerWaalsContact OD1-N 3.09Å
231	G	85.9	Confident	88.8	Confident	25 Å²	25	58.4 Å²	58.4	26%	0.258	30%	0.297	S	S	.	.	S	Bend	trans	-93.6	-155.2	-171.6	0	0	0	0	0	113.8	N190 D228	N190-G231 PolarHBondContact ND2-O 3.42Å; D228-G231 PolarHBondContact O-N 3.4Å; D228-G231 VanDerWaalsContact O-N 3.1Å
232	S	84.6	Confident	88.8	Confident	76 Å²	76	57.8 Å²	57.8	53%	0.531	29%	0.291	S	S	.	.			trans	-79.5	172.4	178.8	60.2	0	0	0	0	112.6	L192 E234	L192-S232 VanDerWaalsContact CD2-O 3.3Å; L192-S232 WeakPolarHBondContact CD2-O 3.48Å; S232-E234 PolarHBondContact O-N 3.43Å
233	N	85	Confident	89	Confident	79 Å²	79	58.2 Å²	58.2	42%	0.422	29%	0.294	S	S	.	.	S	Bend	trans	-72	1	177.9	-67.3	-16	0	0	0	114.2	L192 Y227	L192-N233 WeakPolarHBondContact CA-OD1 3.45Å; L192-N233 WeakPolarHBondContact CD2-OD1 3.39Å; Y227-N233 WeakPolarHBondContact CE1-O 3.42Å
234	E	87.5	Confident	88.7	Confident	145 Å²	145	61 Å²	61	68%	0.678	32%	0.322	S	S	*	.	S	Bend	trans	-88.1	132.1	-177.4	-66.8	-178.3	172.6	0	0	110.4	S232	S232-E234 PolarHBondContact O-N 3.43Å
235	P	89.1	Confident	88.5	Confident	55 Å²	55	62 Å²	62	36%	0.357	33%	0.329	S	S	.	.			trans	-70.5	135	176.4	28.8	-32.4	0	0	0	110.2	F225 V226 Y227 V238	F225-P235 HydrophobicContact CD1-CB 4.3Å; F225-P235 HydrophobicContact CD1-CG 4.43Å; V226-P235 CarbonylContact O-C 3.55Å; V226-P235 WeakPolarHBondContact O-CA 3.21Å; Y227-P235 HydrophobicContact CD1-CB 4.24Å; Y227-P235 HydrophobicContact CE1-CB 3.78Å; Y227-P235 HydrophobicContact CE1-CG 4.36Å; P235-V238 HydrophobicContact CB-CG2 4.03Å; P235-V238 HydrophobicContact CG-CG2 3.99Å
236	L	89.6	Confident	88.4	Confident	83 Å²	83	62.3 Å²	62.3	44%	0.435	33%	0.334	S	S	.	.	S	Bend	trans	-69.8	-36.9	173.3	-62.9	176.2	0	0	0	111.8	I211 T213 V226 D228	I211-L236 HydrophobicContact CG2-CD1 4.41Å; T213-L236 HydrophobicContact CG2-CD1 3.9Å; V226-L236 HydrophobicContact CG1-CB 4.49Å; V226-L236 PolarHBondContact O-N 3.47Å; D228-L236 HydrophobicContact CB-CD1 4.23Å
237	H	89.2	Confident	88.4	Confident	66 Å²	66	63 Å²	63	31%	0.306	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	145.9	-178.9	-170	-92.8	0	0	0	110.7	V226 F239 F278	V226-H237 HydrophobicContact CB-CB 4.25Å; V226-H237 PolarHBondContact N-O 3Å; V226-H237 PolarHBondContact O-N 2.93Å; H237-F239 AromaticContact CE1-CD1 3.72Å; H237-F239 AromaticContact CE1-CE1 3.63Å; H237-F239 AromaticContact CE1-CZ 3.89Å; H237-F239 AromaticContact ND1-CD2 3.7Å; H237-F239 AromaticContact ND1-CE1 3.9Å; H237-F239 AromaticContact ND1-CE2 3.56Å; H237-F239 AromaticContact ND1-CG 3.98Å; H237-F239 AromaticContact ND1-CZ 3.7Å; H237-F278 HydrophobicContact CB-CD2 4Å; H237-F278 HydrophobicContact CB-CE2 3.55Å; H237-F278 HydrophobicContact CB-CZ 3.84Å; H237-F278 AromaticContact CD2-CD2 3.74Å; H237-F278 AromaticContact CG-CD2 3.66Å; H237-F278 AromaticContact CG-CE2 3.77Å
238	V	91.8	Very high	88.3	Confident	47 Å²	47	63.4 Å²	63.4	29%	0.285	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.6	178.4	-175.3	0	0	0	0	109.2	F225 P235	F225-V238 HydrophobicContact CD1-CB 4.34Å; F225-V238 HydrophobicContact CD1-CG1 3.89Å; F225-V238 HydrophobicContact CD1-CG2 3.61Å; F225-V238 HydrophobicContact CE1-CB 4.43Å; F225-V238 HydrophobicContact CE1-CG1 3.65Å; F225-V238 HydrophobicContact CE1-CG2 3.88Å; F225-V238 HydrophobicContact CZ-CG1 4.12Å; P235-V238 HydrophobicContact CB-CG2 4.03Å; P235-V238 HydrophobicContact CG-CG2 3.99Å
239	F	89.9	Confident	88.4	Confident	22 Å²	22	62.4 Å²	62.4	10%	0.096	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	100.3	172.8	-64.6	-85.7	0	0	0	109.8	I224 V226 H237 L242 W271 F278	I224-F239 HydrophobicContact CB-CB 4.14Å; I224-F239 HydrophobicContact CB-CD2 3.89Å; I224-F239 HydrophobicContact CB-CG 4.45Å; I224-F239 HydrophobicContact CG2-CD2 4.16Å; I224-F239 PolarHBondContact N-O 3.48Å; I224-F239 PolarHBondContact O-N 3.28Å; V226-F239 HydrophobicContact CG2-CE2 4.01Å; H237-F239 AromaticContact CE1-CD1 3.72Å; H237-F239 AromaticContact CE1-CE1 3.63Å; H237-F239 AromaticContact CE1-CZ 3.89Å; H237-F239 AromaticContact ND1-CD2 3.7Å; H237-F239 AromaticContact ND1-CE1 3.9Å; H237-F239 AromaticContact ND1-CE2 3.56Å; H237-F239 AromaticContact ND1-CG 3.98Å; H237-F239 AromaticContact ND1-CZ 3.7Å; F239-L242 HydrophobicContact CB-CB 3.99Å; F239-L242 HydrophobicContact CB-CD2 4.44Å; F239-L242 HydrophobicContact CD1-CB 4.44Å; F239-L242 HydrophobicContact CD1-CD2 4.23Å; F239-L242 HydrophobicContact CG-CD2 4.29Å; F239-W271 HydrophobicContact CE2-CD2 4.49Å; F239-W271 AromaticContact CE2-CE3 3.91Å; F239-W271 HydrophobicContact CE2-CE3 3.91Å; F239-W271 HydrophobicContact CE2-CH2 4.18Å; F239-W271 AromaticContact CE2-CZ3 3.74Å; F239-W271 HydrophobicContact CE2-CZ3 3.74Å; F239-W271 HydrophobicContact CZ-CD2 4.17Å; F239-W271 AromaticContact CZ-CE3 3.6Å; F239-W271 HydrophobicContact CZ-CE3 3.6Å; F239-W271 AromaticContact CZ-CZ3 3.91Å; F239-W271 HydrophobicContact CZ-CZ3 3.91Å; F239-F278 HydrophobicContact CE1-CB 3.94Å; F239-F278 HydrophobicContact CE2-CD1 4.07Å; F239-F278 HydrophobicContact CZ-CB 3.6Å; F239-F278 AromaticContact CZ-CD1 3.68Å; F239-F278 HydrophobicContact CZ-CD1 3.68Å; F239-F278 AromaticContact CZ-CG 3.85Å; F239-F278 HydrophobicContact CZ-CG 3.85Å
240	D	84.8	Confident	88.8	Confident	91 Å²	91	62.4 Å²	62.4	49%	0.487	33%	0.334	S	S	.	.	S	Bend	trans	-81.3	-28.5	-179.4	-74.9	-54.5	0	0	0	114.4	K223	K223-D240 VanDerWaalsContact CE-OD1 3.32Å; K223-D240 WeakPolarHBondContact CE-OD1 3.47Å; K223-D240 IonicContact NZ-OD1 2.76Å; K223-D240 PolarHBondContact NZ-OD1 3.21Å
241	K	83.4	Confident	89.1	Confident	196 Å²	196	58.9 Å²	58.9	85%	0.852	32%	0.321	S	S	*	.	S	Bend	trans	-127.2	12	-167.8	-64.2	-175	179.9	178.6	0	114.5
242	L	86.1	Confident	89.5	Confident	41 Å²	41	58.2 Å²	58.2	22%	0.215	31%	0.312	C	S	.	.	S	Bend	trans	-67.8	-48.6	-179.2	-168.2	71.9	0	0	0	110	I224 F239 E269 W271	I224-L242 HydrophobicContact CD1-CD2 3.69Å; F239-L242 HydrophobicContact CB-CB 3.99Å; F239-L242 HydrophobicContact CB-CD2 4.44Å; F239-L242 HydrophobicContact CD1-CB 4.44Å; F239-L242 HydrophobicContact CD1-CD2 4.23Å; F239-L242 HydrophobicContact CG-CD2 4.29Å; L242-E269 WeakPolarHBondContact CD1-OE2 3.44Å; L242-E269 WeakPolarHBondContact CG-OE2 2.88Å; L242-E269 VanDerWaalsContact O-CD 3.29Å; L242-W271 HydrophobicContact CD2-CG 4.4Å
243	H	88.9	Confident	89.9	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.046	29%	0.286	C	S	.	.			trans	-119.9	145.2	177	-67.6	-80.2	0	0	0	111	L247 S261 D263 E269	H243-L247 HydrophobicContact CB-CD1 3.86Å; H243-S261 WeakPolarHBondContact NE2-CB 3.45Å; H243-S261 PolarHBondContact NE2-OG 2.9Å; H243-D263 HydrophobicContact CB-CB 4.3Å; H243-D263 WeakPolarHBondContact ND1-CB 3.03Å; H243-D263 IonicContact ND1-OD2 2.78Å; H243-E269 VanDerWaalsContact CE1-CG 3.46Å; H243-E269 WeakPolarHBondContact CE1-CG 3.35Å
244	S	85.9	Confident	90	Very high	126 Å²	126	53.5 Å²	53.5	88%	0.881	28%	0.284	S	S	*	.	S	Bend	trans	-97.8	-12.8	175.8	-60	0	0	0	0	112.8
245	S	90.8	Very high	90.1	Very high	21 Å²	21	53.6 Å²	53.6	15%	0.147	28%	0.282	C	S	.	.	S	Bend	trans	-125.6	161.2	-179.2	76.2	0	0	0	0	110.8	L247 D263 K264 A265	S245-L247 PolarHBondContact O-N 2.96Å; S245-D263 WeakPolarHBondContact OG-CB 3.14Å; S245-D263 PolarHBondContact OG-OD2 3.2Å; S245-K264 PolarHBondContact OG-N 3.4Å; S245-A265 WeakPolarHBondContact OG-CB 3.14Å; S245-A265 PolarHBondContact OG-N 2.98Å
246	P	91.7	Very high	90.1	Very high	37 Å²	37	53.5 Å²	53.5	24%	0.24	28%	0.276	C	S	.	.			trans	-53.2	138.6	179.2	-29.5	36.7	0	0	0	112.6	K219 D263 K264	K219-P246 WeakPolarHBondContact O-CB 3.48Å; P246-D263 WeakPolarHBondContact O-CA 3.45Å; P246-K264 HydrophobicContact CB-CD 4.04Å; P246-K264 HydrophobicContact CB-CG 4.34Å; P246-K264 HydrophobicContact CG-CD 4.4Å; P246-K264 WeakPolarHBondContact O-CG 3.22Å; P246-K264 PolarHBondContact O-N 2.89Å
247	L	92.9	Very high	90.2	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	141.3	176.1	-89.8	81.6	0	0	0	111.6	G222 I224 H243 S245 I250 A262	G222-L247 VanDerWaalsContact C-CD1 3.49Å; G222-L247 VanDerWaalsContact CA-CD1 3.42Å; G222-L247 WeakPolarHBondContact O-CD1 3.3Å; I224-L247 HydrophobicContact CD1-CD2 3.59Å; I224-L247 HydrophobicContact CG1-CD1 4.2Å; I224-L247 HydrophobicContact CG1-CD2 3.78Å; H243-L247 HydrophobicContact CB-CD1 3.86Å; S245-L247 PolarHBondContact O-N 2.96Å; L247-I250 HydrophobicContact CD2-CD1 3.71Å; L247-I250 HydrophobicContact CD2-CG1 3.48Å; L247-I250 VanDerWaalsContact CD2-CG1 3.48Å; L247-A262 WeakPolarHBondContact CA-O 3.06Å
248	T	91.6	Very high	90.3	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.086	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-36.6	173.3	58.2	0	0	0	0	111.8	Q200 A262 K264 Y303 P304	Q200-T248 VanDerWaalsContact CD-O 3.29Å; Q200-T248 WeakPolarHBondContact CG-O 3.31Å; Q200-T248 PolarHBondContact NE2-O 3.36Å; T248-A262 PolarHBondContact N-O 2.9Å; T248-A262 PolarHBondContact OG1-O 2.88Å; T248-K264 HydrophobicContact CG2-CB 4.31Å; T248-K264 HydrophobicContact CG2-CG 3.43Å; T248-K264 VanDerWaalsContact CG2-CG 3.43Å; T248-Y303 HydrophobicContact CG2-CD2 3.59Å; T248-Y303 HydrophobicContact CG2-CE2 4.04Å; T248-Y303 HydrophobicContact CG2-CG 4.31Å; T248-P304 WeakPolarHBondContact CB-O 3.38Å; T248-P304 PolarHBondContact OG1-O 3.27Å
249	Q	92.8	Very high	90.4	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	145.5	-178.7	-169.3	61.8	41.6	0	0	112.2	R251 S261 A262 L307	Q249-R251 HydrophobicContact CG-CG 3.96Å; Q249-S261 WeakPolarHBondContact O-CA 3.46Å; Q249-A262 PolarHBondContact N-O 2.92Å; Q249-A262 PolarHBondContact O-N 3.16Å; Q249-L307 HydrophobicContact CG-CB 3.83Å
250	I	94.6	Very high	90.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.6	163.6	-55.8	174	0	0	0	107	E202 I224 L247 I259 V260 W271	E202-I250 HydrophobicContact CB-CB 4.18Å; E202-I250 HydrophobicContact CB-CG2 4.04Å; I224-I250 HydrophobicContact CD1-CD1 4.21Å; I224-I250 HydrophobicContact CG1-CD1 4.38Å; I224-I250 HydrophobicContact CG2-CD1 4.16Å; L247-I250 HydrophobicContact CD2-CD1 3.71Å; L247-I250 HydrophobicContact CD2-CG1 3.48Å; L247-I250 VanDerWaalsContact CD2-CG1 3.48Å; I250-I259 HydrophobicContact CG2-CG2 3.62Å; I250-V260 WeakPolarHBondContact CA-O 3.26Å; I250-W271 HydrophobicContact CG2-CZ2 4.16Å
251	R	94.7	Very high	91.1	Very high	72 Å²	72	44 Å²	44	27%	0.272	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.1	174.3	-75	-59.6	-172.1	172.1	-3.4	112.1	E202 Q249 I259 V260 L307 F309	E202-R251 WeakPolarHBondContact OE1-CD 3.44Å; E202-R251 IonicContact OE1-NE 3.76Å; E202-R251 IonicContact OE1-NH1 2.73Å; E202-R251 PolarHBondContact OE1-NH1 3.36Å; E202-R251 IonicContact OE2-CZ 3.75Å; E202-R251 IonicContact OE2-NH1 2.87Å; E202-R251 PolarHBondContact OE2-NH1 2.96Å; Q249-R251 HydrophobicContact CG-CG 3.96Å; R251-I259 WeakPolarHBondContact O-CA 3.39Å; R251-V260 PolarHBondContact N-O 2.81Å; R251-V260 PolarHBondContact O-N 2.88Å; R251-L307 HydrophobicContact CB-CD2 3.72Å; R251-L307 HydrophobicContact CG-CB 4.28Å; R251-L307 HydrophobicContact CG-CD2 3.95Å; R251-L307 WeakPolarHBondContact CG-O 3.27Å; R251-F309 HydrophobicContact CB-CD2 4.22Å; R251-F309 HydrophobicContact CB-CE2 3.6Å; R251-F309 HydrophobicContact CB-CZ 4.46Å
252	L	93.8	Very high	91.6	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.9	171.3	175.3	67.7	0	0	0	110.3	W203 Y205 P254 I259 F309	W203-L252 WeakPolarHBondContact O-CB 3.45Å; Y205-L252 VanDerWaalsContact O-CD2 3.25Å; Y205-L252 WeakPolarHBondContact O-CD2 3.26Å; L252-P254 WeakPolarHBondContact O-CD 3.45Å; L252-I259 HydrophobicContact CD1-CG1 3.66Å; L252-F309 VanDerWaalsContact O-CD2 3.31Å; L252-F309 WeakPolarHBondContact O-CD2 3.11Å
253	N	93.3	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	103.8	163.3	-174.3	-24.1	0	0	0	109.1	K255 F256 R257 V258 F309 G313 F330	N253-K255 VanDerWaalsContact C-N 3.29Å; N253-K255 PolarHBondContact O-N 3.43Å; N253-K255 PolarHBondContact OD1-N 3.42Å; N253-F256 PolarHBondContact O-N 3.44Å; N253-R257 WeakPolarHBondContact O-CA 3.43Å; N253-R257 PolarHBondContact O-N 2.95Å; N253-V258 WeakPolarHBondContact CB-O 3.3Å; N253-V258 PolarHBondContact N-O 3.09Å; N253-V258 PolarHBondContact O-N 2.96Å; N253-F309 HydrophobicContact CB-CD1 4.23Å; N253-F309 HydrophobicContact CB-CD2 3.9Å; N253-F309 HydrophobicContact CB-CE1 4.25Å; N253-F309 HydrophobicContact CB-CE2 3.89Å; N253-F309 HydrophobicContact CB-CG 4.06Å; N253-F309 HydrophobicContact CB-CZ 4.08Å; N253-G313 PolarHBondContact ND2-O 3.41Å; N253-G313 WeakPolarHBondContact OD1-CA 3.35Å; N253-F330 HydrophobicContact CB-CZ 4.36Å; N253-F330 WeakPolarHBondContact ND2-CE1 3.38Å
254	P	88.4	Confident	92	Very high	56 Å²	56	37.4 Å²	37.4	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-29.1	-171	-22.4	34.7	0	0	0	113.7	A164 N206 L252	A164-P254 HydrophobicContact CB-CB 4.37Å; A164-P254 HydrophobicContact CB-CG 4.14Å; N206-P254 VanDerWaalsContact OD1-CA 3.26Å; N206-P254 WeakPolarHBondContact OD1-CA 3.45Å; N206-P254 PolarHBondContact OD1-O 3.04Å; L252-P254 WeakPolarHBondContact O-CD 3.45Å
255	K	89.4	Confident	92.3	Very high	146 Å²	146	33.9 Å²	33.9	64%	0.635	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.4	-176.8	-65.8	-61.7	-175.2	-178.2	0	112.4	N253 P311	N253-K255 VanDerWaalsContact C-N 3.29Å; N253-K255 PolarHBondContact O-N 3.43Å; N253-K255 PolarHBondContact OD1-N 3.42Å; K255-P311 WeakPolarHBondContact CE-O 3.4Å; K255-P311 WeakPolarHBondContact CG-O 3.28Å
256	F	89.6	Confident	92.2	Very high	53 Å²	53	32.9 Å²	32.9	23%	0.232	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.7	179.8	-64.4	-70.4	0	0	0	113.5	N253 V258 G313 K314 F330 L331	N253-F256 PolarHBondContact O-N 3.44Å; F256-V258 HydrophobicContact CB-CG2 4Å; F256-V258 WeakPolarHBondContact O-CG2 3.39Å; F256-V258 PolarHBondContact O-N 2.77Å; F256-G313 VanDerWaalsContact CE2-O 3.31Å; F256-G313 WeakPolarHBondContact CE2-O 3.36Å; F256-K314 HydrophobicContact CE2-CG 4.32Å; F256-K314 HydrophobicContact CZ-CG 4.34Å; F256-F330 HydrophobicContact CB-CE1 3.98Å; F256-F330 AromaticContact CD2-CD1 3.74Å; F256-F330 HydrophobicContact CD2-CD1 3.74Å; F256-F330 AromaticContact CD2-CE1 3.76Å; F256-F330 HydrophobicContact CD2-CE1 3.76Å; F256-F330 HydrophobicContact CE2-CD1 4.15Å; F256-F330 HydrophobicContact CG-CD1 4.4Å; F256-F330 HydrophobicContact CG-CE1 4.03Å; F256-L331 HydrophobicContact CD1-CD2 4.2Å; F256-L331 HydrophobicContact CE1-CD2 3.86Å; F256-L331 HydrophobicContact CE2-CD2 4.25Å; F256-L331 HydrophobicContact CZ-CD1 4.13Å; F256-L331 HydrophobicContact CZ-CD2 3.89Å; F256-L331 HydrophobicContact CZ-CG 4.22Å
257	R	89.9	Confident	92.2	Very high	108 Å²	108	33.3 Å²	33.3	41%	0.408	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	37.5	-176.6	-47.3	-170	170.8	-178.3	-7	113.2	N206 N253	N206-R257 VanDerWaalsContact ND2-CG 3.34Å; N206-R257 WeakPolarHBondContact ND2-CG 3.36Å; N253-R257 WeakPolarHBondContact O-CA 3.43Å; N253-R257 PolarHBondContact O-N 2.95Å
258	V	92.2	Very high	92.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140	-179.5	179.8	0	0	0	0	108.3	N253 F256 Y270 P281 F330	N253-V258 WeakPolarHBondContact CB-O 3.3Å; N253-V258 PolarHBondContact N-O 3.09Å; N253-V258 PolarHBondContact O-N 2.96Å; F256-V258 HydrophobicContact CB-CG2 4Å; F256-V258 WeakPolarHBondContact O-CG2 3.39Å; F256-V258 PolarHBondContact O-N 2.77Å; V258-Y270 HydrophobicContact CG1-CD1 3.93Å; V258-P281 HydrophobicContact CB-CB 4.43Å; V258-P281 HydrophobicContact CG1-CB 4.08Å; V258-P281 HydrophobicContact CG1-CG 3.75Å; V258-P281 HydrophobicContact CG2-CB 3.49Å; V258-P281 VanDerWaalsContact CG2-CB 3.49Å; V258-P281 HydrophobicContact CG2-CG 4.09Å; V258-F330 HydrophobicContact CB-CE1 4.44Å; V258-F330 HydrophobicContact CB-CZ 3.75Å; V258-F330 HydrophobicContact CG1-CZ 3.8Å; V258-F330 HydrophobicContact CG2-CZ 4.27Å
259	I	94	Very high	92.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.7	178.9	-55.8	144	0	0	0	107	I204 I250 R251 L252 Y270 W271	I204-I259 HydrophobicContact CB-CD1 3.6Å; I204-I259 HydrophobicContact CB-CG1 4.1Å; I204-I259 HydrophobicContact CD1-CD1 4.22Å; I204-I259 HydrophobicContact CG2-CD1 3.7Å; I204-I259 HydrophobicContact CG2-CG1 3.89Å; I204-I259 HydrophobicContact CG2-CG2 4.13Å; I250-I259 HydrophobicContact CG2-CG2 3.62Å; R251-I259 WeakPolarHBondContact O-CA 3.39Å; L252-I259 HydrophobicContact CD1-CG1 3.66Å; I259-Y270 WeakPolarHBondContact O-CA 3.48Å; I259-W271 HydrophobicContact CB-CD2 3.95Å; I259-W271 HydrophobicContact CB-CE3 4.25Å; I259-W271 HydrophobicContact CB-CG 4.5Å; I259-W271 HydrophobicContact CB-CH2 4.25Å; I259-W271 HydrophobicContact CB-CZ2 3.94Å; I259-W271 HydrophobicContact CB-CZ3 4.39Å; I259-W271 HydrophobicContact CD1-CD2 4.22Å; I259-W271 HydrophobicContact CD1-CE3 3.64Å; I259-W271 HydrophobicContact CD1-CH2 3.73Å; I259-W271 HydrophobicContact CD1-CZ2 4.3Å; I259-W271 HydrophobicContact CD1-CZ3 3.36Å; I259-W271 HydrophobicContact CG1-CH2 4.48Å; I259-W271 HydrophobicContact CG1-CZ3 4.45Å; I259-W271 HydrophobicContact CG2-CD2 4.18Å; I259-W271 VanDerWaalsContact CG2-CE2 3.46Å; I259-W271 HydrophobicContact CG2-CH2 3.83Å; I259-W271 HydrophobicContact CG2-CZ2 3.28Å; I259-W271 HydrophobicContact CG2-CZ3 4.46Å; I259-W271 PolarHBondContact N-O 3.07Å; I259-W271 PolarHBondContact O-N 3.49Å
260	V	94.4	Very high	92.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.8	173	-179.9	0	0	0	0	108	I250 R251 L268 E269 Y270 L307 F309 M316 F330	I250-V260 WeakPolarHBondContact CA-O 3.26Å; R251-V260 PolarHBondContact N-O 2.81Å; R251-V260 PolarHBondContact O-N 2.88Å; V260-L268 HydrophobicContact CG1-CD2 4.24Å; V260-E269 VanDerWaalsContact CA-O 3.3Å; V260-E269 WeakPolarHBondContact CA-O 3.48Å; V260-Y270 HydrophobicContact CG1-CE2 4.22Å; V260-Y270 HydrophobicContact CG2-CD1 4.04Å; V260-Y270 HydrophobicContact CG2-CD2 4.18Å; V260-Y270 HydrophobicContact CG2-CE1 3.9Å; V260-Y270 HydrophobicContact CG2-CE2 4.01Å; V260-Y270 HydrophobicContact CG2-CG 4.17Å; V260-L307 HydrophobicContact CB-CD1 4.25Å; V260-L307 HydrophobicContact CG1-CD1 3.77Å; V260-F309 HydrophobicContact CB-CZ 3.92Å; V260-F309 HydrophobicContact CG2-CE1 4.18Å; V260-F309 HydrophobicContact CG2-CZ 3.65Å; V260-M316 HydrophobicContact CG1-SD 4.32Å; V260-M316 HydrophobicContact CG2-SD 4.49Å; V260-F330 HydrophobicContact CG2-CE2 3.83Å
261	S	94.5	Very high	92	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.5	169.9	46.7	0	0	0	0	110	H243 Q249 L268 E269 W271	H243-S261 WeakPolarHBondContact NE2-CB 3.45Å; H243-S261 PolarHBondContact NE2-OG 2.9Å; Q249-S261 WeakPolarHBondContact O-CA 3.46Å; S261-L268 WeakPolarHBondContact O-CA 3.42Å; S261-E269 PolarHBondContact N-O 3.36Å; S261-E269 PolarHBondContact O-N 3.43Å; S261-W271 PolarHBondContact OG-NE1 2.71Å
262	A	94	Very high	91.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.9	178.5	0	0	0	0	0	111.3	L247 T248 Q249 M267 L268 P304	L247-A262 WeakPolarHBondContact CA-O 3.06Å; T248-A262 PolarHBondContact N-O 2.9Å; T248-A262 PolarHBondContact OG1-O 2.88Å; Q249-A262 PolarHBondContact N-O 2.92Å; Q249-A262 PolarHBondContact O-N 3.16Å; A262-M267 WeakPolarHBondContact CA-O 3.48Å; A262-L268 HydrophobicContact CB-CG 4.1Å; A262-P304 HydrophobicContact CB-CG 3.36Å
263	D	92.8	Very high	91.4	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	170.1	-177.7	80.2	-4.6	0	0	0	113.5	H243 S245 P246 A265 G266 M267 Y303	H243-D263 HydrophobicContact CB-CB 4.3Å; H243-D263 WeakPolarHBondContact ND1-CB 3.03Å; H243-D263 IonicContact ND1-OD2 2.78Å; S245-D263 WeakPolarHBondContact OG-CB 3.14Å; S245-D263 PolarHBondContact OG-OD2 3.2Å; P246-D263 WeakPolarHBondContact O-CA 3.45Å; D263-A265 PolarHBondContact O-N 2.66Å; D263-A265 WeakPolarHBondContact OD1-CA 3.25Å; D263-A265 PolarHBondContact OD1-N 3.3Å; D263-A265 VanDerWaalsContact OD1-N 3.1Å; D263-G266 PolarHBondContact O-N 2.61Å; D263-G266 PolarHBondContact OD1-N 2.76Å; D263-M267 PolarHBondContact N-O 3.38Å; D263-M267 VanDerWaalsContact N-O 3.14Å; D263-M267 WeakPolarHBondContact OD1-CA 3.35Å; D263-M267 WeakPolarHBondContact OD1-CB 3.22Å; D263-M267 PolarHBondContact OD1-N 3.37Å; D263-Y303 WeakPolarHBondContact O-CB 3.07Å
264	K	91.2	Very high	90.9	Very high	103 Å²	103	33.9 Å²	33.9	45%	0.448	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.6	177.4	-74.6	-169.6	-179.3	-171.2	0	113.8	S245 P246 T248 G266 Y303	S245-K264 PolarHBondContact OG-N 3.4Å; P246-K264 HydrophobicContact CB-CD 4.04Å; P246-K264 HydrophobicContact CB-CG 4.34Å; P246-K264 HydrophobicContact CG-CD 4.4Å; P246-K264 WeakPolarHBondContact O-CG 3.22Å; P246-K264 PolarHBondContact O-N 2.89Å; T248-K264 HydrophobicContact CG2-CB 4.31Å; T248-K264 HydrophobicContact CG2-CG 3.43Å; T248-K264 VanDerWaalsContact CG2-CG 3.43Å; K264-G266 VanDerWaalsContact C-N 3.25Å; K264-Y303 WeakPolarHBondContact O-CD1 3.26Å
265	A	91.3	Very high	90.3	Very high	53 Å²	53	37.6 Å²	37.6	44%	0.438	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.5	173.1	0	0	0	0	0	112.9	S245 D263	S245-A265 WeakPolarHBondContact OG-CB 3.14Å; S245-A265 PolarHBondContact OG-N 2.98Å; D263-A265 PolarHBondContact O-N 2.66Å; D263-A265 WeakPolarHBondContact OD1-CA 3.25Å; D263-A265 PolarHBondContact OD1-N 3.3Å; D263-A265 VanDerWaalsContact OD1-N 3.1Å
266	G	90.1	Very high	89.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	86.8	21	-179.5	0	0	0	0	0	113.5	D263 K264 F297 T302	D263-G266 PolarHBondContact O-N 2.61Å; D263-G266 PolarHBondContact OD1-N 2.76Å; K264-G266 VanDerWaalsContact C-N 3.25Å; G266-F297 WeakPolarHBondContact O-CB 3.31Å; G266-T302 WeakPolarHBondContact CA-O 3.49Å
267	M	91.1	Very high	89.4	Confident	45 Å²	45	37.8 Å²	37.8	22%	0.222	18%	0.182	C	C	.	.			trans	-92.1	129.6	175.1	-64.8	-61.3	-58.3	0	0	110.4	A262 D263 Y295 A298	A262-M267 WeakPolarHBondContact CA-O 3.48Å; D263-M267 PolarHBondContact N-O 3.38Å; D263-M267 VanDerWaalsContact N-O 3.14Å; D263-M267 WeakPolarHBondContact OD1-CA 3.35Å; D263-M267 WeakPolarHBondContact OD1-CB 3.22Å; D263-M267 PolarHBondContact OD1-N 3.37Å; M267-Y295 HydrophobicContact CE-CD1 4.28Å; M267-Y295 HydrophobicContact CE-CE1 3.48Å; M267-Y295 VanDerWaalsContact CE-CE1 3.48Å; M267-Y295 HydrophobicContact SD-CD1 3.96Å; M267-Y295 HydrophobicContact SD-CE1 3.65Å; M267-A298 HydrophobicContact SD-CB 4.35Å
268	L	92.1	Very high	89.2	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.7	171.8	-76.2	77.9	0	0	0	109.9	V260 S261 A262 L294 F297 P304 M316	V260-L268 HydrophobicContact CG1-CD2 4.24Å; S261-L268 WeakPolarHBondContact O-CA 3.42Å; A262-L268 HydrophobicContact CB-CG 4.1Å; L268-L294 HydrophobicContact CD2-CD2 4.43Å; L268-F297 HydrophobicContact CD1-CD2 3.35Å; L268-F297 HydrophobicContact CD1-CE2 3.55Å; L268-F297 HydrophobicContact CD1-CG 4.33Å; L268-F297 HydrophobicContact CD2-CE2 4.19Å; L268-P304 HydrophobicContact CD1-CG 4.12Å; L268-M316 HydrophobicContact CD2-CE 3.75Å; L268-M316 HydrophobicContact CD2-SD 4.42Å
269	E	91.6	Very high	88.9	Confident	35 Å²	35	39.7 Å²	39.7	16%	0.164	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.4	-177.7	-60.4	-140.1	137	0	0	111.9	L242 H243 V260 S261 K289	L242-E269 WeakPolarHBondContact CD1-OE2 3.44Å; L242-E269 WeakPolarHBondContact CG-OE2 2.88Å; L242-E269 VanDerWaalsContact O-CD 3.29Å; H243-E269 VanDerWaalsContact CE1-CG 3.46Å; H243-E269 WeakPolarHBondContact CE1-CG 3.35Å; V260-E269 VanDerWaalsContact CA-O 3.3Å; V260-E269 WeakPolarHBondContact CA-O 3.48Å; S261-E269 PolarHBondContact N-O 3.36Å; S261-E269 PolarHBondContact O-N 3.43Å; E269-K289 IonicContact OE1-NZ 3.42Å; E269-K289 PolarHBondContact OE1-NZ 3.13Å
270	Y	92.4	Very high	88.4	Confident	10 Å²	10	43.9 Å²	43.9	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.3	-175	-75.5	-125.3	0	0	0	108.1	V258 I259 V260 F280 V284 W286 L294 F330	V258-Y270 HydrophobicContact CG1-CD1 3.93Å; I259-Y270 WeakPolarHBondContact O-CA 3.48Å; V260-Y270 HydrophobicContact CG1-CE2 4.22Å; V260-Y270 HydrophobicContact CG2-CD1 4.04Å; V260-Y270 HydrophobicContact CG2-CD2 4.18Å; V260-Y270 HydrophobicContact CG2-CE1 3.9Å; V260-Y270 HydrophobicContact CG2-CE2 4.01Å; V260-Y270 HydrophobicContact CG2-CG 4.17Å; Y270-F280 WeakPolarHBondContact O-CD2 3.16Å; Y270-V284 HydrophobicContact CD1-CG2 4.18Å; Y270-W286 HydrophobicContact CD1-CZ2 4.38Å; Y270-W286 HydrophobicContact CD2-CH2 4.38Å; Y270-W286 HydrophobicContact CD2-CZ2 4.13Å; Y270-W286 HydrophobicContact CE1-CZ2 4.44Å; Y270-W286 HydrophobicContact CE2-CZ2 4.23Å; Y270-W286 HydrophobicContact CG-CZ2 4.24Å; Y270-L294 HydrophobicContact CD2-CD1 4.42Å; Y270-L294 HydrophobicContact CE2-CD1 3.73Å; Y270-L294 HydrophobicContact CE2-CD2 4.4Å; Y270-F330 HydrophobicContact CD1-CE2 4.01Å; Y270-F330 HydrophobicContact CD1-CZ 4.09Å; Y270-F330 AromaticContact CE1-CD2 3.83Å; Y270-F330 HydrophobicContact CE1-CD2 3.83Å; Y270-F330 AromaticContact CE1-CE2 3.31Å; Y270-F330 HydrophobicContact CE1-CE2 3.31Å; Y270-F330 AromaticContact CE1-CZ 3.75Å; Y270-F330 HydrophobicContact CE1-CZ 3.75Å
271	W	92.2	Very high	88	Confident	4 Å²	4	44 Å²	44	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	170.3	-179.5	54.8	-79.3	0	0	0	109.6	I204 A215 I224 F239 L242 I250 I259 S261 F278	I204-W271 HydrophobicContact CD1-CH2 4.22Å; I204-W271 HydrophobicContact CD1-CZ3 4.11Å; I204-W271 HydrophobicContact CG2-CH2 4.18Å; A215-W271 HydrophobicContact CB-CH2 4.05Å; I224-W271 HydrophobicContact CD1-CZ2 4.15Å; I224-W271 HydrophobicContact CG2-CH2 4.47Å; I224-W271 HydrophobicContact CG2-CZ2 4.46Å; F239-W271 HydrophobicContact CE2-CD2 4.49Å; F239-W271 AromaticContact CE2-CE3 3.91Å; F239-W271 HydrophobicContact CE2-CE3 3.91Å; F239-W271 HydrophobicContact CE2-CH2 4.18Å; F239-W271 AromaticContact CE2-CZ3 3.74Å; F239-W271 HydrophobicContact CE2-CZ3 3.74Å; F239-W271 HydrophobicContact CZ-CD2 4.17Å; F239-W271 AromaticContact CZ-CE3 3.6Å; F239-W271 HydrophobicContact CZ-CE3 3.6Å; F239-W271 AromaticContact CZ-CZ3 3.91Å; F239-W271 HydrophobicContact CZ-CZ3 3.91Å; L242-W271 HydrophobicContact CD2-CG 4.4Å; I250-W271 HydrophobicContact CG2-CZ2 4.16Å; I259-W271 HydrophobicContact CB-CD2 3.95Å; I259-W271 HydrophobicContact CB-CE3 4.25Å; I259-W271 HydrophobicContact CB-CG 4.5Å; I259-W271 HydrophobicContact CB-CH2 4.25Å; I259-W271 HydrophobicContact CB-CZ2 3.94Å; I259-W271 HydrophobicContact CB-CZ3 4.39Å; I259-W271 HydrophobicContact CD1-CD2 4.22Å; I259-W271 HydrophobicContact CD1-CE3 3.64Å; I259-W271 HydrophobicContact CD1-CH2 3.73Å; I259-W271 HydrophobicContact CD1-CZ2 4.3Å; I259-W271 HydrophobicContact CD1-CZ3 3.36Å; I259-W271 HydrophobicContact CG1-CH2 4.48Å; I259-W271 HydrophobicContact CG1-CZ3 4.45Å; I259-W271 HydrophobicContact CG2-CD2 4.18Å; I259-W271 VanDerWaalsContact CG2-CE2 3.46Å; I259-W271 HydrophobicContact CG2-CH2 3.83Å; I259-W271 HydrophobicContact CG2-CZ2 3.28Å; I259-W271 HydrophobicContact CG2-CZ3 4.46Å; I259-W271 PolarHBondContact N-O 3.07Å; I259-W271 PolarHBondContact O-N 3.49Å; S261-W271 PolarHBondContact OG-NE1 2.71Å; W271-F278 HydrophobicContact CE3-CD1 4.23Å; W271-F278 HydrophobicContact CZ3-CD1 4.1Å; W271-F278 HydrophobicContact CZ3-CE1 4.44Å
272	T	90.8	Very high	87.3	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	164.9	-173.9	54.9	0	0	0	0	111.7	N276 F278 K279 P281	T272-N276 HydrophobicContact CG2-CB 4.25Å; T272-N276 VanDerWaalsContact OG1-CB 3.23Å; T272-N276 WeakPolarHBondContact OG1-CB 3.34Å; T272-F278 VanDerWaalsContact O-CA 3.31Å; T272-F278 WeakPolarHBondContact O-CA 3.32Å; T272-F278 VanDerWaalsContact O-CD1 3.3Å; T272-F278 WeakPolarHBondContact O-CD1 3.1Å; T272-K279 WeakPolarHBondContact CB-O 3.33Å; T272-K279 WeakPolarHBondContact CG2-O 3.36Å; T272-K279 PolarHBondContact N-O 3.16Å; T272-K279 PolarHBondContact OG1-N 2.92Å; T272-K279 PolarHBondContact OG1-O 3.49Å; T272-P281 HydrophobicContact CG2-CB 3.76Å
273	G	85.1	Confident	86.5	Confident	12 Å²	12	59.9 Å²	59.9	12%	0.124	28%	0.283	C	S	.	.			trans	-77.9	-170.2	176.9	0	0	0	0	0	113.8	R275 N276 E277 F278	G273-R275 VanDerWaalsContact C-N 3.3Å; G273-R275 PolarHBondContact O-N 2.81Å; G273-N276 PolarHBondContact O-N 3.43Å; G273-N276 VanDerWaalsContact O-N 3.1Å; G273-E277 PolarHBondContact O-N 3.45Å; G273-F278 PolarHBondContact O-N 3.47Å
274	L	80.9	Confident	86	Confident	73 Å²	73	60.4 Å²	60.4	38%	0.382	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-53.9	-39.9	-174.9	-171.8	68.5	0	0	0	113.9	I211 T213 N276 E277 F278	I211-L274 HydrophobicContact CD1-CD2 3.94Å; T213-L274 HydrophobicContact CG2-CB 4.49Å; T213-L274 HydrophobicContact CG2-CD2 4.4Å; L274-N276 PolarHBondContact O-N 3.06Å; L274-N276 VanDerWaalsContact O-N 3.16Å; L274-E277 PolarHBondContact O-N 2.76Å; L274-E277 VanDerWaalsContact O-N 3.07Å; L274-F278 HydrophobicContact CB-CZ 4.21Å; L274-F278 HydrophobicContact CD1-CE2 3.74Å; L274-F278 HydrophobicContact CD1-CZ 3.86Å
275	R	77	Confident	85.5	Confident	134 Å²	134	58.6 Å²	58.6	51%	0.506	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-57.9	-29.6	-179.7	-80.8	-174.6	161.4	158.1	0.4	114.1	G208 D209 G273	G208-R275 PolarHBondContact O-NH2 3.37Å; D209-R275 WeakPolarHBondContact OD1-CD 3.4Å; D209-R275 IonicContact OD1-CZ 3.92Å; D209-R275 IonicContact OD1-NE 3.7Å; D209-R275 PolarHBondContact OD1-NE 3.42Å; D209-R275 VanDerWaalsContact OD1-NE 3.15Å; D209-R275 IonicContact OD1-NH1 3.6Å; D209-R275 PolarHBondContact OD1-NH1 2.9Å; D209-R275 IonicContact OD1-NH2 3.18Å; G273-R275 VanDerWaalsContact C-N 3.3Å; G273-R275 PolarHBondContact O-N 2.81Å
276	N	78.8	Confident	85.2	Confident	78 Å²	78	57 Å²	57	42%	0.417	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-111.7	19.8	-177.8	-67.5	3.4	0	0	0	111.3	T272 G273 L274 F278 K279	T272-N276 HydrophobicContact CG2-CB 4.25Å; T272-N276 VanDerWaalsContact OG1-CB 3.23Å; T272-N276 WeakPolarHBondContact OG1-CB 3.34Å; G273-N276 PolarHBondContact O-N 3.43Å; G273-N276 VanDerWaalsContact O-N 3.1Å; L274-N276 PolarHBondContact O-N 3.06Å; L274-N276 VanDerWaalsContact O-N 3.16Å; N276-F278 PolarHBondContact O-N 3.38Å; N276-K279 PolarHBondContact O-N 3.08Å
277	E	82.1	Confident	84.6	Confident	126 Å²	126	64.2 Å²	64.2	59%	0.589	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	36.6	175.6	-57	175.4	171.9	0	0	113.8	G273 L274 K279	G273-E277 PolarHBondContact O-N 3.45Å; L274-E277 PolarHBondContact O-N 2.76Å; L274-E277 VanDerWaalsContact O-N 3.07Å; E277-K279 HydrophobicContact CB-CD 4.47Å; E277-K279 PolarHBondContact O-N 3.03Å; E277-K279 IonicContact OE2-NZ 3.83Å; E277-K279 PolarHBondContact OE2-NZ 3.47Å
278	F	84.9	Confident	84.2	Confident	24 Å²	24	69.2 Å²	69.2	11%	0.105	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	17.7	174.5	-56	-70.1	0	0	0	115.7	I204 V226 H237 F239 W271 T272 G273 L274 N276	I204-F278 HydrophobicContact CD1-CE1 4.4Å; V226-F278 HydrophobicContact CB-CE1 4.46Å; V226-F278 HydrophobicContact CB-CZ 4.47Å; V226-F278 HydrophobicContact CG1-CE1 4.17Å; V226-F278 HydrophobicContact CG1-CZ 4.08Å; V226-F278 HydrophobicContact CG2-CE1 3.97Å; V226-F278 HydrophobicContact CG2-CZ 4.43Å; H237-F278 HydrophobicContact CB-CD2 4Å; H237-F278 HydrophobicContact CB-CE2 3.55Å; H237-F278 HydrophobicContact CB-CZ 3.84Å; H237-F278 AromaticContact CD2-CD2 3.74Å; H237-F278 AromaticContact CG-CD2 3.66Å; H237-F278 AromaticContact CG-CE2 3.77Å; F239-F278 HydrophobicContact CE1-CB 3.94Å; F239-F278 HydrophobicContact CE2-CD1 4.07Å; F239-F278 HydrophobicContact CZ-CB 3.6Å; F239-F278 AromaticContact CZ-CD1 3.68Å; F239-F278 HydrophobicContact CZ-CD1 3.68Å; F239-F278 AromaticContact CZ-CG 3.85Å; F239-F278 HydrophobicContact CZ-CG 3.85Å; W271-F278 HydrophobicContact CE3-CD1 4.23Å; W271-F278 HydrophobicContact CZ3-CD1 4.1Å; W271-F278 HydrophobicContact CZ3-CE1 4.44Å; T272-F278 VanDerWaalsContact O-CA 3.31Å; T272-F278 WeakPolarHBondContact O-CA 3.32Å; T272-F278 VanDerWaalsContact O-CD1 3.3Å; T272-F278 WeakPolarHBondContact O-CD1 3.1Å; G273-F278 PolarHBondContact O-N 3.47Å; L274-F278 HydrophobicContact CB-CZ 4.21Å; L274-F278 HydrophobicContact CD1-CE2 3.74Å; L274-F278 HydrophobicContact CD1-CZ 3.86Å; N276-F278 PolarHBondContact O-N 3.38Å
279	K	84.9	Confident	83.7	Confident	125 Å²	125	71.3 Å²	71.3	54%	0.543	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-83.4	167.8	-179.5	-72.4	167.8	-179.7	161.5	0	112.4	T272 N276 E277	T272-K279 WeakPolarHBondContact CB-O 3.33Å; T272-K279 WeakPolarHBondContact CG2-O 3.36Å; T272-K279 PolarHBondContact N-O 3.16Å; T272-K279 PolarHBondContact OG1-N 2.92Å; T272-K279 PolarHBondContact OG1-O 3.49Å; N276-K279 PolarHBondContact O-N 3.08Å; E277-K279 HydrophobicContact CB-CD 4.47Å; E277-K279 PolarHBondContact O-N 3.03Å; E277-K279 IonicContact OE2-NZ 3.83Å; E277-K279 PolarHBondContact OE2-NZ 3.47Å
280	F	84.6	Confident	83.4	Confident	90 Å²	90	74.8 Å²	74.8	40%	0.395	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.2	135.7	172.3	-174.4	-94.9	0	0	0	110.9	Y270 V284 W286	Y270-F280 WeakPolarHBondContact O-CD2 3.16Å; F280-V284 HydrophobicContact CE1-CB 4.42Å; F280-V284 HydrophobicContact CZ-CB 4.39Å; F280-V284 HydrophobicContact CZ-CG1 4.32Å; F280-W286 AromaticContact CE2-CH2 3.63Å; F280-W286 HydrophobicContact CE2-CH2 3.63Å; F280-W286 HydrophobicContact CE2-CZ2 4.43Å; F280-W286 AromaticContact CE2-CZ3 3.76Å; F280-W286 HydrophobicContact CE2-CZ3 3.76Å; F280-W286 AromaticContact CZ-CE3 3.99Å; F280-W286 HydrophobicContact CZ-CE3 3.99Å; F280-W286 AromaticContact CZ-CH2 3.62Å; F280-W286 HydrophobicContact CZ-CH2 3.62Å; F280-W286 HydrophobicContact CZ-CZ2 4.19Å; F280-W286 AromaticContact CZ-CZ3 3.5Å; F280-W286 HydrophobicContact CZ-CZ3 3.5Å; F280-W286 VanDerWaalsContact CZ-CZ3 3.5Å
281	P	85.5	Confident	83	Confident	3 Å²	3	78.7 Å²	78.7	2%	0.019	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.5	132	-176.3	28.2	-38.8	0	0	0	113.6	V258 T272 H283 V284	V258-P281 HydrophobicContact CB-CB 4.43Å; V258-P281 HydrophobicContact CG1-CB 4.08Å; V258-P281 HydrophobicContact CG1-CG 3.75Å; V258-P281 HydrophobicContact CG2-CB 3.49Å; V258-P281 VanDerWaalsContact CG2-CB 3.49Å; V258-P281 HydrophobicContact CG2-CG 4.09Å; T272-P281 HydrophobicContact CG2-CB 3.76Å; P281-H283 VanDerWaalsContact C-N 3.34Å; P281-H283 PolarHBondContact O-N 3.34Å; P281-V284 HydrophobicContact CB-CG2 3.96Å; P281-V284 HydrophobicContact CG-CB 4.37Å; P281-V284 HydrophobicContact CG-CG2 3.48Å; P281-V284 VanDerWaalsContact CG-CG2 3.48Å
282	K	79.3	Confident	82.9	Confident	201 Å²	201	78.9 Å²	78.9	87%	0.874	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.9	178.3	-63	-177	179.9	-179.9	0	114.7	V284	K282-V284 VanDerWaalsContact C-N 3.3Å
283	H	78.1	Confident	82.8	Confident	131 Å²	131	82.2 Å²	82.2	61%	0.606	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.4	-174.7	-60.5	-64.9	0	0	0	113.5	P281 L331	P281-H283 VanDerWaalsContact C-N 3.34Å; P281-H283 PolarHBondContact O-N 3.34Å; H283-L331 WeakPolarHBondContact O-CD2 3.48Å
284	V	82.9	Confident	82.9	Confident	15 Å²	15	81.9 Å²	81.9	9%	0.091	40%	0.4	C	S	.	.	S	Bend	trans	-82.7	132.9	178.7	176.6	0	0	0	0	108.6	Y270 F280 P281 K282 W286	Y270-V284 HydrophobicContact CD1-CG2 4.18Å; F280-V284 HydrophobicContact CE1-CB 4.42Å; F280-V284 HydrophobicContact CZ-CB 4.39Å; F280-V284 HydrophobicContact CZ-CG1 4.32Å; P281-V284 HydrophobicContact CB-CG2 3.96Å; P281-V284 HydrophobicContact CG-CB 4.37Å; P281-V284 HydrophobicContact CG-CG2 3.48Å; P281-V284 VanDerWaalsContact CG-CG2 3.48Å; K282-V284 VanDerWaalsContact C-N 3.3Å; V284-W286 HydrophobicContact CG1-CD2 3.68Å; V284-W286 HydrophobicContact CG1-CG 3.74Å; V284-W286 HydrophobicContact CG1-CZ2 3.83Å; V284-W286 PolarHBondContact O-N 3.15Å; V284-W286 VanDerWaalsContact O-N 3.12Å
285	G	78.9	Confident	83.3	Confident	65 Å²	65	83.1 Å²	83.1	67%	0.67	40%	0.4	S	S	*	.	S	Bend	trans	-81.3	20.9	-172.3	0	0	0	0	0	114.5	L331	G285-L331 WeakPolarHBondContact CA-O 3.43Å; G285-L331 PolarHBondContact N-O 2.98Å
286	W	84.8	Confident	83.8	Confident	19 Å²	19	78.2 Å²	78.2	7%	0.072	38%	0.383	C	S	.	.			trans	-143.8	147	176.7	54.7	-93.4	0	0	0	109.4	Y270 F280 V284 K289 T292 L294 T332	Y270-W286 HydrophobicContact CD1-CZ2 4.38Å; Y270-W286 HydrophobicContact CD2-CH2 4.38Å; Y270-W286 HydrophobicContact CD2-CZ2 4.13Å; Y270-W286 HydrophobicContact CE1-CZ2 4.44Å; Y270-W286 HydrophobicContact CE2-CZ2 4.23Å; Y270-W286 HydrophobicContact CG-CZ2 4.24Å; F280-W286 AromaticContact CE2-CH2 3.63Å; F280-W286 HydrophobicContact CE2-CH2 3.63Å; F280-W286 HydrophobicContact CE2-CZ2 4.43Å; F280-W286 AromaticContact CE2-CZ3 3.76Å; F280-W286 HydrophobicContact CE2-CZ3 3.76Å; F280-W286 AromaticContact CZ-CE3 3.99Å; F280-W286 HydrophobicContact CZ-CE3 3.99Å; F280-W286 AromaticContact CZ-CH2 3.62Å; F280-W286 HydrophobicContact CZ-CH2 3.62Å; F280-W286 HydrophobicContact CZ-CZ2 4.19Å; F280-W286 AromaticContact CZ-CZ3 3.5Å; F280-W286 HydrophobicContact CZ-CZ3 3.5Å; F280-W286 VanDerWaalsContact CZ-CZ3 3.5Å; V284-W286 HydrophobicContact CG1-CD2 3.68Å; V284-W286 HydrophobicContact CG1-CG 3.74Å; V284-W286 HydrophobicContact CG1-CZ2 3.83Å; V284-W286 PolarHBondContact O-N 3.15Å; V284-W286 VanDerWaalsContact O-N 3.12Å; W286-K289 HydrophobicContact CH2-CG 4.05Å; W286-K289 HydrophobicContact CZ3-CB 4.42Å; W286-K289 HydrophobicContact CZ3-CG 3.7Å; W286-T292 HydrophobicContact CB-CG2 4Å; W286-T292 HydrophobicContact CD2-CG2 3.34Å; W286-T292 HydrophobicContact CE3-CG2 3.89Å; W286-T292 HydrophobicContact CG-CG2 3.39Å; W286-T292 HydrophobicContact CZ2-CG2 4.31Å; W286-L294 HydrophobicContact CH2-CD1 4.04Å; W286-L294 HydrophobicContact CZ2-CD1 3.61Å; W286-T332 VanDerWaalsContact CD1-O 3.32Å
287	E	79.5	Confident	84.4	Confident	153 Å²	153	74.5 Å²	74.5	72%	0.715	36%	0.363	S	S	*	.	S	Bend	trans	-105.4	-39.5	-179.1	-172.2	171.2	-171.9	0	0	111
288	Y	81.7	Confident	84.7	Confident	149 Å²	149	70.1 Å²	70.1	58%	0.584	35%	0.348	S	S	*	.	S	Bend	trans	-106.6	136	177.3	-59.8	-73.2	0	0	0	111.5	T290 D291	Y288-T290 WeakPolarHBondContact CB-OG1 3.31Å; Y288-T290 PolarHBondContact O-N 3.43Å; Y288-T290 VanDerWaalsContact O-N 3.16Å; Y288-D291 PolarHBondContact O-N 3.46Å; Y288-D291 VanDerWaalsContact O-N 3.14Å
289	K	82.1	Confident	85	Confident	48 Å²	48	77.1 Å²	77.1	21%	0.209	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-61.9	-22.4	177.2	-65.6	-174.8	-176.7	-177	0	112.5	E269 W286 D291 T292 Y295	E269-K289 IonicContact OE1-NZ 3.42Å; E269-K289 PolarHBondContact OE1-NZ 3.13Å; W286-K289 HydrophobicContact CH2-CG 4.05Å; W286-K289 HydrophobicContact CZ3-CB 4.42Å; W286-K289 HydrophobicContact CZ3-CG 3.7Å; K289-D291 PolarHBondContact O-N 3.13Å; K289-T292 PolarHBondContact O-N 3.07Å; K289-T292 PolarHBondContact O-OG1 3.02Å; K289-Y295 HydrophobicContact CB-CD2 4.44Å; K289-Y295 HydrophobicContact CB-CE2 3.49Å; K289-Y295 VanDerWaalsContact CB-CE2 3.49Å
290	T	84.8	Confident	85.3	Confident	108 Å²	108	76.1 Å²	76.1	66%	0.663	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.1	176.7	49.4	0	0	0	0	113.6	Y288 T292	Y288-T290 WeakPolarHBondContact CB-OG1 3.31Å; Y288-T290 PolarHBondContact O-N 3.43Å; Y288-T290 VanDerWaalsContact O-N 3.16Å; T290-T292 PolarHBondContact O-N 3.28Å
291	D	84	Confident	85.6	Confident	92 Å²	92	81 Å²	81	49%	0.492	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-83.1	0.2	179.7	-58.2	-25.9	0	0	0	112.5	Y288 K289 K334	Y288-D291 PolarHBondContact O-N 3.46Å; Y288-D291 VanDerWaalsContact O-N 3.14Å; K289-D291 PolarHBondContact O-N 3.13Å; D291-K334 WeakPolarHBondContact O-CE 3.37Å
292	T	89.3	Confident	85.9	Confident	8 Å²	8	81.5 Å²	81.5	5%	0.049	40%	0.4	C	S	.	.	S	Bend	trans	-116.9	162.2	-175.2	77.8	0	0	0	0	111.4	W286 K289 T290 L294 G333	W286-T292 HydrophobicContact CB-CG2 4Å; W286-T292 HydrophobicContact CD2-CG2 3.34Å; W286-T292 HydrophobicContact CE3-CG2 3.89Å; W286-T292 HydrophobicContact CG-CG2 3.39Å; W286-T292 HydrophobicContact CZ2-CG2 4.31Å; K289-T292 PolarHBondContact O-N 3.07Å; K289-T292 PolarHBondContact O-OG1 3.02Å; T290-T292 PolarHBondContact O-N 3.28Å; T292-L294 VanDerWaalsContact C-N 3.28Å; T292-L294 HydrophobicContact CG2-CD1 4.4Å; T292-L294 WeakPolarHBondContact OG1-CB 2.96Å; T292-L294 WeakPolarHBondContact OG1-CG 3.38Å; T292-L294 PolarHBondContact OG1-N 3.28Å; T292-G333 WeakPolarHBondContact CB-O 3.42Å
293	D	89.5	Confident	86.6	Confident	72 Å²	72	74.6 Å²	74.6	39%	0.385	37%	0.369	S	S	.	.	S	Bend	trans	-93.6	15.8	175.2	-57.1	-48.1	0	0	0	111.7	Y295 E296 F328 G333 K334 L335	D293-Y295 PolarHBondContact O-N 3.46Å; D293-E296 VanDerWaalsContact O-CB 3.23Å; D293-E296 WeakPolarHBondContact O-CB 3.43Å; D293-E296 PolarHBondContact O-N 3.19Å; D293-E296 VanDerWaalsContact O-N 3.09Å; D293-F328 HydrophobicContact CB-CE1 4.34Å; D293-G333 PolarHBondContact N-O 3.41Å; D293-K334 WeakPolarHBondContact OD2-CA 3.01Å; D293-L335 HydrophobicContact CB-CB 3.85Å; D293-L335 PolarHBondContact OD2-N 3.16Å
294	L	87.7	Confident	87.4	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.4	-176.9	-62.9	174.8	0	0	0	112.9	L268 Y270 W286 T292 E296 M316 F328	L268-L294 HydrophobicContact CD2-CD2 4.43Å; Y270-L294 HydrophobicContact CD2-CD1 4.42Å; Y270-L294 HydrophobicContact CE2-CD1 3.73Å; Y270-L294 HydrophobicContact CE2-CD2 4.4Å; W286-L294 HydrophobicContact CH2-CD1 4.04Å; W286-L294 HydrophobicContact CZ2-CD1 3.61Å; T292-L294 VanDerWaalsContact C-N 3.28Å; T292-L294 HydrophobicContact CG2-CD1 4.4Å; T292-L294 WeakPolarHBondContact OG1-CB 2.96Å; T292-L294 WeakPolarHBondContact OG1-CG 3.38Å; T292-L294 PolarHBondContact OG1-N 3.28Å; L294-E296 PolarHBondContact O-N 3.5Å; L294-M316 HydrophobicContact CD2-CE 4.24Å; L294-F328 HydrophobicContact CD2-CD1 4.3Å
295	Y	88.1	Confident	87.8	Confident	99 Å²	99	68.1 Å²	68.1	39%	0.388	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.2	174.6	-76	-75	0	0	0	114.2	M267 K289 D293 F297 A298 K299	M267-Y295 HydrophobicContact CE-CD1 4.28Å; M267-Y295 HydrophobicContact CE-CE1 3.48Å; M267-Y295 VanDerWaalsContact CE-CE1 3.48Å; M267-Y295 HydrophobicContact SD-CD1 3.96Å; M267-Y295 HydrophobicContact SD-CE1 3.65Å; K289-Y295 HydrophobicContact CB-CD2 4.44Å; K289-Y295 HydrophobicContact CB-CE2 3.49Å; K289-Y295 VanDerWaalsContact CB-CE2 3.49Å; D293-Y295 PolarHBondContact O-N 3.46Å; Y295-F297 PolarHBondContact O-N 3.19Å; Y295-A298 PolarHBondContact O-N 3.5Å; Y295-K299 WeakPolarHBondContact O-CB 3.49Å; Y295-K299 PolarHBondContact O-N 3.48Å
296	E	87.9	Confident	88.5	Confident	31 Å²	31	65.3 Å²	65.3	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-38.8	-179.3	-173.6	-177.2	164.2	0	0	112.3	D293 L294 K299 H300 R326 L335	D293-E296 VanDerWaalsContact O-CB 3.23Å; D293-E296 WeakPolarHBondContact O-CB 3.43Å; D293-E296 PolarHBondContact O-N 3.19Å; D293-E296 VanDerWaalsContact O-N 3.09Å; L294-E296 PolarHBondContact O-N 3.5Å; E296-K299 PolarHBondContact O-N 2.94Å; E296-H300 PolarHBondContact O-CD2 3.35Å; E296-H300 VanDerWaalsContact O-CD2 3.24Å; E296-H300 PolarHBondContact O-N 3.43Å; E296-R326 IonicContact OE1-CZ 3.34Å; E296-R326 IonicContact OE1-NE 3.28Å; E296-R326 PolarHBondContact OE1-NE 3.24Å; E296-R326 IonicContact OE1-NH2 3.53Å; E296-R326 IonicContact OE2-NE 3.18Å; E296-L335 WeakPolarHBondContact OE2-CD1 3.46Å; E296-L335 WeakPolarHBondContact OE2-CD2 3.49Å
297	F	91.6	Very high	89	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-52.8	177.8	-59	-73.3	0	0	0	111.7	G266 L268 Y295 K299 H300 K301 T302 P304 T318 A320 F328	G266-F297 WeakPolarHBondContact O-CB 3.31Å; L268-F297 HydrophobicContact CD1-CD2 3.35Å; L268-F297 HydrophobicContact CD1-CE2 3.55Å; L268-F297 HydrophobicContact CD1-CG 4.33Å; L268-F297 HydrophobicContact CD2-CE2 4.19Å; Y295-F297 PolarHBondContact O-N 3.19Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 3.2Å; F297-H300 CarbonylContact O-C 3.58Å; F297-H300 PolarHBondContact O-N 3.33Å; F297-H300 VanDerWaalsContact O-N 3.11Å; F297-K301 PolarHBondContact O-N 3.42Å; F297-T302 CarbonylContact C-O 3.6Å; F297-T302 VanDerWaalsContact C-O 3.3Å; F297-T302 WeakPolarHBondContact CB-O 3.34Å; F297-T302 PolarHBondContact O-N 3.27Å; F297-T302 VanDerWaalsContact O-O 3.12Å; F297-T302 PolarHBondContact O-OG1 2.75Å; F297-P304 HydrophobicContact CE1-CB 4.45Å; F297-P304 HydrophobicContact CZ-CB 4.47Å; F297-T318 HydrophobicContact CZ-CG2 4.36Å; F297-T318 WeakPolarHBondContact CZ-OG1 3.32Å; F297-A320 HydrophobicContact CD1-CB 4.03Å; F297-A320 HydrophobicContact CE1-CB 3.88Å; F297-F328 AromaticContact CE2-CE2 3.77Å; F297-F328 HydrophobicContact CE2-CE2 3.77Å; F297-F328 AromaticContact CE2-CZ 3.68Å; F297-F328 HydrophobicContact CE2-CZ 3.68Å; F297-F328 AromaticContact CZ-CE2 3.59Å; F297-F328 HydrophobicContact CZ-CE2 3.59Å; F297-F328 AromaticContact CZ-CZ 3.82Å; F297-F328 HydrophobicContact CZ-CZ 3.82Å
298	A	89.5	Confident	89.7	Confident	34 Å²	34	58 Å²	58	28%	0.281	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-39.4	176.2	0	0	0	0	0	112.2	M267 Y295 H300 K301	M267-A298 HydrophobicContact SD-CB 4.35Å; Y295-A298 PolarHBondContact O-N 3.5Å; A298-H300 VanDerWaalsContact C-N 3.31Å; A298-H300 PolarHBondContact O-N 3.03Å; A298-K301 PolarHBondContact O-N 3.5Å; A298-K301 VanDerWaalsContact O-N 3.1Å
299	K	90.3	Very high	90.3	Very high	171 Å²	171	52.2 Å²	52.2	74%	0.743	26%	0.255	S	S	*	.	H	α-helix	trans	-59.9	-40.1	176.2	-177.3	-177.6	179	-177.1	0	112.1	Y295 E296 F297 K301	Y295-K299 WeakPolarHBondContact O-CB 3.49Å; Y295-K299 PolarHBondContact O-N 3.48Å; E296-K299 PolarHBondContact O-N 2.94Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 3.2Å; K299-K301 VanDerWaalsContact C-N 3.33Å
300	H	90.6	Very high	90.9	Very high	104 Å²	104	50.1 Å²	50.1	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-88.1	1.6	177.8	-73.9	-68.8	0	0	0	113.8	E296 F297 A298 T302	E296-H300 PolarHBondContact O-CD2 3.35Å; E296-H300 VanDerWaalsContact O-CD2 3.24Å; E296-H300 PolarHBondContact O-N 3.43Å; F297-H300 CarbonylContact O-C 3.58Å; F297-H300 PolarHBondContact O-N 3.33Å; F297-H300 VanDerWaalsContact O-N 3.11Å; A298-H300 VanDerWaalsContact C-N 3.31Å; A298-H300 PolarHBondContact O-N 3.03Å; H300-T302 HydrophobicContact CB-CG2 4.18Å; H300-T302 PolarHBondContact O-N 2.97Å
301	K	91.6	Very high	91.1	Very high	193 Å²	193	47.7 Å²	47.7	84%	0.839	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	36.8	-173.2	-55.6	-179.5	180	-179.6	0	112.3	F297 A298 K299	F297-K301 PolarHBondContact O-N 3.42Å; A298-K301 PolarHBondContact O-N 3.5Å; A298-K301 VanDerWaalsContact O-N 3.1Å; K299-K301 VanDerWaalsContact C-N 3.33Å
302	T	92.4	Very high	91.3	Very high	13 Å²	13	46 Å²	46	8%	0.08	22%	0.224	C	C	.	.			trans	-117.1	165.9	177.7	60.8	0	0	0	0	109.2	G266 F297 H300 D322	G266-T302 WeakPolarHBondContact CA-O 3.49Å; F297-T302 CarbonylContact C-O 3.6Å; F297-T302 VanDerWaalsContact C-O 3.3Å; F297-T302 WeakPolarHBondContact CB-O 3.34Å; F297-T302 PolarHBondContact O-N 3.27Å; F297-T302 VanDerWaalsContact O-O 3.12Å; F297-T302 PolarHBondContact O-OG1 2.75Å; H300-T302 HydrophobicContact CB-CG2 4.18Å; H300-T302 PolarHBondContact O-N 2.97Å; T302-D322 HydrophobicContact CG2-CB 3.59Å
303	Y	93.2	Very high	91.3	Very high	55 Å²	55	45.7 Å²	45.7	22%	0.216	22%	0.222	C	C	.	.			trans	-138.6	149.9	177.4	56.9	-96.1	0	0	0	110.4	T248 D263 K264 I305 A320 S321	T248-Y303 HydrophobicContact CG2-CD2 3.59Å; T248-Y303 HydrophobicContact CG2-CE2 4.04Å; T248-Y303 HydrophobicContact CG2-CG 4.31Å; D263-Y303 WeakPolarHBondContact O-CB 3.07Å; K264-Y303 WeakPolarHBondContact O-CD1 3.26Å; Y303-I305 HydrophobicContact CD2-CG1 4.3Å; Y303-I305 HydrophobicContact CE2-CG1 3.97Å; Y303-I305 PolarHBondContact O-N 3.18Å; Y303-A320 CarbonylContact O-C 3.6Å; Y303-A320 WeakPolarHBondContact O-CA 3.49Å; Y303-A320 WeakPolarHBondContact O-CB 3.41Å; Y303-S321 PolarHBondContact N-OG 3.33Å; Y303-S321 PolarHBondContact O-N 3.17Å
304	P	94.1	Very high	91.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.1	175.1	31.2	-35.2	0	0	0	109.9	T248 A262 L268 F297 T318 I319	T248-P304 WeakPolarHBondContact CB-O 3.38Å; T248-P304 PolarHBondContact OG1-O 3.27Å; A262-P304 HydrophobicContact CB-CG 3.36Å; L268-P304 HydrophobicContact CD1-CG 4.12Å; F297-P304 HydrophobicContact CE1-CB 4.45Å; F297-P304 HydrophobicContact CZ-CB 4.47Å; P304-T318 HydrophobicContact CB-CG2 4.44Å; P304-I319 CarbonylContact C-O 3.53Å; P304-I319 WeakPolarHBondContact CA-O 3.09Å
305	I	93	Very high	91.8	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-43.8	174.1	-69	176.5	0	0	0	110.2	Y303 I319 V377 R378	Y303-I305 HydrophobicContact CD2-CG1 4.3Å; Y303-I305 HydrophobicContact CE2-CG1 3.97Å; Y303-I305 PolarHBondContact O-N 3.18Å; I305-I319 PolarHBondContact N-O 2.93Å; I305-V377 HydrophobicContact CD1-CB 4.14Å; I305-V377 HydrophobicContact CD1-CG1 3.5Å; I305-V377 VanDerWaalsContact CD1-CG1 3.5Å; I305-V377 WeakPolarHBondContact CG2-O 3.34Å; I305-R378 WeakPolarHBondContact CG2-O 3.26Å
306	S	93.4	Very high	92.2	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.4	-179.7	-167.8	0	0	0	0	110.7	T318 I319 T380 N381 I382	S306-T318 VanDerWaalsContact O-CA 3.23Å; S306-T318 WeakPolarHBondContact O-CA 3.41Å; S306-I319 PolarHBondContact N-O 2.85Å; S306-I319 PolarHBondContact O-N 3.11Å; S306-I319 VanDerWaalsContact O-N 3.07Å; S306-T380 WeakPolarHBondContact CB-O 3.11Å; S306-N381 WeakPolarHBondContact OG-CA 3.31Å; S306-I382 PolarHBondContact OG-N 2.86Å
307	L	94.4	Very high	92.5	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135	-179.8	-169.7	156.6	0	0	0	108.5	Q249 R251 V260 F309 M316 A317 T318	Q249-L307 HydrophobicContact CG-CB 3.83Å; R251-L307 HydrophobicContact CB-CD2 3.72Å; R251-L307 HydrophobicContact CG-CB 4.28Å; R251-L307 HydrophobicContact CG-CD2 3.95Å; R251-L307 WeakPolarHBondContact CG-O 3.27Å; V260-L307 HydrophobicContact CB-CD1 4.25Å; V260-L307 HydrophobicContact CG1-CD1 3.77Å; L307-F309 HydrophobicContact CD2-CD1 4.33Å; L307-F309 HydrophobicContact CD2-CD2 4.05Å; L307-F309 HydrophobicContact CD2-CE1 3.89Å; L307-F309 HydrophobicContact CD2-CE2 3.6Å; L307-F309 HydrophobicContact CD2-CG 4.4Å; L307-F309 HydrophobicContact CD2-CZ 3.5Å; L307-M316 HydrophobicContact CD1-CG 4.23Å; L307-M316 HydrophobicContact CD1-SD 3.76Å; L307-M316 HydrophobicContact CD2-CG 4.01Å; L307-M316 HydrophobicContact CD2-SD 4.35Å; L307-M316 HydrophobicContact CG-CG 3.99Å; L307-M316 HydrophobicContact CG-SD 4.19Å; L307-A317 WeakPolarHBondContact CA-O 3.44Å; L307-T318 HydrophobicContact CB-CG2 4.36Å; L307-T318 HydrophobicContact CD1-CG2 4.19Å; L307-T318 HydrophobicContact CG-CG2 4.02Å
308	A	94.6	Very high	92.7	Very high	15 Å²	15	42.4 Å²	42.4	12%	0.124	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146	169.9	0	0	0	0	0	110.7	A317 I382 F384	A308-A317 PolarHBondContact N-O 2.71Å; A308-A317 PolarHBondContact O-N 3.5Å; A308-I382 HydrophobicContact CB-CG2 3.96Å; A308-I382 VanDerWaalsContact CB-O 3.24Å; A308-I382 WeakPolarHBondContact CB-O 3.46Å; A308-F384 HydrophobicContact CB-CD2 4.15Å
309	F	95	Very high	92.9	Very high	28 Å²	28	41.4 Å²	41.4	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146	171.9	-63.1	-68	0	0	0	110	R251 L252 N253 V260 L307 M316 F330 F384	R251-F309 HydrophobicContact CB-CD2 4.22Å; R251-F309 HydrophobicContact CB-CE2 3.6Å; R251-F309 HydrophobicContact CB-CZ 4.46Å; L252-F309 VanDerWaalsContact O-CD2 3.31Å; L252-F309 WeakPolarHBondContact O-CD2 3.11Å; N253-F309 HydrophobicContact CB-CD1 4.23Å; N253-F309 HydrophobicContact CB-CD2 3.9Å; N253-F309 HydrophobicContact CB-CE1 4.25Å; N253-F309 HydrophobicContact CB-CE2 3.89Å; N253-F309 HydrophobicContact CB-CG 4.06Å; N253-F309 HydrophobicContact CB-CZ 4.08Å; V260-F309 HydrophobicContact CB-CZ 3.92Å; V260-F309 HydrophobicContact CG2-CE1 4.18Å; V260-F309 HydrophobicContact CG2-CZ 3.65Å; L307-F309 HydrophobicContact CD2-CD1 4.33Å; L307-F309 HydrophobicContact CD2-CD2 4.05Å; L307-F309 HydrophobicContact CD2-CE1 3.89Å; L307-F309 HydrophobicContact CD2-CE2 3.6Å; L307-F309 HydrophobicContact CD2-CG 4.4Å; L307-F309 HydrophobicContact CD2-CZ 3.5Å; F309-M316 HydrophobicContact CD1-CB 4.07Å; F309-M316 HydrophobicContact CD1-CG 4.09Å; F309-M316 HydrophobicContact CE1-CB 4.06Å; F309-M316 HydrophobicContact CE1-CG 3.77Å; F309-M316 HydrophobicContact CE1-SD 3.88Å; F309-M316 HydrophobicContact CZ-SD 4.48Å; F309-F330 HydrophobicContact CD1-CD2 4.18Å; F309-F330 AromaticContact CE1-CD2 3.63Å; F309-F330 HydrophobicContact CE1-CD2 3.63Å; F309-F330 AromaticContact CE1-CE2 3.71Å; F309-F330 HydrophobicContact CE1-CE2 3.71Å; F309-F330 HydrophobicContact CZ-CE2 4.23Å; F309-F384 VanDerWaalsContact C-CD2 3.44Å; F309-F384 WeakPolarHBondContact O-CD2 3.35Å
310	S	93.4	Very high	93.1	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.028	16%	0.16	C	C	.	.			trans	-64.1	152.3	165.5	52	0	0	0	0	110.1	D312 G313 K314 K315	S310-D312 WeakPolarHBondContact CB-OD1 3.28Å; S310-D312 PolarHBondContact O-N 3.43Å; S310-D312 VanDerWaalsContact O-N 3.14Å; S310-D312 PolarHBondContact OG-OD1 3.07Å; S310-G313 VanDerWaalsContact O-CA 3.32Å; S310-G313 WeakPolarHBondContact O-CA 3.12Å; S310-G313 PolarHBondContact O-N 3.37Å; S310-K314 PolarHBondContact OG-N 3.15Å; S310-K315 PolarHBondContact N-O 3.13Å; S310-K315 WeakPolarHBondContact OG-CB 3.39Å; S310-K315 PolarHBondContact OG-N 3.42Å; S310-K315 PolarHBondContact OG-O 3.01Å
311	P	88.8	Confident	93.1	Very high	58 Å²	58	30.2 Å²	30.2	38%	0.377	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.1	179.3	-29.1	38.6	0	0	0	114.6	K255 G313 D385 E386	K255-P311 WeakPolarHBondContact CE-O 3.4Å; K255-P311 WeakPolarHBondContact CG-O 3.28Å; P311-G313 VanDerWaalsContact C-N 3.29Å; P311-D385 WeakPolarHBondContact CD-O 2.93Å; P311-D385 WeakPolarHBondContact CG-O 3.49Å; P311-E386 WeakPolarHBondContact CG-O 3.4Å
312	D	89.1	Confident	93	Very high	57 Å²	57	22.7 Å²	22.7	31%	0.305	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-9.7	171.3	76.2	-13.6	0	0	0	113.7	S310 K314	S310-D312 WeakPolarHBondContact CB-OD1 3.28Å; S310-D312 PolarHBondContact O-N 3.43Å; S310-D312 VanDerWaalsContact O-N 3.14Å; S310-D312 PolarHBondContact OG-OD1 3.07Å; D312-K314 PolarHBondContact O-N 3.11Å; D312-K314 PolarHBondContact OD1-N 3.35Å; D312-K314 WeakPolarHBondContact OD2-CD 3.41Å
313	G	90.1	Very high	92.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	72.7	0.3	-178.9	0	0	0	0	0	115.3	N253 F256 S310 P311 F330	N253-G313 PolarHBondContact ND2-O 3.41Å; N253-G313 WeakPolarHBondContact OD1-CA 3.35Å; F256-G313 VanDerWaalsContact CE2-O 3.31Å; F256-G313 WeakPolarHBondContact CE2-O 3.36Å; S310-G313 VanDerWaalsContact O-CA 3.32Å; S310-G313 WeakPolarHBondContact O-CA 3.12Å; S310-G313 PolarHBondContact O-N 3.37Å; P311-G313 VanDerWaalsContact C-N 3.29Å; G313-F330 WeakPolarHBondContact O-CB 3.26Å; G313-F330 WeakPolarHBondContact O-CD1 3.31Å; G313-F330 WeakPolarHBondContact O-CG 3.48Å
314	K	92.7	Very high	92.9	Very high	114 Å²	114	23.8 Å²	23.8	50%	0.496	12%	0.123	S	C	.	.	S	Bend	trans	-87.4	-22.1	-171.1	-63.7	-179.5	-172	164.5	0	113.5	F256 S310 D312 F330	F256-K314 HydrophobicContact CE2-CG 4.32Å; F256-K314 HydrophobicContact CZ-CG 4.34Å; S310-K314 PolarHBondContact OG-N 3.15Å; D312-K314 PolarHBondContact O-N 3.11Å; D312-K314 PolarHBondContact OD1-N 3.35Å; D312-K314 WeakPolarHBondContact OD2-CD 3.41Å; K314-F330 WeakPolarHBondContact O-CB 3.41Å; K314-F330 PolarHBondContact O-N 2.75Å
315	K	94.8	Very high	93	Very high	25 Å²	25	23.9 Å²	23.9	11%	0.109	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.9	179	-54.2	171.8	-165.9	162	0	108.8	S310 I327 F328 M336 F384 G388 V404	S310-K315 PolarHBondContact N-O 3.13Å; S310-K315 WeakPolarHBondContact OG-CB 3.39Å; S310-K315 PolarHBondContact OG-N 3.42Å; S310-K315 PolarHBondContact OG-O 3.01Å; K315-I327 HydrophobicContact CB-CG2 4.4Å; K315-F328 WeakPolarHBondContact CA-O 3.39Å; K315-M336 HydrophobicContact CD-CE 4.39Å; K315-M336 HydrophobicContact CG-CE 4.37Å; K315-F384 HydrophobicContact CB-CE1 4.44Å; K315-F384 HydrophobicContact CB-CZ 4.07Å; K315-G388 PolarHBondContact NZ-O 3.18Å; K315-V404 HydrophobicContact CD-CG1 4.3Å
316	M	95.2	Very high	93	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.4	175	-179.7	-179.7	74.1	0	0	107.4	V260 L268 L294 L307 F309 T318 I327 F328	V260-M316 HydrophobicContact CG1-SD 4.32Å; V260-M316 HydrophobicContact CG2-SD 4.49Å; L268-M316 HydrophobicContact CD2-CE 3.75Å; L268-M316 HydrophobicContact CD2-SD 4.42Å; L294-M316 HydrophobicContact CD2-CE 4.24Å; L307-M316 HydrophobicContact CD1-CG 4.23Å; L307-M316 HydrophobicContact CD1-SD 3.76Å; L307-M316 HydrophobicContact CD2-CG 4.01Å; L307-M316 HydrophobicContact CD2-SD 4.35Å; L307-M316 HydrophobicContact CG-CG 3.99Å; L307-M316 HydrophobicContact CG-SD 4.19Å; F309-M316 HydrophobicContact CD1-CB 4.07Å; F309-M316 HydrophobicContact CD1-CG 4.09Å; F309-M316 HydrophobicContact CE1-CB 4.06Å; F309-M316 HydrophobicContact CE1-CG 3.77Å; F309-M316 HydrophobicContact CE1-SD 3.88Å; F309-M316 HydrophobicContact CZ-SD 4.48Å; M316-T318 HydrophobicContact CE-CG2 4.44Å; M316-T318 HydrophobicContact CG-CG2 4.37Å; M316-I327 CarbonylContact O-C 3.55Å; M316-I327 WeakPolarHBondContact O-CA 3.3Å; M316-F328 HydrophobicContact CB-CB 4.45Å; M316-F328 HydrophobicContact CE-CB 3.91Å; M316-F328 HydrophobicContact CE-CD2 3.78Å; M316-F328 HydrophobicContact CE-CG 3.96Å; M316-F328 PolarHBondContact N-O 2.81Å; M316-F328 PolarHBondContact O-N 3.38Å
317	A	95.7	Very high	93.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.9	175.3	0	0	0	0	0	109.7	L307 A308 R326 I327 I382 F384 V391	L307-A317 WeakPolarHBondContact CA-O 3.44Å; A308-A317 PolarHBondContact N-O 2.71Å; A308-A317 PolarHBondContact O-N 3.5Å; A317-R326 WeakPolarHBondContact CA-O 3.27Å; A317-I327 HydrophobicContact CB-CG1 4.19Å; A317-I382 HydrophobicContact CB-CD1 3.68Å; A317-I382 HydrophobicContact CB-CG1 4.17Å; A317-F384 HydrophobicContact CB-CD2 4.41Å; A317-F384 HydrophobicContact CB-CE2 3.38Å; A317-F384 HydrophobicContact CB-CZ 3.59Å; A317-V391 HydrophobicContact CB-CG2 4.41Å
318	T	95.3	Very high	93.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.8	-178.4	54.6	0	0	0	0	110.1	F297 P304 S306 L307 M316 V325 R326	F297-T318 HydrophobicContact CZ-CG2 4.36Å; F297-T318 WeakPolarHBondContact CZ-OG1 3.32Å; P304-T318 HydrophobicContact CB-CG2 4.44Å; S306-T318 VanDerWaalsContact O-CA 3.23Å; S306-T318 WeakPolarHBondContact O-CA 3.41Å; L307-T318 HydrophobicContact CB-CG2 4.36Å; L307-T318 HydrophobicContact CD1-CG2 4.19Å; L307-T318 HydrophobicContact CG-CG2 4.02Å; M316-T318 HydrophobicContact CE-CG2 4.44Å; M316-T318 HydrophobicContact CG-CG2 4.37Å; T318-V325 CarbonylContact O-C 3.56Å; T318-V325 WeakPolarHBondContact O-CA 3.03Å; T318-R326 PolarHBondContact N-O 2.92Å; T318-R326 PolarHBondContact O-N 2.73Å; T318-R326 PolarHBondContact OG1-O 2.94Å; T318-R326 VanDerWaalsContact OG1-O 3.07Å
319	I	94.1	Very high	93.1	Very high	13 Å²	13	29 Å²	29	7%	0.067	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.5	165.9	-61.3	-179.6	0	0	0	106.9	P304 I305 S306 V325 I382 Y393	P304-I319 CarbonylContact C-O 3.53Å; P304-I319 WeakPolarHBondContact CA-O 3.09Å; I305-I319 PolarHBondContact N-O 2.93Å; S306-I319 PolarHBondContact N-O 2.85Å; S306-I319 PolarHBondContact O-N 3.11Å; S306-I319 VanDerWaalsContact O-N 3.07Å; I319-V325 HydrophobicContact CG1-CG1 4.47Å; I319-V325 HydrophobicContact CG1-CG2 4.01Å; I319-I382 HydrophobicContact CD1-CB 3.71Å; I319-I382 HydrophobicContact CD1-CD1 4.16Å; I319-I382 HydrophobicContact CD1-CG1 4.37Å; I319-I382 HydrophobicContact CG1-CB 3.85Å; I319-I382 HydrophobicContact CG1-CD1 3.75Å; I319-I382 HydrophobicContact CG1-CG1 4.38Å; I319-I382 HydrophobicContact CG1-CG2 4.29Å; I319-Y393 HydrophobicContact CD1-CG 4.19Å
320	A	93.3	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	168.7	178.5	0	0	0	0	0	112.8	F297 Y303 D322 R323 K324	F297-A320 HydrophobicContact CD1-CB 4.03Å; F297-A320 HydrophobicContact CE1-CB 3.88Å; Y303-A320 CarbonylContact O-C 3.6Å; Y303-A320 WeakPolarHBondContact O-CA 3.49Å; Y303-A320 WeakPolarHBondContact O-CB 3.41Å; A320-D322 VanDerWaalsContact CB-OD1 3.22Å; A320-D322 WeakPolarHBondContact CB-OD1 2.95Å; A320-D322 PolarHBondContact O-N 3.08Å; A320-R323 WeakPolarHBondContact O-CA 3.49Å; A320-R323 PolarHBondContact O-N 3.47Å; A320-K324 PolarHBondContact N-O 2.87Å; A320-K324 VanDerWaalsContact N-O 3.16Å
321	S	91	Very high	92.9	Very high	40 Å²	40	30 Å²	30	28%	0.28	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.7	178.4	56.7	0	0	0	0	114.4	Y303 R323	Y303-S321 PolarHBondContact N-OG 3.33Å; Y303-S321 PolarHBondContact O-N 3.17Å; S321-R323 PolarHBondContact O-N 2.91Å
322	D	90.4	Very high	93	Very high	35 Å²	35	29.5 Å²	29.5	19%	0.187	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	6.7	170.9	60.5	0.1	0	0	0	114.1	T302 A320 K324 R326	T302-D322 HydrophobicContact CG2-CB 3.59Å; A320-D322 VanDerWaalsContact CB-OD1 3.22Å; A320-D322 WeakPolarHBondContact CB-OD1 2.95Å; A320-D322 PolarHBondContact O-N 3.08Å; D322-K324 HydrophobicContact CB-CG 4.39Å; D322-K324 PolarHBondContact O-N 2.87Å; D322-K324 WeakPolarHBondContact OD1-CB 3.29Å; D322-K324 PolarHBondContact OD1-N 3.01Å; D322-R326 IonicContact OD1-NH1 3.75Å; D322-R326 PolarHBondContact OD1-NH1 2.68Å; D322-R326 VanDerWaalsContact OD1-NH1 3.09Å; D322-R326 IonicContact OD2-CZ 3.33Å; D322-R326 IonicContact OD2-NH1 3.63Å; D322-R326 PolarHBondContact OD2-NH1 2.98Å; D322-R326 IonicContact OD2-NH2 3.11Å; D322-R326 PolarHBondContact OD2-NH2 3.47Å
323	R	89.9	Confident	93	Very high	30 Å²	30	26.8 Å²	26.8	11%	0.113	13%	0.126	C	C	.	.	S	Bend	trans	61.7	19.8	-176.4	-50.2	165.2	-175.4	-104.8	5.9	112.4	A320 S321 E341 E368 E372	A320-R323 WeakPolarHBondContact O-CA 3.49Å; A320-R323 PolarHBondContact O-N 3.47Å; S321-R323 PolarHBondContact O-N 2.91Å; R323-E341 VanDerWaalsContact O-CB 3.26Å; R323-E341 WeakPolarHBondContact O-CB 3.32Å; R323-E341 PolarHBondContact O-N 2.99Å; R323-E368 IonicContact CZ-OE2 2.68Å; R323-E368 IonicContact NH1-OE2 2.73Å; R323-E368 PolarHBondContact NH1-OE2 2.89Å; R323-E368 PolarHBondContact NH2-O 3.34Å; R323-E368 IonicContact NH2-OE2 3.15Å; R323-E372 IonicContact CZ-OE2 2.86Å; R323-E372 IonicContact NH2-OE2 3.59Å; R323-E372 PolarHBondContact NH2-OE2 2.76Å
324	K	93.3	Very high	93.1	Very high	61 Å²	61	32.3 Å²	32.3	27%	0.265	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.3	173.8	-57.8	-170.7	-176.3	-153.2	0	110.2	A320 D322 V338 F339 D340	A320-K324 PolarHBondContact N-O 2.87Å; A320-K324 VanDerWaalsContact N-O 3.16Å; D322-K324 HydrophobicContact CB-CG 4.39Å; D322-K324 PolarHBondContact O-N 2.87Å; D322-K324 WeakPolarHBondContact OD1-CB 3.29Å; D322-K324 PolarHBondContact OD1-N 3.01Å; K324-V338 HydrophobicContact CB-CG1 4.31Å; K324-V338 HydrophobicContact CD-CG1 4.34Å; K324-F339 CarbonylContact C-O 3.23Å; K324-F339 WeakPolarHBondContact CA-O 3.33Å; K324-D340 WeakPolarHBondContact CE-OD2 3.46Å; K324-D340 IonicContact NZ-OD2 3.78Å; K324-D340 PolarHBondContact NZ-OD2 3.5Å
325	V	94.6	Very high	93.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.7	173.2	-172.7	0	0	0	0	108.4	T318 I319 V338 F339 E341 I382 Y393	T318-V325 CarbonylContact O-C 3.56Å; T318-V325 WeakPolarHBondContact O-CA 3.03Å; I319-V325 HydrophobicContact CG1-CG1 4.47Å; I319-V325 HydrophobicContact CG1-CG2 4.01Å; V325-V338 CarbonylContact O-C 3.56Å; V325-V338 WeakPolarHBondContact O-CA 3.32Å; V325-F339 HydrophobicContact CB-CB 4.15Å; V325-F339 HydrophobicContact CB-CD2 4.2Å; V325-F339 HydrophobicContact CG1-CD2 4.36Å; V325-F339 PolarHBondContact N-O 2.8Å; V325-F339 PolarHBondContact O-N 2.82Å; V325-E341 HydrophobicContact CG2-CG 4.47Å; V325-I382 HydrophobicContact CG1-CD1 3.39Å; V325-Y393 HydrophobicContact CB-CE1 4.28Å; V325-Y393 HydrophobicContact CG1-CD1 4.45Å; V325-Y393 HydrophobicContact CG1-CE1 4.17Å; V325-Y393 HydrophobicContact CG2-CD1 4.11Å; V325-Y393 HydrophobicContact CG2-CD2 4.17Å; V325-Y393 HydrophobicContact CG2-CE1 3.73Å; V325-Y393 HydrophobicContact CG2-CE2 3.82Å; V325-Y393 HydrophobicContact CG2-CG 4.3Å
326	R	94.4	Very high	93	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.3	178.8	-63.1	-179	177.5	78.6	-3.2	109.4	E296 A317 T318 D322 F328 L335 R337 V338	E296-R326 IonicContact OE1-CZ 3.34Å; E296-R326 IonicContact OE1-NE 3.28Å; E296-R326 PolarHBondContact OE1-NE 3.24Å; E296-R326 IonicContact OE1-NH2 3.53Å; E296-R326 IonicContact OE2-NE 3.18Å; A317-R326 WeakPolarHBondContact CA-O 3.27Å; T318-R326 PolarHBondContact N-O 2.92Å; T318-R326 PolarHBondContact O-N 2.73Å; T318-R326 PolarHBondContact OG1-O 2.94Å; T318-R326 VanDerWaalsContact OG1-O 3.07Å; D322-R326 IonicContact OD1-NH1 3.75Å; D322-R326 PolarHBondContact OD1-NH1 2.68Å; D322-R326 VanDerWaalsContact OD1-NH1 3.09Å; D322-R326 IonicContact OD2-CZ 3.33Å; D322-R326 IonicContact OD2-NH1 3.63Å; D322-R326 PolarHBondContact OD2-NH1 2.98Å; D322-R326 IonicContact OD2-NH2 3.11Å; D322-R326 PolarHBondContact OD2-NH2 3.47Å; R326-F328 HydrophobicContact CB-CD2 4.36Å; R326-F328 HydrophobicContact CB-CE2 3.53Å; R326-F328 HydrophobicContact CB-CZ 4.02Å; R326-L335 HydrophobicContact CB-CD1 3.88Å; R326-L335 HydrophobicContact CG-CD1 4.26Å; R326-R337 WeakPolarHBondContact CA-O 3.43Å; R326-V338 HydrophobicContact CG-CG1 4.26Å; R326-V338 HydrophobicContact CG-CG2 4.23Å
327	I	94.9	Very high	92.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.7	175.1	-56.9	-177.6	0	0	0	108.1	K315 M316 A317 M336 R337 F339 V391 V404	K315-I327 HydrophobicContact CB-CG2 4.4Å; M316-I327 CarbonylContact O-C 3.55Å; M316-I327 WeakPolarHBondContact O-CA 3.3Å; A317-I327 HydrophobicContact CB-CG1 4.19Å; I327-M336 HydrophobicContact CG2-CE 4.02Å; I327-M336 WeakPolarHBondContact O-CA 3.5Å; I327-M336 VanDerWaalsContact O-CB 3.31Å; I327-M336 WeakPolarHBondContact O-CB 3.49Å; I327-M336 PolarHBondContact O-N 3.11Å; I327-R337 HydrophobicContact CB-CB 4.38Å; I327-R337 PolarHBondContact N-O 2.83Å; I327-R337 PolarHBondContact O-N 2.98Å; I327-F339 HydrophobicContact CD1-CE2 3.78Å; I327-F339 HydrophobicContact CG1-CE2 4.33Å; I327-V391 HydrophobicContact CD1-CG2 4.1Å; I327-V404 HydrophobicContact CD1-CB 4.29Å; I327-V404 HydrophobicContact CD1-CG1 3.74Å; I327-V404 HydrophobicContact CD1-CG2 3.65Å; I327-V404 HydrophobicContact CG2-CG1 4.35Å
328	F	94.8	Very high	92.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	150.9	177.9	-62.4	-93.9	0	0	0	110.5	D293 L294 F297 K315 M316 R326 F330 K334 L335	D293-F328 HydrophobicContact CB-CE1 4.34Å; L294-F328 HydrophobicContact CD2-CD1 4.3Å; F297-F328 AromaticContact CE2-CE2 3.77Å; F297-F328 HydrophobicContact CE2-CE2 3.77Å; F297-F328 AromaticContact CE2-CZ 3.68Å; F297-F328 HydrophobicContact CE2-CZ 3.68Å; F297-F328 AromaticContact CZ-CE2 3.59Å; F297-F328 HydrophobicContact CZ-CE2 3.59Å; F297-F328 AromaticContact CZ-CZ 3.82Å; F297-F328 HydrophobicContact CZ-CZ 3.82Å; K315-F328 WeakPolarHBondContact CA-O 3.39Å; M316-F328 HydrophobicContact CB-CB 4.45Å; M316-F328 HydrophobicContact CE-CB 3.91Å; M316-F328 HydrophobicContact CE-CD2 3.78Å; M316-F328 HydrophobicContact CE-CG 3.96Å; M316-F328 PolarHBondContact N-O 2.81Å; M316-F328 PolarHBondContact O-N 3.38Å; R326-F328 HydrophobicContact CB-CD2 4.36Å; R326-F328 HydrophobicContact CB-CE2 3.53Å; R326-F328 HydrophobicContact CB-CZ 4.02Å; F328-F330 PolarHBondContact O-N 3.12Å; F328-K334 WeakPolarHBondContact CA-O 3.42Å; F328-L335 HydrophobicContact CD1-CB 4.22Å; F328-L335 HydrophobicContact CD1-CD1 4.17Å; F328-L335 HydrophobicContact CE1-CB 4.02Å; F328-L335 HydrophobicContact CE1-CD1 3.73Å; F328-L335 HydrophobicContact CE1-CG 4.49Å; F328-L335 HydrophobicContact CE2-CD1 4.18Å; F328-L335 HydrophobicContact CZ-CD1 3.73Å
329	R	94.1	Very high	92.6	Very high	137 Å²	137	39.5 Å²	39.5	52%	0.517	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.4	162.5	-176.7	177.9	-62.8	-115.5	-0.5	107.8	L331 T332 G333 K334 M336	R329-L331 PolarHBondContact O-N 3.41Å; R329-T332 WeakPolarHBondContact CB-OG1 3.08Å; R329-T332 WeakPolarHBondContact CD-OG1 3.29Å; R329-T332 HydrophobicContact CG-CG2 4.38Å; R329-T332 PolarHBondContact O-N 2.8Å; R329-G333 WeakPolarHBondContact O-CA 3.26Å; R329-G333 PolarHBondContact O-N 3.12Å; R329-K334 PolarHBondContact N-O 3.29Å; R329-M336 HydrophobicContact CB-CG 4Å; R329-M336 HydrophobicContact CB-SD 3.8Å
330	F	93.1	Very high	92.5	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-49.5	-173.4	178.4	-102.9	0	0	0	112.7	N253 F256 V258 V260 Y270 F309 G313 K314 F328 T332	N253-F330 HydrophobicContact CB-CZ 4.36Å; N253-F330 WeakPolarHBondContact ND2-CE1 3.38Å; F256-F330 HydrophobicContact CB-CE1 3.98Å; F256-F330 AromaticContact CD2-CD1 3.74Å; F256-F330 HydrophobicContact CD2-CD1 3.74Å; F256-F330 AromaticContact CD2-CE1 3.76Å; F256-F330 HydrophobicContact CD2-CE1 3.76Å; F256-F330 HydrophobicContact CE2-CD1 4.15Å; F256-F330 HydrophobicContact CG-CD1 4.4Å; F256-F330 HydrophobicContact CG-CE1 4.03Å; V258-F330 HydrophobicContact CB-CE1 4.44Å; V258-F330 HydrophobicContact CB-CZ 3.75Å; V258-F330 HydrophobicContact CG1-CZ 3.8Å; V258-F330 HydrophobicContact CG2-CZ 4.27Å; V260-F330 HydrophobicContact CG2-CE2 3.83Å; Y270-F330 HydrophobicContact CD1-CE2 4.01Å; Y270-F330 HydrophobicContact CD1-CZ 4.09Å; Y270-F330 AromaticContact CE1-CD2 3.83Å; Y270-F330 HydrophobicContact CE1-CD2 3.83Å; Y270-F330 AromaticContact CE1-CE2 3.31Å; Y270-F330 HydrophobicContact CE1-CE2 3.31Å; Y270-F330 AromaticContact CE1-CZ 3.75Å; Y270-F330 HydrophobicContact CE1-CZ 3.75Å; F309-F330 HydrophobicContact CD1-CD2 4.18Å; F309-F330 AromaticContact CE1-CD2 3.63Å; F309-F330 HydrophobicContact CE1-CD2 3.63Å; F309-F330 AromaticContact CE1-CE2 3.71Å; F309-F330 HydrophobicContact CE1-CE2 3.71Å; F309-F330 HydrophobicContact CZ-CE2 4.23Å; G313-F330 WeakPolarHBondContact O-CB 3.26Å; G313-F330 WeakPolarHBondContact O-CD1 3.31Å; G313-F330 WeakPolarHBondContact O-CG 3.48Å; K314-F330 WeakPolarHBondContact O-CB 3.41Å; K314-F330 PolarHBondContact O-N 2.75Å; F328-F330 PolarHBondContact O-N 3.12Å; F330-T332 VanDerWaalsContact C-N 3.34Å; F330-T332 PolarHBondContact O-N 2.96Å
331	L	91.8	Very high	92.4	Very high	54 Å²	54	42.1 Å²	42.1	28%	0.283	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-32.7	-176.1	-66.1	175.8	0	0	0	113.8	F256 H283 G285 R329	F256-L331 HydrophobicContact CD1-CD2 4.2Å; F256-L331 HydrophobicContact CE1-CD2 3.86Å; F256-L331 HydrophobicContact CE2-CD2 4.25Å; F256-L331 HydrophobicContact CZ-CD1 4.13Å; F256-L331 HydrophobicContact CZ-CD2 3.89Å; F256-L331 HydrophobicContact CZ-CG 4.22Å; H283-L331 WeakPolarHBondContact O-CD2 3.48Å; G285-L331 WeakPolarHBondContact CA-O 3.43Å; G285-L331 PolarHBondContact N-O 2.98Å; R329-L331 PolarHBondContact O-N 3.41Å
332	T	91.1	Very high	92.4	Very high	47 Å²	47	41 Å²	41	29%	0.288	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-10	-177.1	66.6	0	0	0	0	112.9	W286 R329 F330 K334	W286-T332 VanDerWaalsContact CD1-O 3.32Å; R329-T332 WeakPolarHBondContact CB-OG1 3.08Å; R329-T332 WeakPolarHBondContact CD-OG1 3.29Å; R329-T332 HydrophobicContact CG-CG2 4.38Å; R329-T332 PolarHBondContact O-N 2.8Å; F330-T332 VanDerWaalsContact C-N 3.34Å; F330-T332 PolarHBondContact O-N 2.96Å; T332-K334 PolarHBondContact O-N 2.86Å; T332-K334 VanDerWaalsContact O-N 3.09Å; T332-K334 PolarHBondContact OG1-N 2.64Å
333	G	88.5	Confident	92.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	14	-173.5	0	0	0	0	0	114.2	T292 D293 R329	T292-G333 WeakPolarHBondContact CB-O 3.42Å; D293-G333 PolarHBondContact N-O 3.41Å; R329-G333 WeakPolarHBondContact O-CA 3.26Å; R329-G333 PolarHBondContact O-N 3.12Å
334	K	92.5	Very high	92.5	Very high	115 Å²	115	43.8 Å²	43.8	50%	0.5	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.4	-176.1	-66.5	-167	176.2	-171.8	0	111.1	D291 D293 F328 R329 T332 M336	D291-K334 WeakPolarHBondContact O-CE 3.37Å; D293-K334 WeakPolarHBondContact OD2-CA 3.01Å; F328-K334 WeakPolarHBondContact CA-O 3.42Å; R329-K334 PolarHBondContact N-O 3.29Å; T332-K334 PolarHBondContact O-N 2.86Å; T332-K334 VanDerWaalsContact O-N 3.09Å; T332-K334 PolarHBondContact OG1-N 2.64Å; K334-M336 PolarHBondContact O-N 2.99Å
335	L	93.5	Very high	92.4	Very high	53 Å²	53	43.5 Å²	43.5	28%	0.277	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.2	177	-176.8	71.8	0	0	0	109.3	D293 E296 R326 F328 V338	D293-L335 HydrophobicContact CB-CB 3.85Å; D293-L335 PolarHBondContact OD2-N 3.16Å; E296-L335 WeakPolarHBondContact OE2-CD1 3.46Å; E296-L335 WeakPolarHBondContact OE2-CD2 3.49Å; R326-L335 HydrophobicContact CB-CD1 3.88Å; R326-L335 HydrophobicContact CG-CD1 4.26Å; F328-L335 HydrophobicContact CD1-CB 4.22Å; F328-L335 HydrophobicContact CD1-CD1 4.17Å; F328-L335 HydrophobicContact CE1-CB 4.02Å; F328-L335 HydrophobicContact CE1-CD1 3.73Å; F328-L335 HydrophobicContact CE1-CG 4.49Å; F328-L335 HydrophobicContact CE2-CD1 4.18Å; F328-L335 HydrophobicContact CZ-CD1 3.73Å; L335-V338 HydrophobicContact CD1-CG2 3.93Å; L335-V338 HydrophobicContact CD2-CG2 3.49Å; L335-V338 VanDerWaalsContact CD2-CG2 3.49Å; L335-V338 HydrophobicContact CG-CG2 4.06Å
336	M	91.9	Very high	92.3	Very high	57 Å²	57	43.7 Å²	43.7	28%	0.281	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-48	176.3	-67.3	-176.6	13.7	0	0	111.8	K315 I327 R329 K334 V404	K315-M336 HydrophobicContact CD-CE 4.39Å; K315-M336 HydrophobicContact CG-CE 4.37Å; I327-M336 HydrophobicContact CG2-CE 4.02Å; I327-M336 WeakPolarHBondContact O-CA 3.5Å; I327-M336 VanDerWaalsContact O-CB 3.31Å; I327-M336 WeakPolarHBondContact O-CB 3.49Å; I327-M336 PolarHBondContact O-N 3.11Å; R329-M336 HydrophobicContact CB-CG 4Å; R329-M336 HydrophobicContact CB-SD 3.8Å; K334-M336 PolarHBondContact O-N 2.99Å; M336-V404 HydrophobicContact CE-CG1 4.18Å
337	R	90.6	Very high	92.2	Very high	96 Å²	96	45.8 Å²	45.8	36%	0.362	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	148.9	-171.8	-62.7	-65.1	-173.8	-172.8	6.6	110.8	R326 I327 F339	R326-R337 WeakPolarHBondContact CA-O 3.43Å; I327-R337 HydrophobicContact CB-CB 4.38Å; I327-R337 PolarHBondContact N-O 2.83Å; I327-R337 PolarHBondContact O-N 2.98Å; R337-F339 HydrophobicContact CB-CE2 4.07Å; R337-F339 HydrophobicContact CB-CZ 4.25Å
338	V	93.6	Very high	92.1	Very high	61 Å²	61	51 Å²	51	37%	0.37	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.6	171.4	-173.5	0	0	0	0	108.4	K324 V325 R326 L335	K324-V338 HydrophobicContact CB-CG1 4.31Å; K324-V338 HydrophobicContact CD-CG1 4.34Å; V325-V338 CarbonylContact O-C 3.56Å; V325-V338 WeakPolarHBondContact O-CA 3.32Å; R326-V338 HydrophobicContact CG-CG1 4.26Å; R326-V338 HydrophobicContact CG-CG2 4.23Å; L335-V338 HydrophobicContact CD1-CG2 3.93Å; L335-V338 HydrophobicContact CD2-CG2 3.49Å; L335-V338 VanDerWaalsContact CD2-CG2 3.49Å; L335-V338 HydrophobicContact CG-CG2 4.06Å
339	F	92.8	Very high	91.9	Very high	23 Å²	23	53.5 Å²	53.5	10%	0.101	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.3	170.4	-54	-82.3	0	0	0	108.4	K324 V325 I327 R337 I402 N407	K324-F339 CarbonylContact C-O 3.23Å; K324-F339 WeakPolarHBondContact CA-O 3.33Å; V325-F339 HydrophobicContact CB-CB 4.15Å; V325-F339 HydrophobicContact CB-CD2 4.2Å; V325-F339 HydrophobicContact CG1-CD2 4.36Å; V325-F339 PolarHBondContact N-O 2.8Å; V325-F339 PolarHBondContact O-N 2.82Å; I327-F339 HydrophobicContact CD1-CE2 3.78Å; I327-F339 HydrophobicContact CG1-CE2 4.33Å; R337-F339 HydrophobicContact CB-CE2 4.07Å; R337-F339 HydrophobicContact CB-CZ 4.25Å; F339-I402 HydrophobicContact CD1-CD1 4.03Å; F339-I402 HydrophobicContact CD1-CG2 4.41Å; F339-I402 HydrophobicContact CE1-CD1 4.28Å; F339-I402 HydrophobicContact CE1-CG2 3.67Å; F339-I402 HydrophobicContact CE2-CG2 4.22Å; F339-I402 HydrophobicContact CG-CD1 4.2Å; F339-I402 HydrophobicContact CZ-CG2 3.57Å; F339-N407 WeakPolarHBondContact CE1-OD1 3.49Å; F339-N407 WeakPolarHBondContact CZ-OD1 3.25Å
340	D	92.3	Very high	91.8	Very high	50 Å²	50	47.9 Å²	47.9	27%	0.267	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.7	178.6	-156.8	-34.7	0	0	0	109.3	K324 S342 M345	K324-D340 WeakPolarHBondContact CE-OD2 3.46Å; K324-D340 IonicContact NZ-OD2 3.78Å; K324-D340 PolarHBondContact NZ-OD2 3.5Å; D340-S342 WeakPolarHBondContact OD1-CB 3.37Å; D340-S342 PolarHBondContact OD1-N 3.45Å; D340-S342 PolarHBondContact OD1-OG 2.78Å; D340-M345 WeakPolarHBondContact O-CE 3.36Å
341	E	90.9	Very high	91.7	Very high	18 Å²	18	55.3 Å²	55.3	8%	0.084	28%	0.279	C	S	.	.			trans	-118.4	29.2	176	-53.5	-76.3	179.4	0	0	110.4	R323 V325 F346 Y393 T395 K400	R323-E341 VanDerWaalsContact O-CB 3.26Å; R323-E341 WeakPolarHBondContact O-CB 3.32Å; R323-E341 PolarHBondContact O-N 2.99Å; V325-E341 HydrophobicContact CG2-CG 4.47Å; E341-F346 HydrophobicContact CB-CE2 4.23Å; E341-F346 HydrophobicContact CB-CZ 4.48Å; E341-F346 WeakPolarHBondContact O-CE2 3.31Å; E341-F346 WeakPolarHBondContact OE2-CZ 3.36Å; E341-Y393 HydrophobicContact CG-CE2 3.75Å; E341-Y393 PolarHBondContact OE1-OH 2.89Å; E341-T395 HydrophobicContact CG-CG2 4.4Å; E341-K400 WeakPolarHBondContact OE1-CD 3.36Å; E341-K400 IonicContact OE1-NZ 4Å; E341-K400 PolarHBondContact OE1-NZ 2.61Å; E341-K400 IonicContact OE2-NZ 3.94Å; E341-K400 PolarHBondContact OE2-NZ 3.27Å
342	S	91.1	Very high	91.7	Very high	17 Å²	17	60.6 Å²	60.6	12%	0.119	30%	0.304	C	S	.	.			trans	-66.6	154.3	174.4	59.2	0	0	0	0	112.2	D340 T344 M345 F346	D340-S342 WeakPolarHBondContact OD1-CB 3.37Å; D340-S342 PolarHBondContact OD1-N 3.45Å; D340-S342 PolarHBondContact OD1-OG 2.78Å; S342-T344 PolarHBondContact O-N 2.96Å; S342-T344 PolarHBondContact OG-OG1 3.11Å; S342-T344 VanDerWaalsContact OG-OG1 3.06Å; S342-M345 WeakPolarHBondContact O-CB 3.45Å; S342-M345 PolarHBondContact O-N 3.23Å; S342-M345 WeakPolarHBondContact OG-CB 3.48Å; S342-M345 PolarHBondContact OG-N 3.09Å; S342-F346 VanDerWaalsContact O-CD2 3.28Å; S342-F346 WeakPolarHBondContact O-CD2 3.36Å; S342-F346 PolarHBondContact O-N 3.3Å; S342-F346 VanDerWaalsContact O-N 3.14Å
343	L	90.7	Very high	91.7	Very high	31 Å²	31	67.9 Å²	67.9	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-29.9	178.6	-59.9	-179.9	0	0	0	112.6	F346 T347 M365 E368	L343-F346 PolarHBondContact O-N 2.79Å; L343-T347 PolarHBondContact O-N 3.28Å; L343-T347 PolarHBondContact O-OG1 3.18Å; L343-M365 HydrophobicContact CB-CE 4.18Å; L343-M365 HydrophobicContact CD2-SD 4.18Å; L343-E368 HydrophobicContact CD2-CB 3.8Å; L343-E368 HydrophobicContact CD2-CG 4.02Å
344	T	91.9	Very high	91.7	Very high	92 Å²	92	73.6 Å²	73.6	56%	0.564	35%	0.353	S	S	*	.	H	α-helix	trans	-63.7	-47.1	173.8	46.2	0	0	0	0	110.6	S342 F346 T347 E348	S342-T344 PolarHBondContact O-N 2.96Å; S342-T344 PolarHBondContact OG-OG1 3.11Å; S342-T344 VanDerWaalsContact OG-OG1 3.06Å; T344-F346 VanDerWaalsContact C-N 3.34Å; T344-F346 PolarHBondContact O-N 3.04Å; T344-T347 WeakPolarHBondContact O-CB 3.5Å; T344-T347 PolarHBondContact O-N 2.6Å; T344-T347 VanDerWaalsContact O-N 3.09Å; T344-E348 WeakPolarHBondContact O-CG 3.09Å; T344-E348 PolarHBondContact O-N 3.02Å
345	M	91.9	Very high	91.3	Very high	55 Å²	55	70.8 Å²	70.8	27%	0.271	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.3	-175.6	-86.9	-164.8	0	0	111.9	D340 S342 T347 E348 L349	D340-M345 WeakPolarHBondContact O-CE 3.36Å; S342-M345 WeakPolarHBondContact O-CB 3.45Å; S342-M345 PolarHBondContact O-N 3.23Å; S342-M345 WeakPolarHBondContact OG-CB 3.48Å; S342-M345 PolarHBondContact OG-N 3.09Å; M345-T347 VanDerWaalsContact C-N 3.32Å; M345-T347 PolarHBondContact O-N 3.27Å; M345-E348 PolarHBondContact O-N 2.75Å; M345-L349 HydrophobicContact CE-CD1 3.64Å; M345-L349 HydrophobicContact CE-CG 4.19Å; M345-L349 WeakPolarHBondContact O-CB 3.43Å; M345-L349 WeakPolarHBondContact O-CG 3.35Å; M345-L349 PolarHBondContact O-N 3.48Å; M345-L349 HydrophobicContact SD-CD1 3.31Å; M345-L349 WeakPolarHBondContact SD-CD1 3.5Å; M345-L349 HydrophobicContact SD-CG 3.86Å
346	F	91.8	Very high	91.1	Very high	6 Å²	6	68.8 Å²	68.8	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-36	174.5	-76.6	-62.8	0	0	0	113.4	E341 S342 L343 T344 L349 Q350 F361 M396 L397	E341-F346 HydrophobicContact CB-CE2 4.23Å; E341-F346 HydrophobicContact CB-CZ 4.48Å; E341-F346 WeakPolarHBondContact O-CE2 3.31Å; E341-F346 WeakPolarHBondContact OE2-CZ 3.36Å; S342-F346 VanDerWaalsContact O-CD2 3.28Å; S342-F346 WeakPolarHBondContact O-CD2 3.36Å; S342-F346 PolarHBondContact O-N 3.3Å; S342-F346 VanDerWaalsContact O-N 3.14Å; L343-F346 PolarHBondContact O-N 2.79Å; T344-F346 VanDerWaalsContact C-N 3.34Å; T344-F346 PolarHBondContact O-N 3.04Å; F346-L349 HydrophobicContact CD1-CD1 4.45Å; F346-Q350 WeakPolarHBondContact O-CB 3.3Å; F346-Q350 PolarHBondContact O-N 3.3Å; F346-F361 HydrophobicContact CB-CE2 4.44Å; F346-F361 HydrophobicContact CB-CZ 4.43Å; F346-M396 HydrophobicContact CB-SD 4.46Å; F346-M396 HydrophobicContact CD2-SD 4.48Å; F346-M396 HydrophobicContact CE2-CB 4.31Å; F346-M396 HydrophobicContact CG-SD 4.38Å; F346-M396 HydrophobicContact CZ-CB 4.47Å; F346-L397 HydrophobicContact CD1-CD1 4.29Å; F346-L397 HydrophobicContact CD1-CG 4.33Å; F346-L397 HydrophobicContact CE1-CD1 3.74Å; F346-L397 HydrophobicContact CE1-CG 3.83Å
347	T	92.5	Very high	91.1	Very high	48 Å²	48	69.8 Å²	69.8	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-68.2	-44.9	177.9	-55	0	0	0	0	110.8	L343 T344 M345 Q350 Q351	L343-T347 PolarHBondContact O-N 3.28Å; L343-T347 PolarHBondContact O-OG1 3.18Å; T344-T347 WeakPolarHBondContact O-CB 3.5Å; T344-T347 PolarHBondContact O-N 2.6Å; T344-T347 VanDerWaalsContact O-N 3.09Å; M345-T347 VanDerWaalsContact C-N 3.32Å; M345-T347 PolarHBondContact O-N 3.27Å; T347-Q350 PolarHBondContact O-N 2.97Å; T347-Q351 WeakPolarHBondContact O-CG 3.48Å; T347-Q351 PolarHBondContact O-N 3.32Å
348	E	93.6	Very high	91	Very high	111 Å²	111	70.2 Å²	70.2	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.1	-70.2	171.6	-168	0	0	111.6	T344 M345 Q350 Q351 M352	T344-E348 WeakPolarHBondContact O-CG 3.09Å; T344-E348 PolarHBondContact O-N 3.02Å; M345-E348 PolarHBondContact O-N 2.75Å; E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 3.19Å; E348-Q351 PolarHBondContact O-N 3.33Å; E348-M352 WeakPolarHBondContact O-CG 3.5Å; E348-M352 PolarHBondContact O-N 3.04Å
349	L	90.2	Very high	90.8	Very high	51 Å²	51	73.6 Å²	73.6	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-58.4	-43.6	175.3	-81.9	-179.7	0	0	0	112.2	M345 F346 Q351 M352 R353	M345-L349 HydrophobicContact CE-CD1 3.64Å; M345-L349 HydrophobicContact CE-CG 4.19Å; M345-L349 WeakPolarHBondContact O-CB 3.43Å; M345-L349 WeakPolarHBondContact O-CG 3.35Å; M345-L349 PolarHBondContact O-N 3.48Å; M345-L349 HydrophobicContact SD-CD1 3.31Å; M345-L349 WeakPolarHBondContact SD-CD1 3.5Å; M345-L349 HydrophobicContact SD-CG 3.86Å; F346-L349 HydrophobicContact CD1-CD1 4.45Å; L349-Q351 VanDerWaalsContact C-N 3.32Å; L349-M352 PolarHBondContact O-N 3.47Å; L349-R353 CarbonylContact O-C 3.45Å; L349-R353 PolarHBondContact O-N 2.91Å
350	Q	91.1	Very high	90.6	Very high	19 Å²	19	74.9 Å²	74.9	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-64.9	-37.2	179.3	-179.4	70.8	3.9	0	0	111.5	F346 T347 E348 R353 Q354 L356 D358 F361	F346-Q350 WeakPolarHBondContact O-CB 3.3Å; F346-Q350 PolarHBondContact O-N 3.3Å; T347-Q350 PolarHBondContact O-N 2.97Å; E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 3.19Å; Q350-R353 CarbonylContact O-C 3.52Å; Q350-Q354 PolarHBondContact O-N 3.38Å; Q350-L356 PolarHBondContact NE2-O 2.91Å; Q350-D358 PolarHBondContact NE2-OD1 3.4Å; Q350-F361 HydrophobicContact CB-CD2 4.34Å; Q350-F361 HydrophobicContact CB-CE1 4.38Å; Q350-F361 HydrophobicContact CB-CE2 3.88Å; Q350-F361 HydrophobicContact CB-CZ 3.91Å; Q350-F361 HydrophobicContact CG-CD1 4.19Å; Q350-F361 HydrophobicContact CG-CD2 4.06Å; Q350-F361 HydrophobicContact CG-CE1 4.22Å; Q350-F361 HydrophobicContact CG-CE2 4.09Å; Q350-F361 HydrophobicContact CG-CG 4.12Å; Q350-F361 HydrophobicContact CG-CZ 4.17Å
351	Q	91.6	Very high	90.6	Very high	158 Å²	158	73.6 Å²	73.6	74%	0.738	36%	0.363	S	S	*	.	H	α-helix	trans	-69.2	-39.7	175.3	-71.7	175.1	-3.2	0	0	112.5	T347 E348 L349	T347-Q351 WeakPolarHBondContact O-CG 3.48Å; T347-Q351 PolarHBondContact O-N 3.32Å; E348-Q351 PolarHBondContact O-N 3.33Å; L349-Q351 VanDerWaalsContact C-N 3.32Å
352	M	92.9	Very high	90.7	Very high	164 Å²	164	74.6 Å²	74.6	81%	0.808	38%	0.379	S	S	*	.	H	α-helix	trans	-70.7	-44	177.4	-71.4	-170.5	-179.1	0	0	112.2	E348 L349	E348-M352 WeakPolarHBondContact O-CG 3.5Å; E348-M352 PolarHBondContact O-N 3.04Å; L349-M352 PolarHBondContact O-N 3.47Å
353	R	89.8	Confident	90.7	Very high	201 Å²	201	80.5 Å²	80.5	76%	0.758	40%	0.398	S	S	*	.	S	Bend	trans	-148.8	111.3	179.5	-176.9	179.2	-179.7	-178.7	1.6	109.2	L349 Q350 Q355	L349-R353 CarbonylContact O-C 3.45Å; L349-R353 PolarHBondContact O-N 2.91Å; Q350-R353 CarbonylContact O-C 3.52Å; R353-Q355 WeakPolarHBondContact O-CG 3.4Å; R353-Q355 PolarHBondContact O-N 3.43Å
354	Q	88.3	Confident	90.7	Very high	119 Å²	119	79.5 Å²	79.5	56%	0.556	39%	0.392	S	S	*	.			trans	-55.2	111.2	176.4	-163.9	175.4	28.6	0	0	110.2	Q350 L356 D358	Q350-Q354 PolarHBondContact O-N 3.38Å; Q354-L356 VanDerWaalsContact CG-O 3.25Å; Q354-L356 WeakPolarHBondContact CG-O 3.27Å; Q354-D358 PolarHBondContact NE2-OD1 2.92Å
355	Q	85.2	Confident	90.7	Very high	56 Å²	56	76 Å²	76	26%	0.262	37%	0.37	S	S	.	.			trans	-94.4	-29.7	-178.5	-64.3	-158.9	10	0	0	112.6	R353 K415	R353-Q355 WeakPolarHBondContact O-CG 3.4Å; R353-Q355 PolarHBondContact O-N 3.43Å; Q355-K415 VanDerWaalsContact O-CE 3.31Å; Q355-K415 WeakPolarHBondContact O-CE 3.38Å; Q355-K415 PolarHBondContact O-NZ 2.7Å
356	L	88.6	Confident	90.7	Very high	12 Å²	12	76 Å²	76	6%	0.063	38%	0.379	C	S	.	.	S	Bend	trans	-136.5	155.3	178.9	-67.6	175	0	0	0	109.1	Q350 Q354 F361 L397 K415	Q350-L356 PolarHBondContact NE2-O 2.91Å; Q354-L356 VanDerWaalsContact CG-O 3.25Å; Q354-L356 WeakPolarHBondContact CG-O 3.27Å; L356-F361 HydrophobicContact CB-CB 4.38Å; L356-L397 HydrophobicContact CD1-CD2 3.62Å; L356-L397 HydrophobicContact CG-CD2 4.14Å; L356-K415 HydrophobicContact CD2-CG 4.4Å
357	P	91.8	Very high	90.7	Very high	77 Å²	77	77.9 Å²	77.9	50%	0.5	39%	0.391	S	S	.	.			trans	-58.4	143.7	169	-21.5	33.4	0	0	0	111.4	M359 E360 F361	P357-M359 VanDerWaalsContact C-N 3.29Å; P357-M359 PolarHBondContact O-N 3.16Å; P357-E360 PolarHBondContact O-N 3.36Å; P357-F361 PolarHBondContact O-N 3.04Å
358	D	89.5	Confident	90.7	Very high	106 Å²	106	75.8 Å²	75.8	57%	0.567	38%	0.377	S	S	*	.	H	α-helix	trans	-61.3	-35.6	-170.2	-61.9	-24.3	0	0	0	113.5	Q350 Q354 E360 F361 G362	Q350-D358 PolarHBondContact NE2-OD1 3.4Å; Q354-D358 PolarHBondContact NE2-OD1 2.92Å; D358-E360 VanDerWaalsContact C-N 3.35Å; D358-E360 PolarHBondContact O-N 2.84Å; D358-F361 PolarHBondContact O-N 3.43Å; D358-G362 PolarHBondContact O-N 2.89Å
359	M	89	Confident	90.5	Very high	132 Å²	132	78 Å²	78	65%	0.65	38%	0.381	S	S	*	.	H	α-helix	trans	-62.1	-42.7	175.2	-175.8	179.9	66.6	0	0	111.8	P357 R363	P357-M359 VanDerWaalsContact C-N 3.29Å; P357-M359 PolarHBondContact O-N 3.16Å; M359-R363 WeakPolarHBondContact O-CG 3.39Å; M359-R363 PolarHBondContact O-N 3.12Å; M359-R363 VanDerWaalsContact O-N 3.16Å
360	E	89.1	Confident	90.6	Very high	49 Å²	49	79.2 Å²	79.2	23%	0.229	39%	0.385	C	S	.	.	H	α-helix	trans	-72	-42.8	179.4	-173.7	176.3	-178.6	0	0	111.2	P357 D358 G362 R363 R364	P357-E360 PolarHBondContact O-N 3.36Å; D358-E360 VanDerWaalsContact C-N 3.35Å; D358-E360 PolarHBondContact O-N 2.84Å; E360-G362 VanDerWaalsContact C-N 3.31Å; E360-G362 PolarHBondContact O-N 3.47Å; E360-R363 PolarHBondContact O-N 3.5Å; E360-R364 WeakPolarHBondContact O-CG 3.45Å; E360-R364 PolarHBondContact O-N 3.44Å; E360-R364 IonicContact OE1-CZ 2.62Å; E360-R364 IonicContact OE1-NE 2.94Å; E360-R364 PolarHBondContact OE1-NE 3.06Å; E360-R364 IonicContact OE1-NH2 2.78Å; E360-R364 PolarHBondContact OE1-NH2 3.15Å
361	F	92.4	Very high	90.6	Very high	24 Å²	24	78.3 Å²	78.3	11%	0.105	38%	0.381	C	S	.	.	H	α-helix	trans	-56.4	-46.3	174.4	-175.7	-94.7	0	0	0	111.2	F346 Q350 L356 P357 D358 R363 R364 M365 M396	F346-F361 HydrophobicContact CB-CE2 4.44Å; F346-F361 HydrophobicContact CB-CZ 4.43Å; Q350-F361 HydrophobicContact CB-CD2 4.34Å; Q350-F361 HydrophobicContact CB-CE1 4.38Å; Q350-F361 HydrophobicContact CB-CE2 3.88Å; Q350-F361 HydrophobicContact CB-CZ 3.91Å; Q350-F361 HydrophobicContact CG-CD1 4.19Å; Q350-F361 HydrophobicContact CG-CD2 4.06Å; Q350-F361 HydrophobicContact CG-CE1 4.22Å; Q350-F361 HydrophobicContact CG-CE2 4.09Å; Q350-F361 HydrophobicContact CG-CG 4.12Å; Q350-F361 HydrophobicContact CG-CZ 4.17Å; L356-F361 HydrophobicContact CB-CB 4.38Å; P357-F361 PolarHBondContact O-N 3.04Å; D358-F361 PolarHBondContact O-N 3.43Å; F361-R363 PolarHBondContact O-N 3.44Å; F361-R364 PolarHBondContact O-N 2.87Å; F361-M365 HydrophobicContact CD1-CG 3.91Å; F361-M365 HydrophobicContact CE1-CG 3.55Å; F361-M365 HydrophobicContact CE1-SD 4.15Å; F361-M365 HydrophobicContact CZ-CG 3.91Å; F361-M365 HydrophobicContact CZ-SD 3.99Å; F361-M365 WeakPolarHBondContact O-CB 3.26Å; F361-M365 VanDerWaalsContact O-CG 3.31Å; F361-M365 WeakPolarHBondContact O-CG 3.22Å; F361-M365 PolarHBondContact O-N 3.36Å; F361-M396 HydrophobicContact CD2-CE 3.54Å; F361-M396 HydrophobicContact CE2-CE 3.55Å; F361-M396 HydrophobicContact CE2-SD 4.32Å; F361-M396 HydrophobicContact CG-CE 4.08Å; F361-M396 HydrophobicContact CZ-CE 4.09Å; F361-M396 WeakPolarHBondContact O-CE 3.37Å
362	G	91.6	Very high	90.4	Very high	39 Å²	39	76.2 Å²	76.2	40%	0.402	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-42.3	176.3	0	0	0	0	0	113.3	D358 E360 M365 A366	D358-G362 PolarHBondContact O-N 2.89Å; E360-G362 VanDerWaalsContact C-N 3.31Å; E360-G362 PolarHBondContact O-N 3.47Å; G362-M365 PolarHBondContact O-N 3.02Å; G362-A366 PolarHBondContact O-N 3Å
363	R	91	Very high	90.2	Very high	140 Å²	140	77.1 Å²	77.1	53%	0.528	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-48.2	175	-72.9	176.6	-173.7	175.4	2	111.7	M359 E360 F361 M365 A366 V367	M359-R363 WeakPolarHBondContact O-CG 3.39Å; M359-R363 PolarHBondContact O-N 3.12Å; M359-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 PolarHBondContact O-N 3.5Å; F361-R363 PolarHBondContact O-N 3.44Å; R363-M365 VanDerWaalsContact C-N 3.33Å; R363-M365 PolarHBondContact O-N 3.33Å; R363-A366 WeakPolarHBondContact O-CB 3.21Å; R363-A366 PolarHBondContact O-N 3.5Å; R363-A366 VanDerWaalsContact O-N 3.15Å; R363-V367 WeakPolarHBondContact O-CG2 3.48Å; R363-V367 PolarHBondContact O-N 3.1Å; R363-V367 VanDerWaalsContact O-N 3.1Å
364	R	92.1	Very high	90.1	Very high	10 Å²	10	71.4 Å²	71.4	4%	0.038	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-35.8	179	-66.6	-171.6	-170.8	-156.3	7	112.3	E360 F361 A366 V367 E368 M396 L397 K415 E417	E360-R364 WeakPolarHBondContact O-CG 3.45Å; E360-R364 PolarHBondContact O-N 3.44Å; E360-R364 IonicContact OE1-CZ 2.62Å; E360-R364 IonicContact OE1-NE 2.94Å; E360-R364 PolarHBondContact OE1-NE 3.06Å; E360-R364 IonicContact OE1-NH2 2.78Å; E360-R364 PolarHBondContact OE1-NH2 3.15Å; F361-R364 PolarHBondContact O-N 2.87Å; R364-A366 VanDerWaalsContact C-N 3.32Å; R364-A366 PolarHBondContact O-N 3.47Å; R364-V367 PolarHBondContact O-N 2.87Å; R364-E368 PolarHBondContact O-N 3.5Å; R364-M396 HydrophobicContact CB-CE 3.5Å; R364-M396 HydrophobicContact CB-CG 3.87Å; R364-M396 WeakPolarHBondContact CD-O 3.38Å; R364-M396 PolarHBondContact NH1-O 3.07Å; R364-M396 VanDerWaalsContact NH1-O 3.16Å; R364-L397 PolarHBondContact NH1-O 3.07Å; R364-K415 PolarHBondContact NH2-O 3.25Å; R364-E417 PolarHBondContact NH2-O 2.84Å; R364-E417 VanDerWaalsContact NH2-O 3.11Å
365	M	91.4	Very high	89.8	Confident	19 Å²	19	68.6 Å²	68.6	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-38.1	173.4	-77.4	-65.6	-76.4	0	0	111.8	L343 F361 G362 R363 E368 R369 M396	L343-M365 HydrophobicContact CB-CE 4.18Å; L343-M365 HydrophobicContact CD2-SD 4.18Å; F361-M365 HydrophobicContact CD1-CG 3.91Å; F361-M365 HydrophobicContact CE1-CG 3.55Å; F361-M365 HydrophobicContact CE1-SD 4.15Å; F361-M365 HydrophobicContact CZ-CG 3.91Å; F361-M365 HydrophobicContact CZ-SD 3.99Å; F361-M365 WeakPolarHBondContact O-CB 3.26Å; F361-M365 VanDerWaalsContact O-CG 3.31Å; F361-M365 WeakPolarHBondContact O-CG 3.22Å; F361-M365 PolarHBondContact O-N 3.36Å; G362-M365 PolarHBondContact O-N 3.02Å; R363-M365 VanDerWaalsContact C-N 3.33Å; R363-M365 PolarHBondContact O-N 3.33Å; M365-E368 PolarHBondContact O-N 3.39Å; M365-R369 WeakPolarHBondContact O-CG 3.4Å; M365-R369 PolarHBondContact O-N 3.42Å; M365-R369 VanDerWaalsContact O-N 3.12Å; M365-M396 HydrophobicContact CB-CE 4.36Å; M365-M396 HydrophobicContact CG-CE 3.53Å; M365-M396 HydrophobicContact CG-SD 4.21Å; M365-M396 HydrophobicContact SD-CE 3.79Å; M365-M396 HydrophobicContact SD-SD 3.66Å; M365-M396 VanDerWaalsContact SD-SD 3.66Å
366	A	91.8	Very high	89.7	Confident	56 Å²	56	66.2 Å²	66.2	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-43.2	176.4	0	0	0	0	0	111.4	G362 R363 R364 E368 R369 E370	G362-A366 PolarHBondContact O-N 3Å; R363-A366 WeakPolarHBondContact O-CB 3.21Å; R363-A366 PolarHBondContact O-N 3.5Å; R363-A366 VanDerWaalsContact O-N 3.15Å; R364-A366 VanDerWaalsContact C-N 3.32Å; R364-A366 PolarHBondContact O-N 3.47Å; A366-E368 VanDerWaalsContact C-N 3.31Å; A366-E368 PolarHBondContact O-N 3.45Å; A366-R369 PolarHBondContact O-N 2.49Å; A366-E370 PolarHBondContact O-N 3.47Å
367	V	92.4	Very high	89.5	Confident	45 Å²	45	66.4 Å²	66.4	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-40.5	175	176.1	0	0	0	0	111.2	R363 R364 R369 E370 L371 R420 F464	R363-V367 WeakPolarHBondContact O-CG2 3.48Å; R363-V367 PolarHBondContact O-N 3.1Å; R363-V367 VanDerWaalsContact O-N 3.1Å; R364-V367 PolarHBondContact O-N 2.87Å; V367-R369 VanDerWaalsContact C-N 3.35Å; V367-R369 PolarHBondContact O-N 3.44Å; V367-E370 PolarHBondContact O-N 3.13Å; V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 PolarHBondContact O-N 3.44Å; V367-R420 HydrophobicContact CG1-CB 3.9Å; V367-R420 HydrophobicContact CG1-CG 4.3Å; V367-F464 HydrophobicContact CG1-CD1 4.09Å
368	E	91.1	Very high	89.3	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.019	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-34.4	177	-78.3	-68.2	-178.2	0	0	114	R323 L343 R364 M365 A366 E372 M396 R420	R323-E368 IonicContact CZ-OE2 2.68Å; R323-E368 IonicContact NH1-OE2 2.73Å; R323-E368 PolarHBondContact NH1-OE2 2.89Å; R323-E368 PolarHBondContact NH2-O 3.34Å; R323-E368 IonicContact NH2-OE2 3.15Å; L343-E368 HydrophobicContact CD2-CB 3.8Å; L343-E368 HydrophobicContact CD2-CG 4.02Å; R364-E368 PolarHBondContact O-N 3.5Å; M365-E368 PolarHBondContact O-N 3.39Å; A366-E368 VanDerWaalsContact C-N 3.31Å; A366-E368 PolarHBondContact O-N 3.45Å; E368-E372 PolarHBondContact O-N 3.13Å; E368-M396 HydrophobicContact CG-CB 4.02Å; E368-M396 HydrophobicContact CG-CG 3.99Å; E368-R420 IonicContact OE1-CZ 3.78Å; E368-R420 IonicContact OE1-NE 2.68Å; E368-R420 PolarHBondContact OE1-NE 3.44Å; E368-R420 IonicContact OE1-NH2 3.6Å; E368-R420 PolarHBondContact OE1-NH2 3.14Å; E368-R420 IonicContact OE2-NE 3.4Å; E368-R420 IonicContact OE2-NH2 2.77Å
369	R	90.8	Very high	89.3	Confident	158 Å²	158	65.8 Å²	65.8	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-70.5	-35.8	173.3	-71	175.2	178.7	173.2	0.6	111.5	M365 A366 V367 K373	M365-R369 WeakPolarHBondContact O-CG 3.4Å; M365-R369 PolarHBondContact O-N 3.42Å; M365-R369 VanDerWaalsContact O-N 3.12Å; A366-R369 PolarHBondContact O-N 2.49Å; V367-R369 VanDerWaalsContact C-N 3.35Å; V367-R369 PolarHBondContact O-N 3.44Å; R369-K373 WeakPolarHBondContact O-CG 3.49Å; R369-K373 PolarHBondContact O-N 2.75Å
370	E	91.8	Very high	89.4	Confident	76 Å²	76	60 Å²	60	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-69.1	-42	175	-169	-178.1	179.3	0	0	111.8	A366 V367 E372 K373 V374 F464 K465	A366-E370 PolarHBondContact O-N 3.47Å; V367-E370 PolarHBondContact O-N 3.13Å; E370-E372 PolarHBondContact O-N 2.77Å; E370-K373 PolarHBondContact O-N 2.57Å; E370-K373 VanDerWaalsContact O-N 3.14Å; E370-V374 HydrophobicContact CG-CG2 4.48Å; E370-V374 WeakPolarHBondContact O-CG2 3.43Å; E370-V374 PolarHBondContact O-N 3.41Å; E370-V374 VanDerWaalsContact O-N 3.07Å; E370-F464 HydrophobicContact CG-CE1 4.31Å; E370-K465 IonicContact OE1-NZ 2.69Å; E370-K465 PolarHBondContact OE1-NZ 3.25Å
371	L	90.2	Very high	89.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-55.4	-39.7	175.3	-175.6	71	0	0	0	111.6	V367 D375 G376 V377 R420 V422 F464	V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 PolarHBondContact O-N 3.44Å; L371-D375 PolarHBondContact O-N 3.15Å; L371-G376 PolarHBondContact O-N 3.01Å; L371-V377 HydrophobicContact CD2-CG2 4.13Å; L371-V377 HydrophobicContact CG-CG2 3.93Å; L371-R420 HydrophobicContact CD2-CG 4.5Å; L371-V422 HydrophobicContact CD1-CG2 4.45Å; L371-F464 HydrophobicContact CB-CZ 4.49Å; L371-F464 HydrophobicContact CD1-CB 4.29Å; L371-F464 HydrophobicContact CD1-CD1 4.27Å; L371-F464 HydrophobicContact CD1-CD2 3.27Å; L371-F464 HydrophobicContact CD1-CE1 4.43Å; L371-F464 HydrophobicContact CD1-CE2 3.49Å; L371-F464 VanDerWaalsContact CD1-CE2 3.49Å; L371-F464 HydrophobicContact CD1-CG 3.7Å; L371-F464 HydrophobicContact CD1-CZ 4.07Å
372	E	87.9	Confident	89.8	Confident	114 Å²	114	57.7 Å²	57.7	53%	0.533	28%	0.284	S	S	.	.	H	α-helix	trans	-70	-42.2	177.1	-168.2	168.7	167.4	0	0	112.6	R323 E368 E370 V374 D375	R323-E372 IonicContact CZ-OE2 2.86Å; R323-E372 IonicContact NH2-OE2 3.59Å; R323-E372 PolarHBondContact NH2-OE2 2.76Å; E368-E372 PolarHBondContact O-N 3.13Å; E370-E372 PolarHBondContact O-N 2.77Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 PolarHBondContact O-N 2.66Å; E372-D375 PolarHBondContact O-N 2.73Å
373	K	88.9	Confident	90	Very high	182 Å²	182	57 Å²	57	79%	0.791	27%	0.271	S	S	*	.	H	α-helix	trans	-62.2	-36.7	177.8	-74.2	175.9	-179	-176.3	0	113.1	R369 E370 D375	R369-K373 WeakPolarHBondContact O-CG 3.49Å; R369-K373 PolarHBondContact O-N 2.75Å; E370-K373 PolarHBondContact O-N 2.57Å; E370-K373 VanDerWaalsContact O-N 3.14Å; K373-D375 VanDerWaalsContact C-N 3.28Å
374	V	87.3	Confident	90.1	Very high	81 Å²	81	51.4 Å²	51.4	49%	0.491	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.4	-177.5	-175.3	0	0	0	0	111.7	E370 E372 G376 F464	E370-V374 HydrophobicContact CG-CG2 4.48Å; E370-V374 WeakPolarHBondContact O-CG2 3.43Å; E370-V374 PolarHBondContact O-N 3.41Å; E370-V374 VanDerWaalsContact O-N 3.07Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 PolarHBondContact O-N 2.66Å; V374-G376 PolarHBondContact O-N 3.03Å; V374-F464 HydrophobicContact CB-CZ 4.47Å
375	D	83.3	Confident	90	Very high	61 Å²	61	51 Å²	51	33%	0.326	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	28.5	-171.7	-169.4	38.6	0	0	0	112.4	L371 E372 K373 V377 R378	L371-D375 PolarHBondContact O-N 3.15Å; E372-D375 PolarHBondContact O-N 2.73Å; K373-D375 VanDerWaalsContact C-N 3.28Å; D375-V377 PolarHBondContact O-N 2.94Å; D375-R378 WeakPolarHBondContact O-CD 3.4Å; D375-R378 WeakPolarHBondContact O-CG 3.34Å; D375-R378 PolarHBondContact O-N 2.82Å; D375-R378 IonicContact OD2-NH1 3.71Å
376	G	81.8	Confident	89.7	Confident	6 Å²	6	56.4 Å²	56.4	6%	0.062	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-72.7	-15	179.8	0	0	0	0	0	112.9	L371 V374 R378 L379	L371-G376 PolarHBondContact O-N 3.01Å; V374-G376 PolarHBondContact O-N 3.03Å; G376-R378 PolarHBondContact O-N 3.07Å; G376-L379 PolarHBondContact O-N 3Å; G376-L379 VanDerWaalsContact O-N 3.16Å
377	V	84.9	Confident	89.4	Confident	16 Å²	16	55.9 Å²	55.9	10%	0.097	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.4	174.3	-167.3	0	0	0	0	110.6	I305 L371 D375 L379 T380	I305-V377 HydrophobicContact CD1-CB 4.14Å; I305-V377 HydrophobicContact CD1-CG1 3.5Å; I305-V377 VanDerWaalsContact CD1-CG1 3.5Å; I305-V377 WeakPolarHBondContact CG2-O 3.34Å; L371-V377 HydrophobicContact CD2-CG2 4.13Å; L371-V377 HydrophobicContact CG-CG2 3.93Å; D375-V377 PolarHBondContact O-N 2.94Å; V377-L379 PolarHBondContact O-N 2.9Å; V377-L379 VanDerWaalsContact O-N 3.09Å; V377-T380 HydrophobicContact CG1-CG2 4.46Å; V377-T380 WeakPolarHBondContact O-CB 3.15Å; V377-T380 WeakPolarHBondContact O-CG2 3.43Å; V377-T380 PolarHBondContact O-N 3.01Å; V377-T380 PolarHBondContact O-OG1 3.03Å
378	R	87.3	Confident	89.1	Confident	129 Å²	129	53.8 Å²	53.8	49%	0.487	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-56.8	-26.8	178.4	81.6	-171.6	-176.9	-158.6	2.8	114.4	I305 D375 G376 T380	I305-R378 WeakPolarHBondContact CG2-O 3.26Å; D375-R378 WeakPolarHBondContact O-CD 3.4Å; D375-R378 WeakPolarHBondContact O-CG 3.34Å; D375-R378 PolarHBondContact O-N 2.82Å; D375-R378 IonicContact OD2-NH1 3.71Å; G376-R378 PolarHBondContact O-N 3.07Å; R378-T380 VanDerWaalsContact C-N 3.3Å
379	L	89.1	Confident	89	Confident	40 Å²	40	55.4 Å²	55.4	21%	0.209	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-82.6	-10.8	-179.5	-68.2	175.9	0	0	0	112	G376 V377 V422 Q423	G376-L379 PolarHBondContact O-N 3Å; G376-L379 VanDerWaalsContact O-N 3.16Å; V377-L379 PolarHBondContact O-N 2.9Å; V377-L379 VanDerWaalsContact O-N 3.09Å; L379-V422 VanDerWaalsContact C-CG1 3.43Å; L379-V422 HydrophobicContact CB-CG1 3.34Å; L379-Q423 WeakPolarHBondContact O-CG 3.43Å; L379-Q423 PolarHBondContact O-NE2 3.16Å
380	T	92.6	Very high	89.1	Confident	10 Å²	10	47.9 Å²	47.9	6%	0.061	23%	0.232	C	C	.	.			trans	-66.3	138.5	-179.1	60.5	0	0	0	0	111.1	S306 V377 R378 V422	S306-T380 WeakPolarHBondContact CB-O 3.11Å; V377-T380 HydrophobicContact CG1-CG2 4.46Å; V377-T380 WeakPolarHBondContact O-CB 3.15Å; V377-T380 WeakPolarHBondContact O-CG2 3.43Å; V377-T380 PolarHBondContact O-N 3.01Å; V377-T380 PolarHBondContact O-OG1 3.03Å; R378-T380 VanDerWaalsContact C-N 3.3Å; T380-V422 VanDerWaalsContact CA-O 3.32Å; T380-V422 WeakPolarHBondContact CA-O 3.44Å; T380-V422 HydrophobicContact CG2-CG1 4.07Å
381	N	94.1	Very high	89.3	Confident	22 Å²	22	44.2 Å²	44.2	12%	0.118	22%	0.215	C	C	.	.			trans	-126.9	166.7	177.1	76.7	-17.3	0	0	0	113.5	S306 V422 Q423 L424	S306-N381 WeakPolarHBondContact OG-CA 3.31Å; N381-V422 PolarHBondContact N-O 2.91Å; N381-Q423 WeakPolarHBondContact OD1-CA 3.44Å; N381-L424 PolarHBondContact ND2-O 2.95Å; N381-L424 PolarHBondContact OD1-N 3.14Å
382	I	94.8	Very high	89.5	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.2	176.1	-170.8	155.9	0	0	0	108.9	S306 A308 A317 I319 V325 V391 Y393	S306-I382 PolarHBondContact OG-N 2.86Å; A308-I382 HydrophobicContact CB-CG2 3.96Å; A308-I382 VanDerWaalsContact CB-O 3.24Å; A308-I382 WeakPolarHBondContact CB-O 3.46Å; A317-I382 HydrophobicContact CB-CD1 3.68Å; A317-I382 HydrophobicContact CB-CG1 4.17Å; I319-I382 HydrophobicContact CD1-CB 3.71Å; I319-I382 HydrophobicContact CD1-CD1 4.16Å; I319-I382 HydrophobicContact CD1-CG1 4.37Å; I319-I382 HydrophobicContact CG1-CB 3.85Å; I319-I382 HydrophobicContact CG1-CD1 3.75Å; I319-I382 HydrophobicContact CG1-CG1 4.38Å; I319-I382 HydrophobicContact CG1-CG2 4.29Å; V325-I382 HydrophobicContact CG1-CD1 3.39Å; I382-V391 HydrophobicContact CD1-CG1 3.57Å; I382-V391 HydrophobicContact CG1-CG1 3.72Å; I382-Y393 HydrophobicContact CD1-CD1 4.14Å; I382-Y393 HydrophobicContact CG1-CD1 4.48Å
383	I	94.6	Very high	89.8	Confident	25 Å²	25	39 Å²	39	13%	0.128	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.1	178.7	64.6	178.4	0	0	0	110.4	L392 L424 L426	I383-L392 HydrophobicContact CD1-CB 4.29Å; I383-L392 HydrophobicContact CG1-CB 3.79Å; I383-L392 HydrophobicContact CG1-CD1 4.45Å; I383-L392 PolarHBondContact N-O 2.79Å; I383-L392 PolarHBondContact O-N 2.76Å; I383-L424 HydrophobicContact CD1-CB 4.03Å; I383-L426 HydrophobicContact CD1-CB 3.64Å
384	F	93.9	Very high	90	Very high	21 Å²	21	30.7 Å²	30.7	9%	0.092	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	155	166.1	-80.9	-88.4	0	0	0	109.7	A308 F309 K315 A317 F390 V391 V404	A308-F384 HydrophobicContact CB-CD2 4.15Å; F309-F384 VanDerWaalsContact C-CD2 3.44Å; F309-F384 WeakPolarHBondContact O-CD2 3.35Å; K315-F384 HydrophobicContact CB-CE1 4.44Å; K315-F384 HydrophobicContact CB-CZ 4.07Å; A317-F384 HydrophobicContact CB-CD2 4.41Å; A317-F384 HydrophobicContact CB-CE2 3.38Å; A317-F384 HydrophobicContact CB-CZ 3.59Å; F384-F390 WeakPolarHBondContact CA-O 3.33Å; F384-F390 WeakPolarHBondContact CD1-O 3.44Å; F384-V391 HydrophobicContact CD1-CG2 3.56Å; F384-V391 HydrophobicContact CE1-CG2 3.21Å; F384-V391 HydrophobicContact CE2-CG2 4.27Å; F384-V391 HydrophobicContact CG-CG2 4.24Å; F384-V391 HydrophobicContact CZ-CG2 3.62Å; F384-V404 HydrophobicContact CE1-CG2 4.4Å
385	D	90.9	Very high	90.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.134	C	C	.	.			trans	-74	165.3	161.9	79	-49.7	0	0	0	111.3	L97 P311 T387 G388 H389 F390 L392 L426	L97-D385 HydrophobicContact CD2-CB 4.2Å; P311-D385 WeakPolarHBondContact CD-O 2.93Å; P311-D385 WeakPolarHBondContact CG-O 3.49Å; D385-T387 PolarHBondContact O-N 2.82Å; D385-T387 VanDerWaalsContact O-N 3.15Å; D385-T387 PolarHBondContact OD1-OG1 3.48Å; D385-T387 VanDerWaalsContact OD2-CB 3.29Å; D385-T387 WeakPolarHBondContact OD2-CB 3.22Å; D385-T387 WeakPolarHBondContact OD2-CG2 3.45Å; D385-T387 PolarHBondContact OD2-N 2.78Å; D385-T387 PolarHBondContact OD2-OG1 3.35Å; D385-G388 PolarHBondContact O-N 2.9Å; D385-G388 WeakPolarHBondContact OD1-CA 3.38Å; D385-G388 PolarHBondContact OD1-N 3.01Å; D385-H389 PolarHBondContact OD1-N 3.27Å; D385-F390 HydrophobicContact CB-CB 4.18Å; D385-F390 PolarHBondContact N-O 3.45Å; D385-F390 VanDerWaalsContact N-O 3.14Å; D385-F390 PolarHBondContact OD1-N 2.88Å; D385-L392 HydrophobicContact CB-CD1 4.46Å; D385-L426 HydrophobicContact CB-CD2 4.21Å
386	E	84.4	Confident	90.5	Very high	133 Å²	133	24.4 Å²	24.4	62%	0.621	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.4	178.1	-79.6	-178.8	-177	0	0	113.4	P311 Q428	P311-E386 WeakPolarHBondContact CG-O 3.4Å; E386-Q428 VanDerWaalsContact CB-OE1 3.26Å; E386-Q428 HydrophobicContact CG-CB 4.5Å; E386-Q428 VanDerWaalsContact CG-OE1 3.22Å
387	T	85.3	Confident	90.9	Very high	46 Å²	46	24.2 Å²	24.2	28%	0.282	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-23	178.4	81.4	0	0	0	0	112.5	Y93 D385 H389	Y93-T387 HydrophobicContact CD1-CG2 3.46Å; Y93-T387 VanDerWaalsContact CD1-CG2 3.46Å; Y93-T387 HydrophobicContact CE1-CG2 3.8Å; Y93-T387 HydrophobicContact CG-CG2 4.31Å; D385-T387 PolarHBondContact O-N 2.82Å; D385-T387 VanDerWaalsContact O-N 3.15Å; D385-T387 PolarHBondContact OD1-OG1 3.48Å; D385-T387 VanDerWaalsContact OD2-CB 3.29Å; D385-T387 WeakPolarHBondContact OD2-CB 3.22Å; D385-T387 WeakPolarHBondContact OD2-CG2 3.45Å; D385-T387 PolarHBondContact OD2-N 2.78Å; D385-T387 PolarHBondContact OD2-OG1 3.35Å; T387-H389 VanDerWaalsContact C-N 3.32Å; T387-H389 PolarHBondContact OG1-CD2 3.43Å; T387-H389 VanDerWaalsContact OG1-CD2 3.27Å; T387-H389 PolarHBondContact OG1-N 3.35Å
388	G	85.6	Confident	91.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	11%	0.114	C	C	.	.	S	Bend	trans	76.5	15.3	-177.5	0	0	0	0	0	114.5	K315 D385	K315-G388 PolarHBondContact NZ-O 3.18Å; D385-G388 PolarHBondContact O-N 2.9Å; D385-G388 WeakPolarHBondContact OD1-CA 3.38Å; D385-G388 PolarHBondContact OD1-N 3.01Å
389	H	90.1	Very high	91.6	Very high	37 Å²	37	17.4 Å²	17.4	17%	0.171	9%	0.09	C	C	.	.	S	Bend	trans	-96.3	-26.4	175.6	-66	-67.1	0	0	0	112.7	L87 D385 T387 V404 E405	L87-H389 HydrophobicContact CD2-CB 3.94Å; D385-H389 PolarHBondContact OD1-N 3.27Å; T387-H389 VanDerWaalsContact C-N 3.32Å; T387-H389 PolarHBondContact OG1-CD2 3.43Å; T387-H389 VanDerWaalsContact OG1-CD2 3.27Å; T387-H389 PolarHBondContact OG1-N 3.35Å; H389-V404 WeakPolarHBondContact O-CB 3.21Å; H389-V404 WeakPolarHBondContact O-CG2 3.32Å; H389-V404 PolarHBondContact O-N 3.42Å; H389-E405 IonicContact CE1-OE1 2.7Å; H389-E405 PolarHBondContact CE1-OE1 2.85Å; H389-E405 IonicContact ND1-OE1 2.68Å; H389-E405 PolarHBondContact ND1-OE1 2.65Å; H389-E405 VanDerWaalsContact ND1-OE1 3.11Å
390	F	93.3	Very high	91.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.4	-179.5	-60.1	-81.8	0	0	0	111.5	L87 E90 L94 L97 F384 D385 L392 V401 I402 N403 V410	L87-F390 HydrophobicContact CD2-CE2 4.49Å; L87-F390 HydrophobicContact CD2-CZ 4.36Å; E90-F390 HydrophobicContact CG-CZ 4.21Å; L94-F390 HydrophobicContact CD2-CD1 4.39Å; L94-F390 HydrophobicContact CD2-CE1 3.65Å; L94-F390 HydrophobicContact CD2-CE2 4.41Å; L94-F390 HydrophobicContact CD2-CZ 3.66Å; L94-F390 HydrophobicContact CG-CE1 4.36Å; L94-F390 HydrophobicContact CG-CZ 3.94Å; L97-F390 HydrophobicContact CD1-CB 4.09Å; L97-F390 HydrophobicContact CD1-CD1 4.48Å; L97-F390 HydrophobicContact CD1-CD2 3.96Å; L97-F390 HydrophobicContact CD1-CG 3.91Å; F384-F390 WeakPolarHBondContact CA-O 3.33Å; F384-F390 WeakPolarHBondContact CD1-O 3.44Å; D385-F390 HydrophobicContact CB-CB 4.18Å; D385-F390 PolarHBondContact N-O 3.45Å; D385-F390 VanDerWaalsContact N-O 3.14Å; D385-F390 PolarHBondContact OD1-N 2.88Å; F390-L392 HydrophobicContact CB-CD1 4.38Å; F390-V401 HydrophobicContact CB-CG1 4.24Å; F390-V401 HydrophobicContact CD1-CG1 3.99Å; F390-V401 HydrophobicContact CG-CG1 4.37Å; F390-I402 WeakPolarHBondContact CA-O 3.41Å; F390-N403 HydrophobicContact CD1-CB 4.01Å; F390-N403 HydrophobicContact CE1-CB 3.74Å; F390-V410 HydrophobicContact CE1-CG2 4.16Å
391	V	94.7	Very high	91.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.8	174.1	165.4	0	0	0	0	107.9	A317 I327 I382 F384 Y393 I402 V404	A317-V391 HydrophobicContact CB-CG2 4.41Å; I327-V391 HydrophobicContact CD1-CG2 4.1Å; I382-V391 HydrophobicContact CD1-CG1 3.57Å; I382-V391 HydrophobicContact CG1-CG1 3.72Å; F384-V391 HydrophobicContact CD1-CG2 3.56Å; F384-V391 HydrophobicContact CE1-CG2 3.21Å; F384-V391 HydrophobicContact CE2-CG2 4.27Å; F384-V391 HydrophobicContact CG-CG2 4.24Å; F384-V391 HydrophobicContact CZ-CG2 3.62Å; V391-Y393 HydrophobicContact CG1-CD1 3.86Å; V391-Y393 HydrophobicContact CG1-CE1 4.19Å; V391-I402 PolarHBondContact N-O 2.71Å; V391-I402 PolarHBondContact O-N 2.84Å; V391-V404 HydrophobicContact CB-CG2 4.07Å; V391-V404 HydrophobicContact CG2-CG2 3.42Å; V391-V404 VanDerWaalsContact CG2-CG2 3.42Å
392	L	95	Very high	91.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	-179.1	-57.5	86.4	0	0	0	109.8	L97 I383 D385 F390 K400 V401 I459	L97-L392 HydrophobicContact CD2-CD2 4.41Å; I383-L392 HydrophobicContact CD1-CB 4.29Å; I383-L392 HydrophobicContact CG1-CB 3.79Å; I383-L392 HydrophobicContact CG1-CD1 4.45Å; I383-L392 PolarHBondContact N-O 2.79Å; I383-L392 PolarHBondContact O-N 2.76Å; D385-L392 HydrophobicContact CB-CD1 4.46Å; F390-L392 HydrophobicContact CB-CD1 4.38Å; L392-K400 WeakPolarHBondContact CA-O 3.47Å; L392-V401 HydrophobicContact CD2-CG2 3.86Å; L392-V401 HydrophobicContact CG-CG1 4.34Å; L392-V401 HydrophobicContact CG-CG2 4.14Å; L392-I459 HydrophobicContact CD2-CD1 3.37Å; L392-I459 HydrophobicContact CD2-CG1 4.36Å
393	Y	94.6	Very high	91.8	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.012	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156	174.8	56.8	-93.4	0	0	0	111.9	I319 V325 E341 I382 V391 T395 K400 I402 L424	I319-Y393 HydrophobicContact CD1-CG 4.19Å; V325-Y393 HydrophobicContact CB-CE1 4.28Å; V325-Y393 HydrophobicContact CG1-CD1 4.45Å; V325-Y393 HydrophobicContact CG1-CE1 4.17Å; V325-Y393 HydrophobicContact CG2-CD1 4.11Å; V325-Y393 HydrophobicContact CG2-CD2 4.17Å; V325-Y393 HydrophobicContact CG2-CE1 3.73Å; V325-Y393 HydrophobicContact CG2-CE2 3.82Å; V325-Y393 HydrophobicContact CG2-CG 4.3Å; E341-Y393 HydrophobicContact CG-CE2 3.75Å; E341-Y393 PolarHBondContact OE1-OH 2.89Å; I382-Y393 HydrophobicContact CD1-CD1 4.14Å; I382-Y393 HydrophobicContact CG1-CD1 4.48Å; V391-Y393 HydrophobicContact CG1-CD1 3.86Å; V391-Y393 HydrophobicContact CG1-CE1 4.19Å; Y393-T395 HydrophobicContact CD2-CG2 3.54Å; Y393-T395 HydrophobicContact CE2-CG2 3.35Å; Y393-K400 HydrophobicContact CE2-CB 4.4Å; Y393-K400 HydrophobicContact CE2-CD 4.48Å; Y393-K400 PolarHBondContact N-O 3.25Å; Y393-K400 PolarHBondContact O-N 3.23Å; Y393-I402 HydrophobicContact CE1-CD1 3.76Å; Y393-I402 HydrophobicContact CE1-CG1 4.26Å; Y393-I402 WeakPolarHBondContact OH-CD1 3.43Å; Y393-L424 VanDerWaalsContact C-CD1 3.44Å
394	G	93	Very high	91.6	Very high	9 Å²	9	13.8 Å²	13.8	9%	0.093	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.9	-178.9	0	0	0	0	0	111.8	R420	G394-R420 PolarHBondContact O-NH1 2.85Å
395	T	91.7	Very high	91.3	Very high	4 Å²	4	16 Å²	16	3%	0.025	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	175.7	177.1	67.6	0	0	0	0	111.4	E341 Y393 L397 G398 K400	E341-T395 HydrophobicContact CG-CG2 4.4Å; Y393-T395 HydrophobicContact CD2-CG2 3.54Å; Y393-T395 HydrophobicContact CE2-CG2 3.35Å; T395-L397 PolarHBondContact O-N 2.87Å; T395-L397 PolarHBondContact OG1-N 3.16Å; T395-G398 WeakPolarHBondContact CA-O 3.16Å; T395-G398 PolarHBondContact N-O 2.65Å; T395-G398 PolarHBondContact O-N 2.9Å; T395-G398 VanDerWaalsContact O-N 3.12Å; T395-G398 PolarHBondContact OG1-O 3.39Å; T395-K400 HydrophobicContact CG2-CB 4.46Å; T395-K400 HydrophobicContact CG2-CD 3.85Å; T395-K400 HydrophobicContact CG2-CG 3.96Å
396	M	89.4	Confident	91.1	Very high	5 Å²	5	17 Å²	17	3%	0.025	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.9	172	-178.8	-169.3	162.4	0	0	112.9	F346 F361 R364 M365 E368	F346-M396 HydrophobicContact CB-SD 4.46Å; F346-M396 HydrophobicContact CD2-SD 4.48Å; F346-M396 HydrophobicContact CE2-CB 4.31Å; F346-M396 HydrophobicContact CG-SD 4.38Å; F346-M396 HydrophobicContact CZ-CB 4.47Å; F361-M396 HydrophobicContact CD2-CE 3.54Å; F361-M396 HydrophobicContact CE2-CE 3.55Å; F361-M396 HydrophobicContact CE2-SD 4.32Å; F361-M396 HydrophobicContact CG-CE 4.08Å; F361-M396 HydrophobicContact CZ-CE 4.09Å; F361-M396 WeakPolarHBondContact O-CE 3.37Å; R364-M396 HydrophobicContact CB-CE 3.5Å; R364-M396 HydrophobicContact CB-CG 3.87Å; R364-M396 WeakPolarHBondContact CD-O 3.38Å; R364-M396 PolarHBondContact NH1-O 3.07Å; R364-M396 VanDerWaalsContact NH1-O 3.16Å; M365-M396 HydrophobicContact CB-CE 4.36Å; M365-M396 HydrophobicContact CG-CE 3.53Å; M365-M396 HydrophobicContact CG-SD 4.21Å; M365-M396 HydrophobicContact SD-CE 3.79Å; M365-M396 HydrophobicContact SD-SD 3.66Å; M365-M396 VanDerWaalsContact SD-SD 3.66Å; E368-M396 HydrophobicContact CG-CB 4.02Å; E368-M396 HydrophobicContact CG-CG 3.99Å
397	L	89.9	Confident	91.2	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.1	-180	-64	177.1	0	0	0	112.8	F346 L356 R364 T395 I412 K415	F346-L397 HydrophobicContact CD1-CD1 4.29Å; F346-L397 HydrophobicContact CD1-CG 4.33Å; F346-L397 HydrophobicContact CE1-CD1 3.74Å; F346-L397 HydrophobicContact CE1-CG 3.83Å; L356-L397 HydrophobicContact CD1-CD2 3.62Å; L356-L397 HydrophobicContact CG-CD2 4.14Å; R364-L397 PolarHBondContact NH1-O 3.07Å; T395-L397 PolarHBondContact O-N 2.87Å; T395-L397 PolarHBondContact OG1-N 3.16Å; L397-I412 HydrophobicContact CB-CG2 4.38Å; L397-I412 HydrophobicContact CD1-CD1 4.43Å; L397-K415 VanDerWaalsContact O-CA 3.31Å; L397-K415 WeakPolarHBondContact O-CA 3.3Å
398	G	91.6	Very high	91.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136	-160.6	-169.4	0	0	0	0	0	111.4	T395 K400 L413	T395-G398 WeakPolarHBondContact CA-O 3.16Å; T395-G398 PolarHBondContact N-O 2.65Å; T395-G398 PolarHBondContact O-N 2.9Å; T395-G398 VanDerWaalsContact O-N 3.12Å; T395-G398 PolarHBondContact OG1-O 3.39Å; G398-K400 PolarHBondContact O-N 2.77Å; G398-L413 CarbonylContact C-O 3.59Å; G398-L413 WeakPolarHBondContact CA-O 3.1Å
399	I	94.6	Very high	91.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.5	-178.9	-49	174.4	0	0	0	108.4	I412 L413 V421 L424 I459 C461 F472	I399-I412 CarbonylContact O-C 3.53Å; I399-I412 WeakPolarHBondContact O-CA 3.22Å; I399-L413 HydrophobicContact CB-CB 4.18Å; I399-L413 PolarHBondContact N-O 3.23Å; I399-L413 PolarHBondContact O-N 3.38Å; I399-V421 HydrophobicContact CD1-CG1 4.37Å; I399-V421 HydrophobicContact CD1-CG2 4.31Å; I399-V421 HydrophobicContact CG1-CB 4.28Å; I399-V421 HydrophobicContact CG1-CG1 4.14Å; I399-V421 HydrophobicContact CG1-CG2 3.98Å; I399-L424 HydrophobicContact CB-CD2 4.47Å; I399-L424 HydrophobicContact CD1-CD2 3.5Å; I399-L424 HydrophobicContact CG1-CD2 3.8Å; I399-L424 HydrophobicContact CG2-CD1 4.11Å; I399-L424 HydrophobicContact CG2-CD2 3.88Å; I399-I459 HydrophobicContact CD1-CG2 3.93Å; I399-C461 HydrophobicContact CD1-CB 4.39Å; I399-F472 HydrophobicContact CD1-CD2 4.01Å; I399-F472 HydrophobicContact CD1-CE2 4.04Å
400	K	94.2	Very high	91.5	Very high	16 Å²	16	21.1 Å²	21.1	7%	0.07	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133	176	-71.9	-169.8	-179.8	176.9	0	110.2	E341 L392 Y393 T395 G398 I402 I412	E341-K400 WeakPolarHBondContact OE1-CD 3.36Å; E341-K400 IonicContact OE1-NZ 4Å; E341-K400 PolarHBondContact OE1-NZ 2.61Å; E341-K400 IonicContact OE2-NZ 3.94Å; E341-K400 PolarHBondContact OE2-NZ 3.27Å; L392-K400 WeakPolarHBondContact CA-O 3.47Å; Y393-K400 HydrophobicContact CE2-CB 4.4Å; Y393-K400 HydrophobicContact CE2-CD 4.48Å; Y393-K400 PolarHBondContact N-O 3.25Å; Y393-K400 PolarHBondContact O-N 3.23Å; T395-K400 HydrophobicContact CG2-CB 4.46Å; T395-K400 HydrophobicContact CG2-CD 3.85Å; T395-K400 HydrophobicContact CG2-CG 3.96Å; G398-K400 PolarHBondContact O-N 2.77Å; K400-I402 HydrophobicContact CB-CG1 4.35Å; K400-I412 HydrophobicContact CG-CG1 4.31Å
401	V	94.6	Very high	91.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.8	169.6	-174.4	0	0	0	0	107.9	L97 F390 L392 V410 R411 L413	L97-V401 HydrophobicContact CD1-CG1 3.89Å; F390-V401 HydrophobicContact CB-CG1 4.24Å; F390-V401 HydrophobicContact CD1-CG1 3.99Å; F390-V401 HydrophobicContact CG-CG1 4.37Å; L392-V401 HydrophobicContact CD2-CG2 3.86Å; L392-V401 HydrophobicContact CG-CG1 4.34Å; L392-V401 HydrophobicContact CG-CG2 4.14Å; V401-V410 PolarHBondContact O-N 3.22Å; V401-R411 HydrophobicContact CB-CB 4.2Å; V401-R411 HydrophobicContact CG2-CB 4.21Å; V401-R411 PolarHBondContact N-O 3.12Å; V401-L413 HydrophobicContact CG2-CD1 4.38Å
402	I	94.1	Very high	91.3	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.7	-176.5	-59.2	-166	0	0	0	110.2	F339 F390 V391 Y393 K400 V404 C409	F339-I402 HydrophobicContact CD1-CD1 4.03Å; F339-I402 HydrophobicContact CD1-CG2 4.41Å; F339-I402 HydrophobicContact CE1-CD1 4.28Å; F339-I402 HydrophobicContact CE1-CG2 3.67Å; F339-I402 HydrophobicContact CE2-CG2 4.22Å; F339-I402 HydrophobicContact CG-CD1 4.2Å; F339-I402 HydrophobicContact CZ-CG2 3.57Å; F390-I402 WeakPolarHBondContact CA-O 3.41Å; V391-I402 PolarHBondContact N-O 2.71Å; V391-I402 PolarHBondContact O-N 2.84Å; Y393-I402 HydrophobicContact CE1-CD1 3.76Å; Y393-I402 HydrophobicContact CE1-CG1 4.26Å; Y393-I402 WeakPolarHBondContact OH-CD1 3.43Å; K400-I402 HydrophobicContact CB-CG1 4.35Å; I402-V404 PolarHBondContact O-N 3.28Å; I402-C409 HydrophobicContact CG1-CB 4.45Å
403	N	92.7	Very high	91.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.3	169.2	-177.7	-27.3	0	0	0	109.2	E90 F390 E405 T406 N407 R408 V410	E90-N403 PolarHBondContact OE1-ND2 3.09Å; F390-N403 HydrophobicContact CD1-CB 4.01Å; F390-N403 HydrophobicContact CE1-CB 3.74Å; N403-E405 VanDerWaalsContact C-N 3.28Å; N403-E405 PolarHBondContact O-N 3.06Å; N403-E405 WeakPolarHBondContact OD1-CB 3.24Å; N403-E405 PolarHBondContact OD1-N 3.2Å; N403-T406 VanDerWaalsContact CB-OG1 3.31Å; N403-T406 WeakPolarHBondContact CB-OG1 3.47Å; N403-T406 PolarHBondContact ND2-OG1 3.05Å; N403-T406 PolarHBondContact OD1-N 2.92Å; N403-N407 WeakPolarHBondContact O-CA 3.37Å; N403-N407 PolarHBondContact O-N 3.39Å; N403-R408 PolarHBondContact N-O 3.23Å; N403-V410 HydrophobicContact CB-CG2 3.76Å
404	V	90.2	Very high	90.8	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.03	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-29	-176.3	179.6	0	0	0	0	112.1	K315 I327 M336 F384 H389 V391 I402	K315-V404 HydrophobicContact CD-CG1 4.3Å; I327-V404 HydrophobicContact CD1-CB 4.29Å; I327-V404 HydrophobicContact CD1-CG1 3.74Å; I327-V404 HydrophobicContact CD1-CG2 3.65Å; I327-V404 HydrophobicContact CG2-CG1 4.35Å; M336-V404 HydrophobicContact CE-CG1 4.18Å; F384-V404 HydrophobicContact CE1-CG2 4.4Å; H389-V404 WeakPolarHBondContact O-CB 3.21Å; H389-V404 WeakPolarHBondContact O-CG2 3.32Å; H389-V404 PolarHBondContact O-N 3.42Å; V391-V404 HydrophobicContact CB-CG2 4.07Å; V391-V404 HydrophobicContact CG2-CG2 3.42Å; V391-V404 VanDerWaalsContact CG2-CG2 3.42Å; I402-V404 PolarHBondContact O-N 3.28Å
405	E	87.5	Confident	90.6	Very high	66 Å²	66	29.4 Å²	29.4	31%	0.308	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-46.9	-177.5	-59.4	-133.1	173.4	0	0	112	L87 H389 N403	L87-E405 HydrophobicContact CD1-CG 4.35Å; H389-E405 IonicContact CE1-OE1 2.7Å; H389-E405 PolarHBondContact CE1-OE1 2.85Å; H389-E405 IonicContact ND1-OE1 2.68Å; H389-E405 PolarHBondContact ND1-OE1 2.65Å; H389-E405 VanDerWaalsContact ND1-OE1 3.11Å; N403-E405 VanDerWaalsContact C-N 3.28Å; N403-E405 PolarHBondContact O-N 3.06Å; N403-E405 WeakPolarHBondContact OD1-CB 3.24Å; N403-E405 PolarHBondContact OD1-N 3.2Å
406	T	85.8	Confident	90.3	Very high	22 Å²	22	35.1 Å²	35.1	14%	0.135	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.2	-176.4	68	0	0	0	0	113	N403 R408	N403-T406 VanDerWaalsContact CB-OG1 3.31Å; N403-T406 WeakPolarHBondContact CB-OG1 3.47Å; N403-T406 PolarHBondContact ND2-OG1 3.05Å; N403-T406 PolarHBondContact OD1-N 2.92Å; T406-R408 VanDerWaalsContact C-N 3.31Å; T406-R408 PolarHBondContact O-N 2.77Å
407	N	87.4	Confident	90.2	Very high	68 Å²	68	35.9 Å²	35.9	36%	0.364	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	37.7	-178.5	-160.7	64.1	0	0	0	112.9	F339 N403	F339-N407 WeakPolarHBondContact CE1-OD1 3.49Å; F339-N407 WeakPolarHBondContact CZ-OD1 3.25Å; N403-N407 WeakPolarHBondContact O-CA 3.37Å; N403-N407 PolarHBondContact O-N 3.39Å
408	R	88.3	Confident	90	Very high	129 Å²	129	40.2 Å²	40.2	49%	0.487	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	-178.9	-68.1	-173.9	176.5	-151.3	-4.2	110.6	R84 N403 T406 V410	R84-R408 VanDerWaalsContact CZ-NH1 3.32Å; R84-R408 VanDerWaalsContact NH1-NH2 3.17Å; N403-R408 PolarHBondContact N-O 3.23Å; T406-R408 VanDerWaalsContact C-N 3.31Å; T406-R408 PolarHBondContact O-N 2.77Å; R408-V410 PolarHBondContact O-N 3.46Å
409	C	89.6	Confident	89.9	Confident	60 Å²	60	41 Å²	41	41%	0.405	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.7	163.8	-176.4	0	0	0	0	107.7	I402 R411	I402-C409 HydrophobicContact CG1-CB 4.45Å; C409-R411 PolarHBondContact SG-O 3.27Å
410	V	90	Very high	89.8	Confident	48 Å²	48	42.5 Å²	42.5	29%	0.291	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-41	-175.1	-176.3	0	0	0	0	110.8	L94 F390 V401 N403 R408	L94-V410 HydrophobicContact CD1-CG1 3.63Å; L94-V410 HydrophobicContact CD2-CB 4.34Å; L94-V410 HydrophobicContact CD2-CG1 3.65Å; L94-V410 HydrophobicContact CG-CG1 4.29Å; F390-V410 HydrophobicContact CE1-CG2 4.16Å; V401-V410 PolarHBondContact O-N 3.22Å; N403-V410 HydrophobicContact CB-CG2 3.76Å; R408-V410 PolarHBondContact O-N 3.46Å
411	R	90.5	Very high	89.8	Confident	63 Å²	63	41.8 Å²	41.8	24%	0.238	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.6	177.6	-65.1	-176.7	-176.9	159.8	2.3	110.8	L94 L97 P98 V401 C409 L413	L94-R411 PolarHBondContact O-NH1 2.83Å; L97-R411 PolarHBondContact O-NH1 2.97Å; P98-R411 PolarHBondContact O-NH1 3.43Å; P98-R411 VanDerWaalsContact O-NH1 3.1Å; V401-R411 HydrophobicContact CB-CB 4.2Å; V401-R411 HydrophobicContact CG2-CB 4.21Å; V401-R411 PolarHBondContact N-O 3.12Å; C409-R411 PolarHBondContact SG-O 3.27Å; R411-L413 HydrophobicContact CB-CD2 4.43Å
412	I	92.2	Very high	89.6	Confident	51 Å²	51	42 Å²	42	26%	0.262	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111.2	167.8	-53.5	-179	0	0	0	106.8	L397 I399 K400 K415	L397-I412 HydrophobicContact CB-CG2 4.38Å; L397-I412 HydrophobicContact CD1-CD1 4.43Å; I399-I412 CarbonylContact O-C 3.53Å; I399-I412 WeakPolarHBondContact O-CA 3.22Å; K400-I412 HydrophobicContact CG-CG1 4.31Å; I412-K415 HydrophobicContact CG2-CB 4.11Å
413	L	92.4	Very high	89.6	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	147.7	179.3	-45.6	170.2	0	0	0	109.4	P98 S100 G398 I399 V401 R411 K415 I459 F472	P98-L413 HydrophobicContact CB-CD1 4.42Å; P98-L413 HydrophobicContact CG-CD1 3.81Å; S100-L413 WeakPolarHBondContact O-CD2 3.38Å; G398-L413 CarbonylContact C-O 3.59Å; G398-L413 WeakPolarHBondContact CA-O 3.1Å; I399-L413 HydrophobicContact CB-CB 4.18Å; I399-L413 PolarHBondContact N-O 3.23Å; I399-L413 PolarHBondContact O-N 3.38Å; V401-L413 HydrophobicContact CG2-CD1 4.38Å; R411-L413 HydrophobicContact CB-CD2 4.43Å; L413-K415 PolarHBondContact O-N 2.85Å; L413-I459 HydrophobicContact CD1-CD1 3.66Å; L413-F472 HydrophobicContact CB-CD1 4.27Å
414	G	87.9	Confident	89.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.01	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	18.9	-178.6	0	0	0	0	0	113.7	A101 Q416 E417	A101-G414 WeakPolarHBondContact O-CA 3.47Å; A101-G414 PolarHBondContact O-N 2.99Å; G414-Q416 VanDerWaalsContact C-N 3.26Å; G414-Q416 PolarHBondContact O-N 3.29Å; G414-E417 PolarHBondContact O-N 2.73Å; G414-E417 VanDerWaalsContact O-N 3.12Å
415	K	89.2	Confident	89.8	Confident	67 Å²	67	43.1 Å²	43.1	29%	0.291	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.6	-179.7	-172.9	179.4	174.2	-170.6	0	112.3	Q355 L356 R364 L397 I412 L413 E417	Q355-K415 VanDerWaalsContact O-CE 3.31Å; Q355-K415 WeakPolarHBondContact O-CE 3.38Å; Q355-K415 PolarHBondContact O-NZ 2.7Å; L356-K415 HydrophobicContact CD2-CG 4.4Å; R364-K415 PolarHBondContact NH2-O 3.25Å; L397-K415 VanDerWaalsContact O-CA 3.31Å; L397-K415 WeakPolarHBondContact O-CA 3.3Å; I412-K415 HydrophobicContact CG2-CB 4.11Å; L413-K415 PolarHBondContact O-N 2.85Å; K415-E417 VanDerWaalsContact C-N 3.3Å
416	Q	84.6	Confident	89.9	Confident	125 Å²	125	41.1 Å²	41.1	58%	0.584	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.7	179.5	-65.1	174.7	-6.4	0	0	112.8	G414	G414-Q416 VanDerWaalsContact C-N 3.26Å; G414-Q416 PolarHBondContact O-N 3.29Å
417	E	86.3	Confident	90	Very high	21 Å²	21	40.5 Å²	40.5	10%	0.098	20%	0.198	C	C	.	.	S	Bend	trans	-93	132.6	-177.7	-63.9	-68.3	175.3	0	0	110.5	M102 Y103 R364 G414 K415 I419 R487	M102-E417 WeakPolarHBondContact CB-OE1 3.34Å; Y103-E417 HydrophobicContact CD1-CG 3.89Å; Y103-E417 VanDerWaalsContact CE1-CD 3.42Å; Y103-E417 HydrophobicContact CE1-CG 4.18Å; Y103-E417 VanDerWaalsContact CE1-OE2 3.32Å; Y103-E417 WeakPolarHBondContact CE1-OE2 3.27Å; R364-E417 PolarHBondContact NH2-O 2.84Å; R364-E417 VanDerWaalsContact NH2-O 3.11Å; G414-E417 PolarHBondContact O-N 2.73Å; G414-E417 VanDerWaalsContact O-N 3.12Å; K415-E417 VanDerWaalsContact C-N 3.3Å; E417-I419 HydrophobicContact CB-CD1 4.38Å; E417-I419 HydrophobicContact CB-CG1 3.97Å; E417-I419 PolarHBondContact O-N 2.79Å; E417-R487 IonicContact OE1-CZ 3.78Å; E417-R487 IonicContact OE1-NH1 3.19Å; E417-R487 PolarHBondContact OE1-NH1 3.35Å; E417-R487 IonicContact OE1-NH2 3.05Å; E417-R487 IonicContact OE2-NH2 3.97Å
418	N	85.8	Confident	89.7	Confident	93 Å²	93	38.2 Å²	38.2	50%	0.497	19%	0.185	S	C	.	.			trans	-84.7	54.5	177.2	-170.6	21.6	0	0	0	111.4
419	I	90.2	Very high	88.8	Confident	19 Å²	19	32.7 Å²	32.7	10%	0.097	17%	0.168	C	C	.	.			trans	-124	132.8	177.4	63.6	176.8	0	0	0	110.6	E417 V421 A463 Y470 F472	E417-I419 HydrophobicContact CB-CD1 4.38Å; E417-I419 HydrophobicContact CB-CG1 3.97Å; E417-I419 PolarHBondContact O-N 2.79Å; I419-V421 HydrophobicContact CD1-CG2 4.23Å; I419-V421 HydrophobicContact CG1-CG2 4.22Å; I419-V421 PolarHBondContact O-N 2.96Å; I419-A463 HydrophobicContact CB-CB 4.1Å; I419-Y470 HydrophobicContact CD1-CD1 4.16Å; I419-Y470 HydrophobicContact CD1-CD2 3.9Å; I419-Y470 HydrophobicContact CD1-CE1 4.36Å; I419-Y470 HydrophobicContact CD1-CE2 4.13Å; I419-Y470 HydrophobicContact CD1-CG 3.92Å; I419-Y470 HydrophobicContact CG2-CE1 4.42Å; I419-F472 HydrophobicContact CD1-CE2 4.49Å; I419-F472 HydrophobicContact CD1-CZ 4.32Å
420	R	92.6	Very high	87.1	Confident	30 Å²	30	32.1 Å²	32.1	11%	0.113	16%	0.162	C	C	.	.			trans	-90.4	96.6	171.6	177.2	44.4	166.8	118.4	-8.5	109.5	V367 E368 L371 G394 V422 A463 F464	V367-R420 HydrophobicContact CG1-CB 3.9Å; V367-R420 HydrophobicContact CG1-CG 4.3Å; E368-R420 IonicContact OE1-CZ 3.78Å; E368-R420 IonicContact OE1-NE 2.68Å; E368-R420 PolarHBondContact OE1-NE 3.44Å; E368-R420 IonicContact OE1-NH2 3.6Å; E368-R420 PolarHBondContact OE1-NH2 3.14Å; E368-R420 IonicContact OE2-NE 3.4Å; E368-R420 IonicContact OE2-NH2 2.77Å; L371-R420 HydrophobicContact CD2-CG 4.5Å; G394-R420 PolarHBondContact O-NH1 2.85Å; R420-V422 PolarHBondContact O-N 3.3Å; R420-A463 CarbonylContact O-C 3.59Å; R420-A463 VanDerWaalsContact O-CA 3.24Å; R420-A463 WeakPolarHBondContact O-CA 3.37Å; R420-F464 HydrophobicContact CB-CB 4.23Å; R420-F464 HydrophobicContact CG-CB 4.27Å; R420-F464 PolarHBondContact O-N 3.09Å
421	V	93.2	Very high	84.7	Confident	2 Å²	2	34 Å²	34	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.8	178.9	177.8	0	0	0	0	110.7	I399 I419 L424 C461 S462	I399-V421 HydrophobicContact CD1-CG1 4.37Å; I399-V421 HydrophobicContact CD1-CG2 4.31Å; I399-V421 HydrophobicContact CG1-CB 4.28Å; I399-V421 HydrophobicContact CG1-CG1 4.14Å; I399-V421 HydrophobicContact CG1-CG2 3.98Å; I419-V421 HydrophobicContact CD1-CG2 4.23Å; I419-V421 HydrophobicContact CG1-CG2 4.22Å; I419-V421 PolarHBondContact O-N 2.96Å; V421-L424 HydrophobicContact CG1-CD2 3.53Å; V421-L424 HydrophobicContact CG1-CG 4.01Å; V421-C461 HydrophobicContact CG1-CB 3.59Å; V421-S462 CarbonylContact C-O 3.54Å; V421-S462 WeakPolarHBondContact CA-O 3.22Å
422	V	91.5	Very high	82.3	Confident	6 Å²	6	39 Å²	39	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-57.9	-178.7	178	0	0	0	0	110.3	L371 L379 T380 N381 R420 S462 F464	L371-V422 HydrophobicContact CD1-CG2 4.45Å; L379-V422 VanDerWaalsContact C-CG1 3.43Å; L379-V422 HydrophobicContact CB-CG1 3.34Å; T380-V422 VanDerWaalsContact CA-O 3.32Å; T380-V422 WeakPolarHBondContact CA-O 3.44Å; T380-V422 HydrophobicContact CG2-CG1 4.07Å; N381-V422 PolarHBondContact N-O 2.91Å; R420-V422 PolarHBondContact O-N 3.3Å; V422-S462 PolarHBondContact N-O 3.21Å; V422-F464 HydrophobicContact CG2-CB 3.74Å
423	Q	93.9	Very high	79.9	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.065	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.4	174.5	-68.6	-155.5	4.4	0	0	113.2	T114 H115 L116 L379 N381 C461 S462	T114-Q423 PolarHBondContact O-NE2 2.77Å; H115-Q423 PolarHBondContact ND1-NE2 2.47Å; L116-Q423 HydrophobicContact CB-CB 4.42Å; L379-Q423 WeakPolarHBondContact O-CG 3.43Å; L379-Q423 PolarHBondContact O-NE2 3.16Å; N381-Q423 WeakPolarHBondContact OD1-CA 3.44Å; Q423-C461 CarbonylContact O-C 3.52Å; Q423-C461 WeakPolarHBondContact O-CA 3.33Å; Q423-C461 WeakPolarHBondContact O-CB 3.19Å; Q423-S462 WeakPolarHBondContact CB-OG 3.23Å; Q423-S462 PolarHBondContact N-OG 3.39Å; Q423-S462 PolarHBondContact O-N 2.88Å
424	L	94.1	Very high	77.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.7	-179.2	-64.8	165.6	0	0	0	110	N381 I383 Y393 I399 V421 I459 F460 C461	N381-L424 PolarHBondContact ND2-O 2.95Å; N381-L424 PolarHBondContact OD1-N 3.14Å; I383-L424 HydrophobicContact CD1-CB 4.03Å; Y393-L424 VanDerWaalsContact C-CD1 3.44Å; I399-L424 HydrophobicContact CB-CD2 4.47Å; I399-L424 HydrophobicContact CD1-CD2 3.5Å; I399-L424 HydrophobicContact CG1-CD2 3.8Å; I399-L424 HydrophobicContact CG2-CD1 4.11Å; I399-L424 HydrophobicContact CG2-CD2 3.88Å; V421-L424 HydrophobicContact CG1-CD2 3.53Å; V421-L424 HydrophobicContact CG1-CG 4.01Å; L424-I459 HydrophobicContact CD2-CG2 3.85Å; L424-F460 CarbonylContact C-O 3.6Å; L424-F460 WeakPolarHBondContact CA-O 3.4Å; L424-C461 HydrophobicContact CD2-CB 3.74Å
425	C	92.4	Very high	75.3	Confident	17 Å²	17	55.6 Å²	55.6	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.9	159.6	-159	0	0	0	0	110.6	L116 C118 I459 F460	L116-C425 HydrophobicContact CD2-CB 3.18Å; C118-C425 HydrophobicContact CB-CB 4.21Å; C118-C425 WeakPolarHBondContact CB-SG 3.41Å; C118-C425 PolarHBondContact N-SG 3.01Å; C425-I459 CarbonylContact O-C 3.52Å; C425-I459 WeakPolarHBondContact O-CA 3.42Å; C425-F460 PolarHBondContact N-O 2.68Å; C425-F460 PolarHBondContact O-N 3.34Å
426	L	91	Very high	73.2	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.126	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.8	-176.6	179.7	68.3	0	0	0	109	L97 I383 D385 Q428 I459	L97-L426 HydrophobicContact CD2-CD1 4.06Å; L97-L426 HydrophobicContact CD2-CD2 3.88Å; I383-L426 HydrophobicContact CD1-CB 3.64Å; D385-L426 HydrophobicContact CB-CD2 4.21Å; L426-Q428 HydrophobicContact CD1-CG 3.99Å; L426-Q428 VanDerWaalsContact CD2-CD 3.46Å; L426-Q428 HydrophobicContact CD2-CG 3.66Å; L426-Q428 VanDerWaalsContact CD2-OE1 3.3Å; L426-Q428 HydrophobicContact CG-CG 3.57Å; L426-I459 HydrophobicContact CD1-CD1 4.25Å; L426-I459 HydrophobicContact CD1-CG1 3.48Å; L426-I459 VanDerWaalsContact CD1-CG1 3.48Å
427	F	88	Confident	71.6	Confident	9 Å²	9	55.9 Å²	55.9	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.8	170.1	175	-92	0	0	0	107.2	D122 K138 V430 P457 T458 F460	D122-F427 HydrophobicContact CB-CE2 3.75Å; D122-F427 HydrophobicContact CB-CZ 4.4Å; D122-F427 WeakPolarHBondContact OD1-CE2 3.34Å; K138-F427 HydrophobicContact CB-CE1 4.48Å; K138-F427 HydrophobicContact CB-CZ 4.42Å; K138-F427 HydrophobicContact CD-CD1 3.48Å; K138-F427 VanDerWaalsContact CD-CD1 3.48Å; K138-F427 HydrophobicContact CD-CE1 3.54Å; K138-F427 HydrophobicContact CD-CG 4.17Å; K138-F427 HydrophobicContact CD-CZ 4.28Å; K138-F427 HydrophobicContact CG-CE1 4.41Å; F427-V430 HydrophobicContact CZ-CG2 4.21Å; F427-P457 CarbonylContact O-C 3.3Å; F427-P457 VanDerWaalsContact O-CA 3.3Å; F427-P457 WeakPolarHBondContact O-CA 3.24Å; F427-T458 PolarHBondContact N-O 3.41Å; F427-T458 PolarHBondContact O-N 2.97Å; F427-F460 HydrophobicContact CB-CD2 4.4Å; F427-F460 HydrophobicContact CB-CE2 3.98Å
428	Q	80.8	Confident	70.3	Confident	19 Å²	19	56.6 Å²	56.6	9%	0.089	33%	0.328	C	S	.	.			trans	-106.2	24.2	-177.3	-59.4	-168.7	-100.6	0	0	114.1	N96 E386 L426	N96-Q428 PolarHBondContact O-NE2 2.84Å; E386-Q428 VanDerWaalsContact CB-OE1 3.26Å; E386-Q428 HydrophobicContact CG-CB 4.5Å; E386-Q428 VanDerWaalsContact CG-OE1 3.22Å; L426-Q428 HydrophobicContact CD1-CG 3.99Å; L426-Q428 VanDerWaalsContact CD2-CD 3.46Å; L426-Q428 HydrophobicContact CD2-CG 3.66Å; L426-Q428 VanDerWaalsContact CD2-OE1 3.3Å; L426-Q428 HydrophobicContact CG-CG 3.57Å
429	G	68.4	Low	69.2	Low	13 Å²	13	55.7 Å²	55.7	13%	0.134	33%	0.326	C	S	.	.			trans	95.3	158.8	171.6	0	0	0	0	0	113.8	A431	G429-A431 PolarHBondContact O-N 2.82Å
430	V	53.8	Low	68.1	Low	48 Å²	48	58.3 Å²	58.3	29%	0.291	34%	0.339	S	S	.	.			trans	-73	115.7	175.9	-171.1	0	0	0	0	106	E140 F427 K432	E140-V430 HydrophobicContact CG-CG2 4.08Å; E140-V430 WeakPolarHBondContact OE1-CB 3.37Å; F427-V430 HydrophobicContact CZ-CG2 4.21Å; V430-K432 PolarHBondContact O-N 3.29Å
431	A	40.2	Very low	66.8	Low	88 Å²	88	63.6 Å²	63.6	73%	0.727	37%	0.365	S	S	*	.			trans	-64.1	87.8	148.2	0	0	0	0	0	105.7	G429 A433	G429-A431 PolarHBondContact O-N 2.82Å; A431-A433 PolarHBondContact O-N 3.36Å
432	K	39.9	Very low	65.4	Low	169 Å²	169	67.9 Å²	67.9	74%	0.735	39%	0.386	S	S	*	.			trans	-59.2	95	138.2	-100.1	-175.7	-176.9	165.7	0	101.1	V430 M434	V430-K432 PolarHBondContact O-N 3.29Å; K432-M434 PolarHBondContact O-N 2.8Å
433	A	41.2	Very low	64.1	Low	79 Å²	79	72 Å²	72	65%	0.653	40%	0.404	S	S	*	.			trans	-55.4	98.8	172.9	0	0	0	0	0	104.3	A431 E435	A431-A433 PolarHBondContact O-N 3.36Å; A433-E435 PolarHBondContact O-N 3.36Å
434	M	39.9	Very low	62.5	Low	122 Å²	122	73.1 Å²	73.1	60%	0.601	42%	0.415	S	S	*	.			trans	-45.9	125.7	131.2	-70.8	-175.1	107.2	0	0	103.5	K432 V436	K432-M434 PolarHBondContact O-N 2.8Å; M434-V436 VanDerWaalsContact CB-O 3.31Å; M434-V436 WeakPolarHBondContact CB-O 3.32Å; M434-V436 CarbonylContact O-C 3.56Å; M434-V436 VanDerWaalsContact O-C 3.3Å; M434-V436 PolarHBondContact O-N 3.47Å
435	E	44.8	Very low	61.2	Low	202 Å²	202	75.9 Å²	75.9	94%	0.944	44%	0.435	S	S	*	.	S	Bend	trans	-50.5	-14.5	-178.6	-69.5	-172.3	147.9	0	0	112.3	A433	A433-E435 PolarHBondContact O-N 3.36Å
436	V	44.4	Very low	59.8	Low	115 Å²	115	82.1 Å²	82.1	70%	0.697	47%	0.467	S	S	*	.	S	Bend	trans	-124.4	118.7	166.5	-174.3	0	0	0	0	110.2	M434	M434-V436 VanDerWaalsContact CB-O 3.31Å; M434-V436 WeakPolarHBondContact CB-O 3.32Å; M434-V436 CarbonylContact O-C 3.56Å; M434-V436 VanDerWaalsContact O-C 3.3Å; M434-V436 PolarHBondContact O-N 3.47Å
437	A	51.8	Low	58.8	Low	82 Å²	82	84.2 Å²	84.2	68%	0.678	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-60.7	126	167	0	0	0	0	0	109.3	T439	A437-T439 PolarHBondContact O-N 2.84Å
438	P	58.3	Low	57.7	Low	36 Å²	36	88 Å²	88	23%	0.234	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-61.2	136.3	-179.2	22.4	-31.3	0	0	0	110.1	K443 L450	P438-K443 HydrophobicContact CB-CG 4.26Å; P438-K443 HydrophobicContact CG-CD 4.48Å; P438-K443 HydrophobicContact CG-CG 4.15Å; P438-L450 HydrophobicContact CB-CD1 4.41Å; P438-L450 HydrophobicContact CB-CD2 4.15Å; P438-L450 HydrophobicContact CG-CD2 4.23Å
439	T	63.7	Low	56.8	Low	74 Å²	74	90.6 Å²	90.6	45%	0.454	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-63.4	152.9	179.1	58.1	0	0	0	0	110.3	A437 E441 M442 K443	A437-T439 PolarHBondContact O-N 2.84Å; T439-E441 PolarHBondContact O-N 2.79Å; T439-M442 WeakPolarHBondContact O-CA 3.46Å; T439-M442 WeakPolarHBondContact O-CB 3.48Å; T439-M442 PolarHBondContact O-N 2.82Å; T439-M442 WeakPolarHBondContact OG1-CG 3.4Å; T439-M442 PolarHBondContact OG1-N 2.91Å; T439-M442 PolarHBondContact OG1-SD 2.88Å; T439-K443 PolarHBondContact O-N 3.03Å
440	I	65.3	Low	56.4	Low	74 Å²	74	91.9 Å²	91.9	38%	0.379	53%	0.532	S	S	.	.	H	α-helix	trans	-56.2	-37.9	-178.9	-65.1	153.3	0	0	0	110.9	F89 Y93 M442 K443 A444	F89-I440 HydrophobicContact CB-CG2 3.91Å; F89-I440 HydrophobicContact CD2-CG2 3.91Å; F89-I440 HydrophobicContact CG-CG2 3.9Å; Y93-I440 HydrophobicContact CE1-CD1 4.25Å; Y93-I440 HydrophobicContact CE1-CG1 4.41Å; Y93-I440 WeakPolarHBondContact OH-CD1 3.36Å; I440-M442 PolarHBondContact O-N 2.93Å; I440-K443 PolarHBondContact O-N 2.94Å; I440-A444 WeakPolarHBondContact O-CB 3.4Å; I440-A444 PolarHBondContact O-N 2.54Å
441	E	65.6	Low	56.6	Low	141 Å²	141	95.1 Å²	95.1	66%	0.659	54%	0.544	S	S	*	.	H	α-helix	trans	-65.3	-35.8	175.9	-62.9	174.3	-177.3	0	0	112.7	F89 T439 A444 S445	F89-E441 HydrophobicContact CZ-CG 4.32Å; T439-E441 PolarHBondContact O-N 2.79Å; E441-A444 PolarHBondContact O-N 2.79Å; E441-S445 PolarHBondContact O-N 2.92Å
442	M	63.8	Low	57.2	Low	92 Å²	92	97.8 Å²	97.8	45%	0.453	55%	0.546	S	S	.	.	H	α-helix	trans	-72.1	-34.7	175.3	-75.6	174.7	68.8	0	0	112.6	T439 I440 S445 L450	T439-M442 WeakPolarHBondContact O-CA 3.46Å; T439-M442 WeakPolarHBondContact O-CB 3.48Å; T439-M442 PolarHBondContact O-N 2.82Å; T439-M442 WeakPolarHBondContact OG1-CG 3.4Å; T439-M442 PolarHBondContact OG1-N 2.91Å; T439-M442 PolarHBondContact OG1-SD 2.88Å; I440-M442 PolarHBondContact O-N 2.93Å; M442-S445 PolarHBondContact O-OG 3.32Å; M442-L450 HydrophobicContact CB-CD1 4.39Å; M442-L450 WeakPolarHBondContact O-CD1 3.23Å
443	K	64	Low	58.1	Low	93 Å²	93	94.7 Å²	94.7	40%	0.404	54%	0.541	S	S	.	.	H	α-helix	trans	-71.4	-32	171.5	-71.8	-167	178.9	-169.7	0	112.2	V92 P438 T439 I440	V92-K443 HydrophobicContact CG1-CB 3.99Å; V92-K443 HydrophobicContact CG1-CD 4.45Å; P438-K443 HydrophobicContact CB-CG 4.26Å; P438-K443 HydrophobicContact CG-CD 4.48Å; P438-K443 HydrophobicContact CG-CG 4.15Å; T439-K443 PolarHBondContact O-N 3.03Å; I440-K443 PolarHBondContact O-N 2.94Å
444	A	62	Low	59.2	Low	37 Å²	37	97.9 Å²	97.9	31%	0.306	54%	0.543	S	S	.	.	H	α-helix	trans	-75.3	-24.7	176.1	0	0	0	0	0	112.9	F89 V92 I440 E441	F89-A444 HydrophobicContact CD1-CB 3.62Å; F89-A444 HydrophobicContact CE1-CB 3.77Å; V92-A444 HydrophobicContact CG2-CB 4.01Å; I440-A444 WeakPolarHBondContact O-CB 3.4Å; I440-A444 PolarHBondContact O-N 2.54Å; E441-A444 PolarHBondContact O-N 2.79Å
445	S	65.1	Low	60.5	Low	59 Å²	59	93.7 Å²	93.7	41%	0.413	53%	0.525	S	S	.	.	S	Bend	trans	-77.2	122.1	167.5	68	0	0	0	0	108.8	E441 M442 N447	E441-S445 PolarHBondContact O-N 2.92Å; M442-S445 PolarHBondContact O-OG 3.32Å; S445-N447 PolarHBondContact O-N 3.02Å
446	D	63.7	Low	62.1	Low	149 Å²	149	85.1 Å²	85.1	80%	0.797	49%	0.485	S	S	*	.			trans	-63.7	65.1	178.6	-69.3	-42.4	0	0	0	112.2	P448	D446-P448 WeakPolarHBondContact O-CD 3.49Å
447	N	71.1	Confident	64.1	Low	67 Å²	67	79.6 Å²	79.6	36%	0.358	45%	0.452	S	S	.	.			trans	-85.3	118	-176.8	-170.1	-12.6	0	0	0	109.3	S445 A449 L450	S445-N447 PolarHBondContact O-N 3.02Å; N447-A449 PolarHBondContact O-N 3.09Å; N447-A449 PolarHBondContact OD1-N 3.34Å; N447-L450 HydrophobicContact CB-CD1 4.36Å; N447-L450 PolarHBondContact O-N 3.08Å
448	P	64.6	Low	65.9	Low	88 Å²	88	75.7 Å²	75.7	57%	0.571	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.1	-177.7	-25.5	34.9	0	0	0	114.5	D446 L450	D446-P448 WeakPolarHBondContact O-CD 3.49Å; P448-L450 VanDerWaalsContact C-N 3.33Å
449	A	61.9	Low	67.6	Low	74 Å²	74	74 Å²	74	61%	0.612	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.9	177.8	0	0	0	0	0	114	N447	N447-A449 PolarHBondContact O-N 3.09Å; N447-A449 PolarHBondContact OD1-N 3.34Å
450	L	59.9	Low	69	Low	41 Å²	41	70.5 Å²	70.5	22%	0.215	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.7	179.8	-70.7	170.8	0	0	0	112.9	P438 M442 N447 P448 N452 V453	P438-L450 HydrophobicContact CB-CD1 4.41Å; P438-L450 HydrophobicContact CB-CD2 4.15Å; P438-L450 HydrophobicContact CG-CD2 4.23Å; M442-L450 HydrophobicContact CB-CD1 4.39Å; M442-L450 WeakPolarHBondContact O-CD1 3.23Å; N447-L450 HydrophobicContact CB-CD1 4.36Å; N447-L450 PolarHBondContact O-N 3.08Å; P448-L450 VanDerWaalsContact C-N 3.33Å; L450-N452 PolarHBondContact O-N 2.84Å; L450-V453 PolarHBondContact O-N 2.92Å
451	Q	57.2	Low	70.4	Confident	115 Å²	115	67 Å²	67	54%	0.537	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.1	177.9	-74.5	176.5	-18	0	0	113.4	V453	Q451-V453 VanDerWaalsContact C-N 3.29Å; Q451-V453 PolarHBondContact O-N 3.46Å
452	N	52.6	Low	71.8	Confident	145 Å²	145	60.4 Å²	60.4	78%	0.775	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.9	-179.8	-71	-19.7	0	0	0	114.1	L450	L450-N452 PolarHBondContact O-N 2.84Å
453	V	58.8	Low	73.1	Confident	103 Å²	103	56.1 Å²	56.1	62%	0.624	32%	0.318	S	S	*	.			trans	-126.9	74.3	178.6	-171.6	0	0	0	0	108.3	L450 Q451 P455	L450-V453 PolarHBondContact O-N 2.92Å; Q451-V453 VanDerWaalsContact C-N 3.29Å; Q451-V453 PolarHBondContact O-N 3.46Å; V453-P455 WeakPolarHBondContact O-CD 3.39Å
454	E	63.9	Low	74.5	Confident	146 Å²	146	53.1 Å²	53.1	68%	0.682	31%	0.305	S	S	*	.			trans	-82.7	119	171.9	-71.1	-166.3	174.2	0	0	109.7
455	P	68.4	Low	75.8	Confident	35 Å²	35	56.6 Å²	56.6	23%	0.227	31%	0.313	C	S	.	.			trans	-65.8	139.8	171.2	27.9	-32.5	0	0	0	109.1	V453 P457 K474	V453-P455 WeakPolarHBondContact O-CD 3.39Å; P455-P457 VanDerWaalsContact C-CD 3.41Å; P455-P457 WeakPolarHBondContact O-CD 3.35Å; P455-K474 PolarHBondContact O-NZ 3.36Å
456	D	78.1	Confident	77	Confident	21 Å²	21	58.6 Å²	58.6	11%	0.112	31%	0.314	C	S	.	.			trans	-99.3	85.7	170.8	-179.5	28	0	0	0	109.9	K138 R475	K138-D456 WeakPolarHBondContact CE-OD2 3.24Å; K138-D456 VanDerWaalsContact NZ-CG 3.29Å; K138-D456 PolarHBondContact NZ-O 2.8Å; K138-D456 IonicContact NZ-OD1 3.73Å; K138-D456 IonicContact NZ-OD2 3.83Å; K138-D456 PolarHBondContact NZ-OD2 3.37Å; D456-R475 IonicContact OD2-NH2 3.6Å
457	P	87.2	Confident	78.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.			trans	-71	136.2	175.6	32.6	-37.6	0	0	0	110	N96 F427 P455 K474	N96-P457 WeakPolarHBondContact O-CB 3.41Å; F427-P457 CarbonylContact O-C 3.3Å; F427-P457 VanDerWaalsContact O-CA 3.3Å; F427-P457 WeakPolarHBondContact O-CA 3.24Å; P455-P457 VanDerWaalsContact C-CD 3.41Å; P455-P457 WeakPolarHBondContact O-CD 3.35Å; P457-K474 VanDerWaalsContact CD-CE 3.46Å; P457-K474 HydrophobicContact CG-CD 4.31Å; P457-K474 HydrophobicContact CG-CG 4.29Å
458	T	89.8	Confident	79.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.4	-173.9	-64	0	0	0	0	111	K138 F427 F460 M471 F472 T473	K138-T458 WeakPolarHBondContact CE-OG1 3.36Å; K138-T458 PolarHBondContact NZ-OG1 2.86Å; F427-T458 PolarHBondContact N-O 3.41Å; F427-T458 PolarHBondContact O-N 2.97Å; T458-F460 HydrophobicContact CG2-CD1 4.36Å; T458-F460 HydrophobicContact CG2-CD2 4.09Å; T458-F460 HydrophobicContact CG2-CE1 3.94Å; T458-F460 HydrophobicContact CG2-CE2 3.65Å; T458-F460 HydrophobicContact CG2-CG 4.43Å; T458-F460 HydrophobicContact CG2-CZ 3.58Å; T458-M471 HydrophobicContact CG2-CG 3.24Å; T458-M471 HydrophobicContact CG2-SD 4.02Å; T458-F472 CarbonylContact C-O 3.58Å; T458-F472 VanDerWaalsContact CA-O 3.27Å; T458-F472 WeakPolarHBondContact CA-O 3.13Å; T458-T473 HydrophobicContact CG2-CG2 3.91Å; T458-T473 WeakPolarHBondContact OG1-CG2 3.31Å
459	I	92.9	Very high	80.7	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.6	168.2	-70.2	165.8	0	0	0	108.2	P98 L392 I399 L413 L424 C425 L426 F472	P98-I459 HydrophobicContact CG-CB 4.17Å; P98-I459 HydrophobicContact CG-CD1 3.34Å; P98-I459 HydrophobicContact CG-CG1 3.59Å; L392-I459 HydrophobicContact CD2-CD1 3.37Å; L392-I459 HydrophobicContact CD2-CG1 4.36Å; I399-I459 HydrophobicContact CD1-CG2 3.93Å; L413-I459 HydrophobicContact CD1-CD1 3.66Å; L424-I459 HydrophobicContact CD2-CG2 3.85Å; C425-I459 CarbonylContact O-C 3.52Å; C425-I459 WeakPolarHBondContact O-CA 3.42Å; L426-I459 HydrophobicContact CD1-CD1 4.25Å; L426-I459 HydrophobicContact CD1-CG1 3.48Å; L426-I459 VanDerWaalsContact CD1-CG1 3.48Å; I459-F472 HydrophobicContact CB-CB 4.29Å; I459-F472 PolarHBondContact N-O 3.14Å; I459-F472 PolarHBondContact O-N 2.59Å
460	F	93.9	Very high	82.2	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.2	167.9	-64.9	-77.6	0	0	0	108.7	L116 I124 K138 I144 L424 C425 F427 T458 F469 Y470 M471	L116-F460 HydrophobicContact CD1-CB 3.95Å; L116-F460 HydrophobicContact CD2-CB 3.73Å; L116-F460 HydrophobicContact CG-CB 4.48Å; I124-F460 HydrophobicContact CD1-CD2 4.29Å; I124-F460 HydrophobicContact CD1-CE1 4.5Å; I124-F460 HydrophobicContact CD1-CE2 3.6Å; I124-F460 HydrophobicContact CD1-CZ 3.71Å; I124-F460 HydrophobicContact CG1-CD2 3.77Å; I124-F460 HydrophobicContact CG1-CE2 3.59Å; I124-F460 HydrophobicContact CG1-CG 4.37Å; I124-F460 HydrophobicContact CG1-CZ 4.07Å; I124-F460 HydrophobicContact CG2-CG 4.42Å; K138-F460 HydrophobicContact CD-CE2 4.32Å; K138-F460 HydrophobicContact CD-CZ 4.03Å; K138-F460 HydrophobicContact CG-CZ 4.42Å; I144-F460 HydrophobicContact CD1-CD1 4.44Å; I144-F460 HydrophobicContact CD1-CE1 3.68Å; I144-F460 HydrophobicContact CD1-CZ 4.04Å; L424-F460 CarbonylContact C-O 3.6Å; L424-F460 WeakPolarHBondContact CA-O 3.4Å; C425-F460 PolarHBondContact N-O 2.68Å; C425-F460 PolarHBondContact O-N 3.34Å; F427-F460 HydrophobicContact CB-CD2 4.4Å; F427-F460 HydrophobicContact CB-CE2 3.98Å; T458-F460 HydrophobicContact CG2-CD1 4.36Å; T458-F460 HydrophobicContact CG2-CD2 4.09Å; T458-F460 HydrophobicContact CG2-CE1 3.94Å; T458-F460 HydrophobicContact CG2-CE2 3.65Å; T458-F460 HydrophobicContact CG2-CG 4.43Å; T458-F460 HydrophobicContact CG2-CZ 3.58Å; F460-F469 HydrophobicContact CD1-CD2 4.13Å; F460-F469 HydrophobicContact CD1-CE2 4.11Å; F460-F469 HydrophobicContact CE1-CE2 4.46Å; F460-Y470 WeakPolarHBondContact CA-O 3.43Å; F460-M471 HydrophobicContact CD1-CB 4.27Å; F460-M471 HydrophobicContact CD1-CG 4.1Å; F460-M471 HydrophobicContact CE1-CB 4.12Å; F460-M471 HydrophobicContact CE1-CG 3.6Å; F460-M471 HydrophobicContact CE1-SD 3.79Å; F460-M471 HydrophobicContact CZ-CG 4.23Å; F460-M471 HydrophobicContact CZ-SD 4.18Å
461	C	94.4	Very high	83.7	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148	-179.9	75.1	0	0	0	0	113.7	I399 V421 Q423 L424 F469 Y470 F472	I399-C461 HydrophobicContact CD1-CB 4.39Å; V421-C461 HydrophobicContact CG1-CB 3.59Å; Q423-C461 CarbonylContact O-C 3.52Å; Q423-C461 WeakPolarHBondContact O-CA 3.33Å; Q423-C461 WeakPolarHBondContact O-CB 3.19Å; L424-C461 HydrophobicContact CD2-CB 3.74Å; C461-F469 CarbonylContact O-C 3.52Å; C461-F469 VanDerWaalsContact O-CA 3.25Å; C461-F469 WeakPolarHBondContact O-CA 3.41Å; C461-F469 WeakPolarHBondContact O-CB 3.27Å; C461-Y470 PolarHBondContact N-O 2.72Å; C461-Y470 PolarHBondContact O-N 3.37Å; C461-F472 VanDerWaalsContact SG-CE2 3.54Å
462	S	93.9	Very high	85.3	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	153	169.1	71.3	0	0	0	0	110.5	V421 V422 Q423	V421-S462 CarbonylContact C-O 3.54Å; V421-S462 WeakPolarHBondContact CA-O 3.22Å; V422-S462 PolarHBondContact N-O 3.21Å; Q423-S462 WeakPolarHBondContact CB-OG 3.23Å; Q423-S462 PolarHBondContact N-OG 3.39Å; Q423-S462 PolarHBondContact O-N 2.88Å
463	A	92.3	Very high	87	Confident	3 Å²	3	28.7 Å²	28.7	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.8	176.3	0	0	0	0	0	112.1	I419 R420 K465 K466 Y470	I419-A463 HydrophobicContact CB-CB 4.1Å; R420-A463 CarbonylContact O-C 3.59Å; R420-A463 VanDerWaalsContact O-CA 3.24Å; R420-A463 WeakPolarHBondContact O-CA 3.37Å; A463-K465 PolarHBondContact O-N 3.37Å; A463-K466 HydrophobicContact CB-CB 4.05Å; A463-K466 HydrophobicContact CB-CG 3.85Å; A463-K466 PolarHBondContact O-N 2.98Å; A463-Y470 HydrophobicContact CB-CD2 4.36Å; A463-Y470 HydrophobicContact CB-CE2 3.64Å
464	F	92.5	Very high	88.3	Confident	30 Å²	30	26.5 Å²	26.5	13%	0.132	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	126.8	179.3	-178.9	-120.2	0	0	0	111.4	V367 E370 L371 V374 R420 V422 K466	V367-F464 HydrophobicContact CG1-CD1 4.09Å; E370-F464 HydrophobicContact CG-CE1 4.31Å; L371-F464 HydrophobicContact CB-CZ 4.49Å; L371-F464 HydrophobicContact CD1-CB 4.29Å; L371-F464 HydrophobicContact CD1-CD1 4.27Å; L371-F464 HydrophobicContact CD1-CD2 3.27Å; L371-F464 HydrophobicContact CD1-CE1 4.43Å; L371-F464 HydrophobicContact CD1-CE2 3.49Å; L371-F464 VanDerWaalsContact CD1-CE2 3.49Å; L371-F464 HydrophobicContact CD1-CG 3.7Å; L371-F464 HydrophobicContact CD1-CZ 4.07Å; V374-F464 HydrophobicContact CB-CZ 4.47Å; R420-F464 HydrophobicContact CB-CB 4.23Å; R420-F464 HydrophobicContact CG-CB 4.27Å; R420-F464 PolarHBondContact O-N 3.09Å; V422-F464 HydrophobicContact CG2-CB 3.74Å; F464-K466 PolarHBondContact O-N 3.22Å
465	K	89.3	Confident	89.2	Confident	110 Å²	110	23.6 Å²	23.6	48%	0.478	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	28.4	-178.4	-64.8	-174.5	170.5	-172	0	114.5	E370 A463	E370-K465 IonicContact OE1-NZ 2.69Å; E370-K465 PolarHBondContact OE1-NZ 3.25Å; A463-K465 PolarHBondContact O-N 3.37Å
466	K	91.1	Very high	89.7	Confident	100 Å²	100	26.6 Å²	26.6	44%	0.435	12%	0.117	S	C	.	.			trans	-112.5	135.4	172.8	-61.5	-61.8	-175.6	177.2	0	109.8	I113 A463 F464 R468	I113-K466 PolarHBondContact N-O 2.78Å; A463-K466 HydrophobicContact CB-CB 4.05Å; A463-K466 HydrophobicContact CB-CG 3.85Å; A463-K466 PolarHBondContact O-N 2.98Å; F464-K466 PolarHBondContact O-N 3.22Å; K466-R468 PolarHBondContact O-N 2.86Å
467	N	90.9	Very high	89.4	Confident	13 Å²	13	26.9 Å²	26.9	7%	0.07	12%	0.119	C	C	.	.	S	Bend	trans	-82.8	22	170.7	67.9	-31.3	0	0	0	112.3	M108 H109 D111 E498	M108-N467 WeakPolarHBondContact CG-ND2 3.38Å; H109-N467 PolarHBondContact N-O 3.29Å; H109-N467 WeakPolarHBondContact O-CB 3.45Å; H109-N467 PolarHBondContact O-ND2 2.74Å; D111-N467 WeakPolarHBondContact O-CA 3.38Å; D111-N467 WeakPolarHBondContact O-CB 3.18Å; N467-E498 PolarHBondContact ND2-OE1 3.07Å; N467-E498 PolarHBondContact ND2-OE2 2.68Å; N467-E498 PolarHBondContact OD1-OE1 3.47Å
468	R	91.7	Very high	88.2	Confident	25 Å²	25	35.1 Å²	35.1	9%	0.094	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.7	-177.3	-65.5	177	-179.8	-113.4	8.5	110.8	S106 Y107 I113 K466 Y470 D488	S106-R468 PolarHBondContact OG-NH1 3.32Å; S106-R468 VanDerWaalsContact OG-NH1 3.08Å; Y107-R468 WeakPolarHBondContact O-CA 3.48Å; I113-R468 VanDerWaalsContact CD1-C 3.47Å; K466-R468 PolarHBondContact O-N 2.86Å; R468-Y470 HydrophobicContact CB-CE2 4.33Å; R468-D488 IonicContact CZ-OD2 2.91Å; R468-D488 IonicContact NH1-OD1 2.59Å; R468-D488 IonicContact NH1-OD2 2.96Å
469	F	93.5	Very high	86.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.8	162.1	69.9	-87.3	0	0	0	109.4	S106 Y107 I113 L116 T126 W136 I144 F460 C461	S106-F469 VanDerWaalsContact CA-O 3.3Å; S106-F469 WeakPolarHBondContact CA-O 2.93Å; Y107-F469 VanDerWaalsContact CB-CE1 3.41Å; Y107-F469 VanDerWaalsContact CB-CZ 3.43Å; Y107-F469 AromaticContact CD2-CE2 3.99Å; Y107-F469 HydrophobicContact CD2-CE2 3.99Å; Y107-F469 AromaticContact CD2-CZ 3.99Å; Y107-F469 HydrophobicContact CD2-CZ 3.99Å; Y107-F469 HydrophobicContact CG-CE1 4.32Å; Y107-F469 HydrophobicContact CG-CE2 4.31Å; Y107-F469 AromaticContact CG-CZ 3.84Å; Y107-F469 HydrophobicContact CG-CZ 3.84Å; Y107-F469 PolarHBondContact N-O 3.2Å; Y107-F469 PolarHBondContact O-N 3.21Å; Y107-F469 VanDerWaalsContact O-N 3.08Å; I113-F469 HydrophobicContact CD1-CB 3.79Å; I113-F469 HydrophobicContact CD1-CD1 3.7Å; I113-F469 HydrophobicContact CD1-CG 4.25Å; L116-F469 HydrophobicContact CD1-CB 3.94Å; L116-F469 HydrophobicContact CD1-CG 4.46Å; T126-F469 HydrophobicContact CG2-CD1 4.03Å; T126-F469 HydrophobicContact CG2-CE1 4.2Å; T126-F469 HydrophobicContact CG2-CG 4.36Å; W136-F469 HydrophobicContact CD2-CE1 4.22Å; W136-F469 AromaticContact CD2-CZ 3.86Å; W136-F469 HydrophobicContact CD2-CZ 3.86Å; W136-F469 AromaticContact CE2-CE1 3.58Å; W136-F469 AromaticContact CE2-CZ 3.72Å; W136-F469 HydrophobicContact CE3-CZ 4.16Å; W136-F469 HydrophobicContact CG-CZ 4.32Å; W136-F469 HydrophobicContact CH2-CE1 4Å; W136-F469 HydrophobicContact CH2-CZ 4.23Å; W136-F469 AromaticContact CZ2-CE1 3.49Å; W136-F469 HydrophobicContact CZ2-CE1 3.49Å; W136-F469 VanDerWaalsContact CZ2-CE1 3.49Å; W136-F469 AromaticContact CZ2-CZ 3.94Å; W136-F469 HydrophobicContact CZ2-CZ 3.94Å; W136-F469 HydrophobicContact CZ3-CZ 4.33Å; W136-F469 AromaticContact NE1-CE1 3.85Å; I144-F469 HydrophobicContact CD1-CE2 3.88Å; I144-F469 HydrophobicContact CD1-CZ 4.06Å; F460-F469 HydrophobicContact CD1-CD2 4.13Å; F460-F469 HydrophobicContact CD1-CE2 4.11Å; F460-F469 HydrophobicContact CE1-CE2 4.46Å; C461-F469 CarbonylContact O-C 3.52Å; C461-F469 VanDerWaalsContact O-CA 3.25Å; C461-F469 WeakPolarHBondContact O-CA 3.41Å; C461-F469 WeakPolarHBondContact O-CB 3.27Å
470	Y	93.1	Very high	85.3	Confident	12 Å²	12	41.7 Å²	41.7	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.6	-172.6	-53.9	-91.4	0	0	0	109.5	Y103 I419 F460 C461 A463 R468	Y103-Y470 AromaticContact CD1-CD1 3.87Å; Y103-Y470 HydrophobicContact CD1-CD1 3.87Å; Y103-Y470 AromaticContact CD2-CD1 3.92Å; Y103-Y470 HydrophobicContact CD2-CD1 3.92Å; Y103-Y470 AromaticContact CE1-CD1 3.9Å; Y103-Y470 HydrophobicContact CE1-CD1 3.9Å; Y103-Y470 HydrophobicContact CE1-CE1 4.12Å; Y103-Y470 AromaticContact CE2-CD1 3.92Å; Y103-Y470 HydrophobicContact CE2-CD1 3.92Å; Y103-Y470 HydrophobicContact CE2-CE1 4.34Å; Y103-Y470 AromaticContact CG-CD1 3.89Å; Y103-Y470 HydrophobicContact CG-CD1 3.89Å; Y103-Y470 AromaticContact CZ-CD1 3.93Å; I419-Y470 HydrophobicContact CD1-CD1 4.16Å; I419-Y470 HydrophobicContact CD1-CD2 3.9Å; I419-Y470 HydrophobicContact CD1-CE1 4.36Å; I419-Y470 HydrophobicContact CD1-CE2 4.13Å; I419-Y470 HydrophobicContact CD1-CG 3.92Å; I419-Y470 HydrophobicContact CG2-CE1 4.42Å; F460-Y470 WeakPolarHBondContact CA-O 3.43Å; C461-Y470 PolarHBondContact N-O 2.72Å; C461-Y470 PolarHBondContact O-N 3.37Å; A463-Y470 HydrophobicContact CB-CD2 4.36Å; A463-Y470 HydrophobicContact CB-CE2 3.64Å; R468-Y470 HydrophobicContact CB-CE2 4.33Å
471	M	91.3	Very high	83.1	Confident	1 Å²	1	52 Å²	52	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.5	-178.7	-170.5	178.3	74.8	0	0	109.8	Y103 E104 R105 T458 F460 T473	Y103-M471 CarbonylContact C-O 3.56Å; Y103-M471 WeakPolarHBondContact CA-O 3.12Å; Y103-M471 WeakPolarHBondContact CB-O 3.47Å; E104-M471 HydrophobicContact CB-CE 3.92Å; E104-M471 HydrophobicContact CG-CE 4Å; E104-M471 PolarHBondContact N-O 2.77Å; E104-M471 VanDerWaalsContact OE1-CE 3.26Å; E104-M471 WeakPolarHBondContact OE1-CE 3.5Å; R105-M471 HydrophobicContact CB-CE 4.28Å; R105-M471 WeakPolarHBondContact O-CB 3.46Å; R105-M471 PolarHBondContact O-N 3.2Å; T458-M471 HydrophobicContact CG2-CG 3.24Å; T458-M471 HydrophobicContact CG2-SD 4.02Å; F460-M471 HydrophobicContact CD1-CB 4.27Å; F460-M471 HydrophobicContact CD1-CG 4.1Å; F460-M471 HydrophobicContact CE1-CB 4.12Å; F460-M471 HydrophobicContact CE1-CG 3.6Å; F460-M471 HydrophobicContact CE1-SD 3.79Å; F460-M471 HydrophobicContact CZ-CG 4.23Å; F460-M471 HydrophobicContact CZ-SD 4.18Å; M471-T473 HydrophobicContact CE-CG2 3.72Å; M471-T473 HydrophobicContact CG-CG2 3.83Å; M471-T473 HydrophobicContact SD-CG2 4.12Å
472	F	91.1	Very high	80.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.4	173.1	-71.5	-93	0	0	0	109.3	P98 M102 I399 L413 I419 T458 I459 C461	P98-F472 WeakPolarHBondContact CB-O 3.25Å; M102-F472 VanDerWaalsContact C-CE1 3.47Å; M102-F472 VanDerWaalsContact O-CD1 3.31Å; M102-F472 WeakPolarHBondContact O-CD1 3.3Å; I399-F472 HydrophobicContact CD1-CD2 4.01Å; I399-F472 HydrophobicContact CD1-CE2 4.04Å; L413-F472 HydrophobicContact CB-CD1 4.27Å; I419-F472 HydrophobicContact CD1-CE2 4.49Å; I419-F472 HydrophobicContact CD1-CZ 4.32Å; T458-F472 CarbonylContact C-O 3.58Å; T458-F472 VanDerWaalsContact CA-O 3.27Å; T458-F472 WeakPolarHBondContact CA-O 3.13Å; I459-F472 HydrophobicContact CB-CB 4.29Å; I459-F472 PolarHBondContact N-O 3.14Å; I459-F472 PolarHBondContact O-N 2.59Å; C461-F472 VanDerWaalsContact SG-CE2 3.54Å
473	T	88.5	Confident	78.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.			trans	-116.6	-164.6	179.8	68.1	0	0	0	0	110.1	P98 S100 E104 T458 M471 R475	P98-T473 WeakPolarHBondContact CB-O 3.47Å; S100-T473 WeakPolarHBondContact CB-O 3.15Å; S100-T473 PolarHBondContact N-O 2.86Å; E104-T473 HydrophobicContact CB-CG2 4.26Å; E104-T473 VanDerWaalsContact OE2-CB 3.29Å; E104-T473 WeakPolarHBondContact OE2-CB 3.41Å; E104-T473 WeakPolarHBondContact OE2-CG2 3.35Å; E104-T473 PolarHBondContact OE2-OG1 3.41Å; T458-T473 HydrophobicContact CG2-CG2 3.91Å; T458-T473 WeakPolarHBondContact OG1-CG2 3.31Å; M471-T473 HydrophobicContact CE-CG2 3.72Å; M471-T473 HydrophobicContact CG-CG2 3.83Å; M471-T473 HydrophobicContact SD-CG2 4.12Å; T473-R475 VanDerWaalsContact C-N 3.34Å; T473-R475 PolarHBondContact OG1-N 3.38Å; T473-R475 VanDerWaalsContact OG1-N 3.07Å
474	K	85.8	Confident	76.5	Confident	58 Å²	58	67.6 Å²	67.6	25%	0.252	34%	0.342	S	S	.	.	S	Bend	trans	-77.7	-21.2	167.3	-70.5	175.6	172.4	168.2	0	113.4	D95 S99 P455 P457	D95-K474 WeakPolarHBondContact O-CE 3.43Å; D95-K474 PolarHBondContact O-NZ 3.31Å; S99-K474 WeakPolarHBondContact OG-CA 3.07Å; P455-K474 PolarHBondContact O-NZ 3.36Å; P457-K474 VanDerWaalsContact CD-CE 3.46Å; P457-K474 HydrophobicContact CG-CD 4.31Å; P457-K474 HydrophobicContact CG-CG 4.29Å
475	R	82.7	Confident	74.8	Confident	84 Å²	84	68.1 Å²	68.1	32%	0.317	35%	0.35	S	S	.	.	S	Bend	trans	-85.6	142.9	-173.4	-60.2	178.7	-69.8	-141.6	1.4	110.5	S100 E104 D456 T473	S100-R475 WeakPolarHBondContact CB-O 3.47Å; S100-R475 PolarHBondContact OG-O 2.88Å; S100-R475 VanDerWaalsContact OG-O 3.08Å; E104-R475 IonicContact OE1-CZ 3.51Å; E104-R475 IonicContact OE1-NE 3.37Å; E104-R475 IonicContact OE1-NH2 2.65Å; E104-R475 PolarHBondContact OE1-NH2 3.26Å; E104-R475 IonicContact OE2-CZ 2.8Å; E104-R475 IonicContact OE2-NE 3.65Å; E104-R475 PolarHBondContact OE2-NE 3.28Å; E104-R475 IonicContact OE2-NH2 3.95Å; E104-R475 PolarHBondContact OE2-NH2 3.05Å; D456-R475 IonicContact OD2-NH2 3.6Å; T473-R475 VanDerWaalsContact C-N 3.34Å; T473-R475 PolarHBondContact OG1-N 3.38Å; T473-R475 VanDerWaalsContact OG1-N 3.07Å
476	E	79	Confident	73.7	Confident	99 Å²	99	67.8 Å²	67.8	46%	0.463	35%	0.353	S	S	.	.			trans	-83.7	154.3	169.3	-70	-162	164.5	0	0	110	E478 D479	E476-E478 PolarHBondContact O-N 3.4Å; E476-D479 PolarHBondContact O-N 3.24Å; E476-D479 VanDerWaalsContact O-N 3.11Å
477	P	72.2	Confident	73.1	Confident	26 Å²	26	66.4 Å²	66.4	17%	0.169	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-57.2	-32.1	-178.1	19.7	-31.6	0	0	0	113.2	M102 D479 T480	M102-P477 HydrophobicContact CB-CG 4.14Å; M102-P477 HydrophobicContact SD-CG 4.04Å; P477-D479 VanDerWaalsContact C-N 3.28Å; P477-D479 PolarHBondContact O-N 3.46Å; P477-T480 PolarHBondContact O-N 2.96Å; P477-T480 PolarHBondContact O-OG1 2.9Å
478	E	62.3	Low	72.7	Confident	173 Å²	173	67.6 Å²	67.6	81%	0.808	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.3	179.3	-61.8	-173.9	175.8	0	0	114.1	E476 T480	E476-E478 PolarHBondContact O-N 3.4Å; E478-T480 VanDerWaalsContact C-N 3.25Å; E478-T480 PolarHBondContact O-N 2.77Å
479	D	60.6	Low	72.2	Confident	108 Å²	108	68.6 Å²	68.6	58%	0.578	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-77.8	-9.6	-178.6	-71.4	-37.1	0	0	0	113.2	E476 P477 K481	E476-D479 PolarHBondContact O-N 3.24Å; E476-D479 VanDerWaalsContact O-N 3.11Å; P477-D479 VanDerWaalsContact C-N 3.28Å; P477-D479 PolarHBondContact O-N 3.46Å; D479-K481 PolarHBondContact O-N 3.2Å; D479-K481 VanDerWaalsContact O-N 3.15Å
480	T	60.7	Low	71.5	Confident	32 Å²	32	73.7 Å²	73.7	20%	0.196	38%	0.381	C	S	.	.	S	Bend	trans	-76	102.3	173.8	57.7	0	0	0	0	109	E104 P477 E478 S482	E104-T480 HydrophobicContact CG-CG2 4.28Å; P477-T480 PolarHBondContact O-N 2.96Å; P477-T480 PolarHBondContact O-OG1 2.9Å; E478-T480 VanDerWaalsContact C-N 3.25Å; E478-T480 PolarHBondContact O-N 2.77Å; T480-S482 PolarHBondContact O-N 3.1Å
481	K	48.4	Very low	70.9	Confident	215 Å²	215	76.1 Å²	76.1	94%	0.935	39%	0.394	S	S	*	.	S	Bend	trans	-62.1	44.5	-167.6	-67.3	-178	175.5	175	0	117.7	D479	D479-K481 PolarHBondContact O-N 3.2Å; D479-K481 VanDerWaalsContact O-N 3.15Å
482	S	49.2	Very low	70.1	Confident	55 Å²	55	78.9 Å²	78.9	39%	0.385	41%	0.407	S	S	.	.			trans	-149	116.2	172.2	51.6	0	0	0	0	110.4	T480 D484 S485	T480-S482 PolarHBondContact O-N 3.1Å; S482-D484 PolarHBondContact O-N 2.99Å; S482-S485 PolarHBondContact O-N 3.39Å; S482-S485 VanDerWaalsContact O-N 3.07Å; S482-S485 WeakPolarHBondContact OG-CB 3.21Å
483	A	46.4	Very low	69.2	Low	114 Å²	114	88.4 Å²	88.4	94%	0.942	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-9.8	171.8	0	0	0	0	0	113.8
484	D	46.5	Very low	68.2	Low	165 Å²	165	90.7 Å²	90.7	88%	0.882	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-3.9	178.2	-76.7	-28.7	0	0	0	114.5	S482 D486	S482-D484 PolarHBondContact O-N 2.99Å; D484-D486 PolarHBondContact O-N 3.11Å
485	S	56.1	Low	67.2	Low	41 Å²	41	90.1 Å²	90.1	29%	0.287	47%	0.467	S	S	.	.			trans	-91.5	97.6	178.2	-178.5	0	0	0	0	109.7	S482 R487	S482-S485 PolarHBondContact O-N 3.39Å; S482-S485 VanDerWaalsContact O-N 3.07Å; S482-S485 WeakPolarHBondContact OG-CB 3.21Å; S485-R487 PolarHBondContact O-N 3.37Å
486	D	67.1	Low	66.3	Low	102 Å²	102	95 Å²	95	55%	0.545	49%	0.49	S	S	.	.			trans	-54.5	138.7	167.6	-162.7	-8.2	0	0	0	110.1	D484 D488	D484-D486 PolarHBondContact O-N 3.11Å; D486-D488 PolarHBondContact O-N 3.33Å; D486-D488 PolarHBondContact OD1-N 2.92Å
487	R	78.3	Confident	65.5	Low	71 Å²	71	98 Å²	98	27%	0.268	50%	0.504	S	S	.	.	S	Bend	trans	-64.3	-29.5	179.4	-172.3	174.2	60.7	166.7	-0.1	111.2	Y103 E104 R105 S106 E417 S485	Y103-R487 HydrophobicContact CD2-CG 3.93Å; Y103-R487 VanDerWaalsContact CE2-CD 3.45Å; Y103-R487 HydrophobicContact CE2-CG 3.57Å; Y103-R487 VanDerWaalsContact CZ-NH2 3.32Å; Y103-R487 WeakPolarHBondContact O-CD 3.41Å; Y103-R487 VanDerWaalsContact OH-CZ 3.23Å; Y103-R487 PolarHBondContact OH-NE 3.14Å; Y103-R487 PolarHBondContact OH-NH2 3.28Å; E104-R487 WeakPolarHBondContact O-CG 3.44Å; R105-R487 WeakPolarHBondContact CA-O 3.28Å; S106-R487 PolarHBondContact N-O 3.2Å; E417-R487 IonicContact OE1-CZ 3.78Å; E417-R487 IonicContact OE1-NH1 3.19Å; E417-R487 PolarHBondContact OE1-NH1 3.35Å; E417-R487 IonicContact OE1-NH2 3.05Å; E417-R487 IonicContact OE2-NH2 3.97Å; S485-R487 PolarHBondContact O-N 3.37Å
488	D	82.5	Confident	65	Low	39 Å²	39	99.1 Å²	99.1	21%	0.209	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	101	-175	-86.8	-2.6	0	0	0	110.7	Y103 S106 R468 D486 F490	Y103-D488 WeakPolarHBondContact CE2-OD1 3.24Å; Y103-D488 PolarHBondContact OH-OD1 3.07Å; S106-D488 WeakPolarHBondContact CB-OD1 3.18Å; S106-D488 VanDerWaalsContact OG-CG 3.3Å; S106-D488 PolarHBondContact OG-OD1 2.62Å; R468-D488 IonicContact CZ-OD2 2.91Å; R468-D488 IonicContact NH1-OD1 2.59Å; R468-D488 IonicContact NH1-OD2 2.96Å; D486-D488 PolarHBondContact O-N 3.33Å; D486-D488 PolarHBondContact OD1-N 2.92Å; D488-F490 WeakPolarHBondContact O-CD2 3.32Å; D488-F490 PolarHBondContact O-N 3.41Å
489	I	82.1	Confident	65	Low	45 Å²	45	94.4 Å²	94.4	23%	0.231	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.4	-174.1	-62.4	167	0	0	0	110.2	R105 S106 Y107 N491	R105-I489 HydrophobicContact CB-CD1 4.31Å; R105-I489 HydrophobicContact CG-CD1 4.24Å; S106-I489 WeakPolarHBondContact O-CB 3.34Å; S106-I489 PolarHBondContact O-N 2.77Å; Y107-I489 HydrophobicContact CD1-CB 4.29Å; Y107-I489 HydrophobicContact CD1-CD1 4.29Å; Y107-I489 HydrophobicContact CD1-CG2 4.27Å; Y107-I489 HydrophobicContact CE1-CB 4.33Å; Y107-I489 HydrophobicContact CE1-CD1 3.57Å; Y107-I489 HydrophobicContact CE1-CG2 4.22Å; Y107-I489 HydrophobicContact CE2-CD1 3.93Å; Y107-I489 WeakPolarHBondContact OH-CD1 3.46Å; I489-N491 HydrophobicContact CG2-CB 4.43Å; I489-N491 PolarHBondContact O-N 2.78Å; I489-N491 PolarHBondContact O-OD1 3.15Å
490	F	77.3	Confident	64.9	Low	108 Å²	108	94.8 Å²	94.8	47%	0.474	49%	0.49	S	S	.	.			trans	-86.1	77	172.8	-66	-82.5	0	0	0	111.2	M108 D488 E492 P494	M108-F490 HydrophobicContact CE-CD1 3.54Å; M108-F490 HydrophobicContact CE-CE1 3.72Å; D488-F490 WeakPolarHBondContact O-CD2 3.32Å; D488-F490 PolarHBondContact O-N 3.41Å; F490-E492 VanDerWaalsContact C-N 3.3Å; F490-P494 HydrophobicContact CD1-CG 3.74Å; F490-P494 HydrophobicContact CE1-CG 3.89Å
491	N	80.2	Confident	64.8	Low	63 Å²	63	95.7 Å²	95.7	34%	0.337	50%	0.5	S	S	.	.			trans	-79.5	-11.5	173.7	62.4	-51.3	0	0	0	113.4	M108 I489	M108-N491 WeakPolarHBondContact CA-OD1 3.05Å; M108-N491 WeakPolarHBondContact CB-OD1 3.45Å; M108-N491 PolarHBondContact N-OD1 2.94Å; M108-N491 PolarHBondContact O-ND2 2.83Å; M108-N491 PolarHBondContact O-OD1 2.68Å; I489-N491 HydrophobicContact CG2-CB 4.43Å; I489-N491 PolarHBondContact O-N 2.78Å; I489-N491 PolarHBondContact O-OD1 3.15Å
492	E	75.8	Confident	65.2	Low	58 Å²	58	87.9 Å²	87.9	27%	0.271	48%	0.476	S	S	.	.	S	Bend	trans	-132.1	159.2	175.9	-67.2	-168.2	171.7	0	0	111.2	M108 H109 R110 K134 F490 P494	M108-E492 HydrophobicContact SD-CB 4.39Å; H109-E492 VanDerWaalsContact C-OE2 3.3Å; R110-E492 VanDerWaalsContact CA-OE2 3.29Å; R110-E492 WeakPolarHBondContact CA-OE2 3.45Å; R110-E492 PolarHBondContact N-OE2 3.18Å; K134-E492 VanDerWaalsContact CE-OE1 3.28Å; K134-E492 WeakPolarHBondContact CE-OE1 3.3Å; K134-E492 VanDerWaalsContact NZ-CD 3.28Å; K134-E492 IonicContact NZ-OE1 3.98Å; K134-E492 PolarHBondContact NZ-OE1 3.04Å; K134-E492 IonicContact NZ-OE2 3.05Å; F490-E492 VanDerWaalsContact C-N 3.3Å; E492-P494 WeakPolarHBondContact O-CD 3.46Å
493	K	71.4	Confident	65.4	Low	200 Å²	200	89.1 Å²	89.1	87%	0.87	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-67.7	121.6	174.3	-71.2	-174	-179.7	-178.4	0	108.6
494	P	67.4	Low	65.4	Low	49 Å²	49	91 Å²	91	32%	0.318	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-58	147.9	179.1	-21.9	31.7	0	0	0	111.6	F490 E492 E498 V499	F490-P494 HydrophobicContact CD1-CG 3.74Å; F490-P494 HydrophobicContact CE1-CG 3.89Å; E492-P494 WeakPolarHBondContact O-CD 3.46Å; P494-E498 HydrophobicContact CB-CB 4.17Å; P494-V499 HydrophobicContact CB-CG2 3.91Å
495	S	65.3	Low	65.1	Low	45 Å²	45	87.4 Å²	87.4	32%	0.315	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-63.8	156.3	174	72.9	0	0	0	0	110.5	E497 E498 V499	S495-E497 PolarHBondContact O-N 2.84Å; S495-E498 CarbonylContact O-C 3.6Å; S495-E498 PolarHBondContact O-N 3.35Å; S495-E498 WeakPolarHBondContact OG-CB 3.42Å; S495-E498 WeakPolarHBondContact OG-CG 3.44Å; S495-E498 PolarHBondContact OG-N 2.99Å; S495-E498 PolarHBondContact OG-OE1 3.4Å; S495-V499 WeakPolarHBondContact O-CG2 3.35Å; S495-V499 PolarHBondContact O-N 2.86Å
496	K	63.5	Low	64.3	Low	187 Å²	187	93.3 Å²	93.3	81%	0.813	49%	0.487	S	S	*	.	H	α-helix	trans	-57.1	-36.5	177.8	-75	-178.3	179.1	-179.5	0	112.1	V499 M500	K496-V499 PolarHBondContact O-N 3.29Å; K496-M500 WeakPolarHBondContact O-CB 3.49Å; K496-M500 WeakPolarHBondContact O-CG 3.46Å; K496-M500 PolarHBondContact O-N 3.2Å
497	E	63	Low	62.8	Low	161 Å²	161	90.2 Å²	90.2	75%	0.752	48%	0.479	S	S	*	.	H	α-helix	trans	-66.4	-37.6	176.3	-64.8	179.7	-175.7	0	0	111.8	S495 M500 A501	S495-E497 PolarHBondContact O-N 2.84Å; E497-M500 PolarHBondContact O-N 3.38Å; E497-A501 VanDerWaalsContact O-CB 3.27Å; E497-A501 WeakPolarHBondContact O-CB 3.17Å; E497-A501 PolarHBondContact O-N 3.25Å
498	E	60.8	Low	61.1	Low	51 Å²	51	91.2 Å²	91.2	24%	0.238	50%	0.495	C	S	.	.	H	α-helix	trans	-74.7	-36.1	175	-78	163.5	-148.2	0	0	113.1	N467 P494 S495 M500 A501 A502	N467-E498 PolarHBondContact ND2-OE1 3.07Å; N467-E498 PolarHBondContact ND2-OE2 2.68Å; N467-E498 PolarHBondContact OD1-OE1 3.47Å; P494-E498 HydrophobicContact CB-CB 4.17Å; S495-E498 CarbonylContact O-C 3.6Å; S495-E498 PolarHBondContact O-N 3.35Å; S495-E498 WeakPolarHBondContact OG-CB 3.42Å; S495-E498 WeakPolarHBondContact OG-CG 3.44Å; S495-E498 PolarHBondContact OG-N 2.99Å; S495-E498 PolarHBondContact OG-OE1 3.4Å; E498-M500 VanDerWaalsContact C-N 3.27Å; E498-M500 PolarHBondContact O-N 3.12Å; E498-A501 PolarHBondContact O-N 3.08Å; E498-A502 WeakPolarHBondContact O-CB 3.45Å; E498-A502 PolarHBondContact O-N 3.27Å
499	V	62.6	Low	59.6	Low	74 Å²	74	97.8 Å²	97.8	45%	0.448	52%	0.522	S	S	.	.	H	α-helix	trans	-60.6	-43.8	169.6	177.4	0	0	0	0	109	P494 S495 K496 T503	P494-V499 HydrophobicContact CB-CG2 3.91Å; S495-V499 WeakPolarHBondContact O-CG2 3.35Å; S495-V499 PolarHBondContact O-N 2.86Å; K496-V499 PolarHBondContact O-N 3.29Å; V499-T503 VanDerWaalsContact O-CB 3.24Å; V499-T503 WeakPolarHBondContact O-CB 3.38Å; V499-T503 PolarHBondContact O-N 3.04Å; V499-T503 PolarHBondContact O-OG1 2.96Å
500	M	58.2	Low	58.5	Low	115 Å²	115	102.1 Å²	102.1	57%	0.567	54%	0.535	S	S	*	.	H	α-helix	trans	-64.5	-42.3	175.1	-71.6	174.1	67.6	0	0	112.2	K496 E497 E498 T503 Q504	K496-M500 WeakPolarHBondContact O-CB 3.49Å; K496-M500 WeakPolarHBondContact O-CG 3.46Å; K496-M500 PolarHBondContact O-N 3.2Å; E497-M500 PolarHBondContact O-N 3.38Å; E498-M500 VanDerWaalsContact C-N 3.27Å; E498-M500 PolarHBondContact O-N 3.12Å; M500-T503 CarbonylContact O-C 3.57Å; M500-T503 PolarHBondContact O-N 2.82Å; M500-Q504 WeakPolarHBondContact O-CB 3.34Å; M500-Q504 WeakPolarHBondContact O-CG 3.41Å; M500-Q504 PolarHBondContact O-N 3.16Å
501	A	59.1	Low	58.3	Low	51 Å²	51	98.9 Å²	98.9	42%	0.421	52%	0.524	S	S	.	.	H	α-helix	trans	-70.6	-37.8	179	0	0	0	0	0	112.7	E497 E498 Q504 A505	E497-A501 VanDerWaalsContact O-CB 3.27Å; E497-A501 WeakPolarHBondContact O-CB 3.17Å; E497-A501 PolarHBondContact O-N 3.25Å; E498-A501 PolarHBondContact O-N 3.08Å; A501-Q504 CarbonylContact O-C 3.49Å; A501-Q504 PolarHBondContact O-N 2.99Å; A501-A505 VanDerWaalsContact O-CB 3.3Å; A501-A505 WeakPolarHBondContact O-CB 3.42Å; A501-A505 PolarHBondContact O-N 3.33Å
502	A	56.8	Low	58.4	Low	52 Å²	52	96.5 Å²	96.5	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-40.3	172.2	0	0	0	0	0	110.5	E498 Q504 A505 E506	E498-A502 WeakPolarHBondContact O-CB 3.45Å; E498-A502 PolarHBondContact O-N 3.27Å; A502-Q504 PolarHBondContact O-N 2.76Å; A502-A505 PolarHBondContact O-N 3.32Å; A502-E506 CarbonylContact O-C 3.5Å; A502-E506 WeakPolarHBondContact O-CA 3.34Å; A502-E506 WeakPolarHBondContact O-CB 3.37Å; A502-E506 PolarHBondContact O-N 2.72Å
503	T	52.3	Low	59	Low	80 Å²	80	98.9 Å²	98.9	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-18.4	172.5	-48.1	0	0	0	0	112.4	V499 M500 E506 G507	V499-T503 VanDerWaalsContact O-CB 3.24Å; V499-T503 WeakPolarHBondContact O-CB 3.38Å; V499-T503 PolarHBondContact O-N 3.04Å; V499-T503 PolarHBondContact O-OG1 2.96Å; M500-T503 CarbonylContact O-C 3.57Å; M500-T503 PolarHBondContact O-N 2.82Å; T503-E506 CarbonylContact C-O 3.52Å; T503-E506 CarbonylContact O-C 3.59Å; T503-G507 WeakPolarHBondContact O-CA 3.38Å; T503-G507 PolarHBondContact O-N 3.48Å
504	Q	47	Very low	60	Low	154 Å²	154	90.6 Å²	90.6	72%	0.72	49%	0.494	S	S	*	.	H	α-helix	trans	-90.9	-33.8	173.7	-78	176.1	11.6	0	0	112.7	M500 A501 A502	M500-Q504 WeakPolarHBondContact O-CB 3.34Å; M500-Q504 WeakPolarHBondContact O-CG 3.41Å; M500-Q504 PolarHBondContact O-N 3.16Å; A501-Q504 CarbonylContact O-C 3.49Å; A501-Q504 PolarHBondContact O-N 2.99Å; A502-Q504 PolarHBondContact O-N 2.76Å
505	A	41.3	Very low	61.3	Low	90 Å²	90	88.2 Å²	88.2	74%	0.744	48%	0.479	S	S	*	.	H	α-helix	trans	-79.2	-37.5	177.1	0	0	0	0	0	111.8	A501 A502	A501-A505 VanDerWaalsContact O-CB 3.3Å; A501-A505 WeakPolarHBondContact O-CB 3.42Å; A501-A505 PolarHBondContact O-N 3.33Å; A502-A505 PolarHBondContact O-N 3.32Å
506	E	37.7	Very low	62.8	Low	164 Å²	164	86.9 Å²	86.9	77%	0.766	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	74.5	162	-63.3	-170.4	163	0	0	107.4	A502 T503	A502-E506 CarbonylContact O-C 3.5Å; A502-E506 WeakPolarHBondContact O-CA 3.34Å; A502-E506 WeakPolarHBondContact O-CB 3.37Å; A502-E506 PolarHBondContact O-N 2.72Å; T503-E506 CarbonylContact C-O 3.52Å; T503-E506 CarbonylContact O-C 3.59Å
507	G	36.4	Very low	64.3	Low	37 Å²	37	78 Å²	78	38%	0.381	43%	0.43	S	S	.	.			trans	-49.5	137.5	156	0	0	0	0	0	107.4	T503 K509	T503-G507 WeakPolarHBondContact O-CA 3.38Å; T503-G507 PolarHBondContact O-N 3.48Å; G507-K509 PolarHBondContact O-N 2.93Å
508	P	42.7	Very low	65.9	Low	93 Å²	93	72.1 Å²	72.1	60%	0.604	40%	0.402	S	S	*	.			trans	-50.9	114.8	172.9	22.2	-31.4	0	0	0	104.9	R510	P508-R510 VanDerWaalsContact C-N 3.26Å; P508-R510 WeakPolarHBondContact O-CA 3.22Å; P508-R510 VanDerWaalsContact O-CG 3.27Å; P508-R510 WeakPolarHBondContact O-CG 3.2Å; P508-R510 PolarHBondContact O-N 3.09Å
509	K	50.4	Low	67.6	Low	176 Å²	176	69.9 Å²	69.9	77%	0.765	39%	0.392	S	S	*	.			trans	-47.3	98.6	-171.8	-86.3	-178.2	178.8	175.7	0	106.8	G507 V511 R545	G507-K509 PolarHBondContact O-N 2.93Å; K509-V511 PolarHBondContact O-N 3.16Å; K509-R545 VanDerWaalsContact O-CZ 3.23Å; K509-R545 PolarHBondContact O-NH1 2.98Å; K509-R545 PolarHBondContact O-NH2 2.59Å
510	R	60	Low	69.1	Low	137 Å²	137	69.9 Å²	69.9	52%	0.517	39%	0.392	S	S	.	.	S	Bend	trans	-68.5	-10	-171.6	-68.1	-172.2	176.2	-178.7	-1.4	110.4	P508 E538 C541 V542 R545	P508-R510 VanDerWaalsContact C-N 3.26Å; P508-R510 WeakPolarHBondContact O-CA 3.22Å; P508-R510 VanDerWaalsContact O-CG 3.27Å; P508-R510 WeakPolarHBondContact O-CG 3.2Å; P508-R510 PolarHBondContact O-N 3.09Å; R510-E538 HydrophobicContact CB-CG 3.86Å; R510-E538 WeakPolarHBondContact CD-OE1 3.42Å; R510-E538 IonicContact CZ-OE1 2.59Å; R510-E538 IonicContact NE-OE1 3.76Å; R510-E538 IonicContact NH1-OE1 2.76Å; R510-E538 PolarHBondContact NH1-OE1 2.91Å; R510-C541 WeakPolarHBondContact O-CB 3.46Å; R510-V542 HydrophobicContact CB-CG2 4.21Å; R510-R545 PolarHBondContact O-NH1 3.15Å
511	V	72.8	Confident	70.7	Confident	40 Å²	40	67.3 Å²	67.3	24%	0.242	38%	0.379	C	S	.	.			trans	-128	133.7	-173	-147.1	0	0	0	0	108.1	K509 P530 V537 E538	K509-V511 PolarHBondContact O-N 3.16Å; V511-P530 HydrophobicContact CB-CB 4.16Å; V511-P530 HydrophobicContact CG1-CB 3.27Å; V511-P530 HydrophobicContact CG1-CG 4.44Å; V511-V537 HydrophobicContact CG1-CB 3.51Å; V511-V537 HydrophobicContact CG1-CG1 3.26Å; V511-E538 HydrophobicContact CG2-CB 4.09Å
512	S	82.9	Confident	72.3	Confident	13 Å²	13	66.1 Å²	66.1	9%	0.091	37%	0.372	C	S	.	.			trans	-128.6	152.4	179	-80.7	0	0	0	0	109.6	S514 L528 R545 I666 K667	S512-S514 VanDerWaalsContact C-N 3.33Å; S512-L528 WeakPolarHBondContact O-CB 3.5Å; S512-L528 WeakPolarHBondContact O-CD1 3.34Å; S512-R545 PolarHBondContact OG-NH2 3.42Å; S512-I666 WeakPolarHBondContact OG-CG2 3.3Å; S512-K667 WeakPolarHBondContact CB-O 3.43Å; S512-K667 PolarHBondContact OG-O 3.17Å
513	D	88.3	Confident	74.2	Confident	107 Å²	107	67 Å²	67	57%	0.572	37%	0.37	S	S	*	.	S	Bend	trans	-82.1	-9.8	-178.6	-61.6	-36.4	0	0	0	113.4	K527 L528 P530	D513-K527 WeakPolarHBondContact O-CA 3.04Å; D513-L528 PolarHBondContact O-N 3.31Å; D513-P530 WeakPolarHBondContact OD1-CD 3.26Å; D513-P530 WeakPolarHBondContact OD1-CG 3.38Å
514	S	91.6	Very high	76.3	Confident	26 Å²	26	63.2 Å²	63.2	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.6	-177.7	-173.3	0	0	0	0	112.9	S512 L526 K667	S512-S514 VanDerWaalsContact C-N 3.33Å; S514-L526 VanDerWaalsContact CA-O 3.3Å; S514-L526 WeakPolarHBondContact CA-O 3.43Å; S514-L526 PolarHBondContact OG-O 3.38Å; S514-K667 PolarHBondContact O-N 2.74Å
515	A	94.5	Very high	78.6	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.3	175.9	0	0	0	0	0	111	L526 L528 F540 I664 T665 I666	A515-L526 PolarHBondContact N-O 3.15Å; A515-L526 VanDerWaalsContact N-O 3.09Å; A515-L526 PolarHBondContact O-N 3.22Å; A515-L528 HydrophobicContact CB-CD1 3.96Å; A515-F540 HydrophobicContact CB-CE1 3.82Å; A515-F540 HydrophobicContact CB-CZ 4.49Å; A515-I664 HydrophobicContact CB-CG2 4.27Å; A515-T665 CarbonylContact C-O 3.56Å; A515-T665 WeakPolarHBondContact CA-O 2.85Å; A515-I666 HydrophobicContact CB-CD1 3.62Å
516	I	96.1	Very high	81.2	Confident	17 Å²	17	53.8 Å²	53.8	9%	0.087	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.2	172.7	-52.4	177.1	0	0	0	107.9	D523 I524 H525 I664 T665	I516-D523 HydrophobicContact CG2-CB 4.13Å; I516-I524 CarbonylContact C-O 3.42Å; I516-I524 WeakPolarHBondContact CA-O 3.34Å; I516-H525 VanDerWaalsContact CD1-CE1 3.48Å; I516-H525 WeakPolarHBondContact CD1-CE1 3.36Å; I516-H525 WeakPolarHBondContact CG1-ND1 3.35Å; I516-I664 CarbonylContact O-C 3.54Å; I516-I664 VanDerWaalsContact O-CA 3.31Å; I516-I664 WeakPolarHBondContact O-CA 3.28Å; I516-T665 PolarHBondContact N-O 2.87Å; I516-T665 PolarHBondContact O-N 3.49Å
517	I	96.2	Very high	83.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	114	172	-54.1	-177.5	0	0	0	107.5	T519 D523 I524 L526 F540 F613 I661 I664	I517-T519 HydrophobicContact CG2-CG2 3.75Å; I517-D523 WeakPolarHBondContact O-CA 3.42Å; I517-I524 HydrophobicContact CB-CB 4.35Å; I517-I524 PolarHBondContact N-O 2.93Å; I517-I524 PolarHBondContact O-N 3.41Å; I517-L526 HydrophobicContact CD1-CD1 3.5Å; I517-L526 HydrophobicContact CG1-CD1 3.75Å; I517-F540 HydrophobicContact CD1-CZ 4.42Å; I517-F613 HydrophobicContact CD1-CE2 3.97Å; I517-F613 HydrophobicContact CD1-CZ 3.92Å; I517-I661 HydrophobicContact CG2-CD1 4.26Å; I517-I661 HydrophobicContact CG2-CG1 3.98Å; I517-I661 HydrophobicContact CG2-CG2 4.01Å; I517-I664 HydrophobicContact CB-CG1 4.39Å; I517-I664 HydrophobicContact CD1-CD1 4.32Å; I517-I664 HydrophobicContact CG1-CD1 4.01Å; I517-I664 HydrophobicContact CG1-CG1 4.09Å; I517-I664 HydrophobicContact CG1-CG2 4.24Å; I517-I664 HydrophobicContact CG2-CD1 4.45Å; I517-I664 HydrophobicContact CG2-CG1 4.17Å
518	H	96.5	Very high	86.7	Confident	37 Å²	37	49.6 Å²	49.6	17%	0.171	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.9	172.4	-58.4	-74.9	0	0	0	108.1	D523 I662 N663 T665	H518-D523 IonicContact CE1-OD1 3.81Å; H518-D523 IonicContact CE1-OD2 3.78Å; H518-D523 IonicContact CG-OD1 4Å; H518-D523 IonicContact ND1-OD1 3.73Å; H518-D523 PolarHBondContact ND1-OD1 3.17Å; H518-D523 IonicContact ND1-OD2 2.77Å; H518-D523 PolarHBondContact ND1-OD2 2.88Å; H518-I662 HydrophobicContact CB-CB 4.32Å; H518-I662 PolarHBondContact O-N 3.03Å; H518-N663 WeakPolarHBondContact CB-O 2.97Å; H518-N663 WeakPolarHBondContact CB-OD1 3.49Å; H518-N663 PolarHBondContact CD2-OD1 3.49Å; H518-N663 VanDerWaalsContact CG-OD1 3.28Å; H518-N663 PolarHBondContact N-O 3.17Å; H518-T665 PolarHBondContact CD2-OG1 3.1Å; H518-T665 PolarHBondContact NE2-OG1 3.47Å
519	T	95.6	Very high	89.2	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	165	178.5	74.1	0	0	0	0	110.6	I517 M521 G522 I524 F554 I643 S660	I517-T519 HydrophobicContact CG2-CG2 3.75Å; T519-M521 PolarHBondContact O-N 3.17Å; T519-M521 VanDerWaalsContact O-N 3.08Å; T519-M521 PolarHBondContact OG1-N 2.83Å; T519-G522 WeakPolarHBondContact CB-O 3.22Å; T519-G522 PolarHBondContact N-O 3.37Å; T519-G522 PolarHBondContact O-N 3.35Å; T519-G522 VanDerWaalsContact O-N 3.12Å; T519-G522 PolarHBondContact OG1-N 3.19Å; T519-G522 PolarHBondContact OG1-O 3.33Å; T519-I524 HydrophobicContact CG2-CD1 4.05Å; T519-F554 HydrophobicContact CG2-CE2 3.91Å; T519-F554 HydrophobicContact CG2-CZ 4.11Å; T519-I643 HydrophobicContact CG2-CD1 4.49Å; T519-S660 CarbonylContact C-O 3.51Å; T519-S660 VanDerWaalsContact CA-O 3.29Å; T519-S660 WeakPolarHBondContact CA-O 3.44Å
520	T	93.9	Very high	91.1	Very high	73 Å²	73	39.2 Å²	39.2	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18	173.1	54.6	0	0	0	0	113.8	S660 I662	T520-S660 VanDerWaalsContact CG2-OG 3.27Å; T520-S660 WeakPolarHBondContact CG2-OG 3.34Å; T520-S660 PolarHBondContact N-O 2.71Å; T520-S660 PolarHBondContact OG1-N 2.94Å; T520-I662 HydrophobicContact CG2-CG1 4.47Å
521	M	91.8	Very high	92.4	Very high	61 Å²	61	38.8 Å²	38.8	30%	0.3	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-2.9	-179.5	-71.7	-80	179.8	0	0	113.7	T519 V639 R642 I643 I659	T519-M521 PolarHBondContact O-N 3.17Å; T519-M521 VanDerWaalsContact O-N 3.08Å; T519-M521 PolarHBondContact OG1-N 2.83Å; M521-V639 HydrophobicContact CB-CG1 4.14Å; M521-R642 HydrophobicContact SD-CG 4.44Å; M521-I643 HydrophobicContact CB-CD1 4.4Å; M521-I643 HydrophobicContact CB-CG1 4.02Å; M521-I643 HydrophobicContact CG-CG1 4.19Å; M521-I659 HydrophobicContact CE-CD1 4.17Å; M521-I659 HydrophobicContact CE-CG1 4.15Å; M521-I659 HydrophobicContact CG-CD1 4.41Å; M521-I659 HydrophobicContact CG-CG1 4.4Å; M521-I659 HydrophobicContact CG-CG2 4Å
522	G	94.5	Very high	93.2	Very high	27 Å²	27	40 Å²	40	28%	0.278	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-175.1	-178.6	0	0	0	0	0	113.9	T519	T519-G522 WeakPolarHBondContact CB-O 3.22Å; T519-G522 PolarHBondContact N-O 3.37Å; T519-G522 PolarHBondContact O-N 3.35Å; T519-G522 VanDerWaalsContact O-N 3.12Å; T519-G522 PolarHBondContact OG1-N 3.19Å; T519-G522 PolarHBondContact OG1-O 3.33Å
523	D	95.9	Very high	93.6	Very high	71 Å²	71	39.4 Å²	39.4	38%	0.38	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.4	-173.8	-65.9	-14.1	0	0	0	112.5	I516 I517 H518 G636	I516-D523 HydrophobicContact CG2-CB 4.13Å; I517-D523 WeakPolarHBondContact O-CA 3.42Å; H518-D523 IonicContact CE1-OD1 3.81Å; H518-D523 IonicContact CE1-OD2 3.78Å; H518-D523 IonicContact CG-OD1 4Å; H518-D523 IonicContact ND1-OD1 3.73Å; H518-D523 PolarHBondContact ND1-OD1 3.17Å; H518-D523 IonicContact ND1-OD2 2.77Å; H518-D523 PolarHBondContact ND1-OD2 2.88Å; D523-G636 WeakPolarHBondContact O-CA 3.12Å
524	I	96.6	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	114.2	175.2	-56.7	165.5	0	0	0	108.3	I516 I517 T519 L526 I615 V639 V640 I643	I516-I524 CarbonylContact C-O 3.42Å; I516-I524 WeakPolarHBondContact CA-O 3.34Å; I517-I524 HydrophobicContact CB-CB 4.35Å; I517-I524 PolarHBondContact N-O 2.93Å; I517-I524 PolarHBondContact O-N 3.41Å; T519-I524 HydrophobicContact CG2-CD1 4.05Å; I524-L526 HydrophobicContact CG2-CD2 4.02Å; I524-L526 HydrophobicContact CG2-CG 4.4Å; I524-I615 HydrophobicContact CD1-CD1 4.48Å; I524-I615 HydrophobicContact CG2-CD1 4.38Å; I524-V639 HydrophobicContact CD1-CG1 4.34Å; I524-V639 HydrophobicContact CG1-CB 4.16Å; I524-V639 HydrophobicContact CG1-CG1 4.02Å; I524-V640 HydrophobicContact CD1-CG2 3.84Å; I524-V640 HydrophobicContact CG1-CG2 4Å; I524-V640 HydrophobicContact CG2-CG2 3.96Å; I524-I643 HydrophobicContact CD1-CD1 4.27Å
525	H	95.8	Very high	93.7	Very high	45 Å²	45	40 Å²	40	21%	0.208	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.5	177.7	-62.7	-105	0	0	0	110.5	I516 C633 I634 K635	I516-H525 VanDerWaalsContact CD1-CE1 3.48Å; I516-H525 WeakPolarHBondContact CD1-CE1 3.36Å; I516-H525 WeakPolarHBondContact CG1-ND1 3.35Å; H525-C633 CarbonylContact O-C 3.58Å; H525-C633 WeakPolarHBondContact O-CA 3.23Å; H525-I634 HydrophobicContact CB-CD1 4.16Å; H525-I634 HydrophobicContact CB-CG1 3.74Å; H525-I634 VanDerWaalsContact O-CG1 3.28Å; H525-I634 WeakPolarHBondContact O-CG1 3.45Å; H525-I634 PolarHBondContact O-N 3.34Å; H525-K635 HydrophobicContact CB-CB 3.88Å; H525-K635 PolarHBondContact N-O 2.83Å
526	L	95.2	Very high	93.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.3	-176.7	-58.8	170	0	0	0	110.6	S514 A515 I517 I524 L528 F540 L599 R632 C633	S514-L526 VanDerWaalsContact CA-O 3.3Å; S514-L526 WeakPolarHBondContact CA-O 3.43Å; S514-L526 PolarHBondContact OG-O 3.38Å; A515-L526 PolarHBondContact N-O 3.15Å; A515-L526 VanDerWaalsContact N-O 3.09Å; A515-L526 PolarHBondContact O-N 3.22Å; I517-L526 HydrophobicContact CD1-CD1 3.5Å; I517-L526 HydrophobicContact CG1-CD1 3.75Å; I524-L526 HydrophobicContact CG2-CD2 4.02Å; I524-L526 HydrophobicContact CG2-CG 4.4Å; L526-L528 HydrophobicContact CB-CD2 4.48Å; L526-F540 HydrophobicContact CD1-CZ 4.26Å; L526-L599 HydrophobicContact CD1-CD2 3.8Å; L526-L599 HydrophobicContact CD2-CD2 4.34Å; L526-R632 WeakPolarHBondContact CA-O 3.46Å; L526-C633 HydrophobicContact CD2-CB 4.24Å
527	K	95.1	Very high	93.6	Very high	112 Å²	112	39.2 Å²	39.2	49%	0.487	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.3	160.3	-179	174.3	-178.5	177.3	0	108	D513 F529 G631 R632 I634	D513-K527 WeakPolarHBondContact O-CA 3.04Å; K527-F529 HydrophobicContact CD-CE1 4.35Å; K527-F529 HydrophobicContact CG-CE1 4.25Å; K527-G631 CarbonylContact O-C 3.57Å; K527-G631 WeakPolarHBondContact O-CA 3.44Å; K527-R632 PolarHBondContact N-O 2.78Å; K527-R632 PolarHBondContact O-N 3.05Å; K527-I634 HydrophobicContact CB-CG2 3.79Å
528	L	95	Very high	93.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	159.5	-178.4	-57.7	173.5	0	0	0	110.1	S512 D513 A515 L526 P530 V537 F540 L599 F630	S512-L528 WeakPolarHBondContact O-CB 3.5Å; S512-L528 WeakPolarHBondContact O-CD1 3.34Å; D513-L528 PolarHBondContact O-N 3.31Å; A515-L528 HydrophobicContact CB-CD1 3.96Å; L526-L528 HydrophobicContact CB-CD2 4.48Å; L528-P530 VanDerWaalsContact C-CD 3.48Å; L528-P530 WeakPolarHBondContact O-CD 3.36Å; L528-V537 HydrophobicContact CB-CG1 3.86Å; L528-V537 HydrophobicContact CB-CG2 4.36Å; L528-V537 HydrophobicContact CD1-CG1 3.93Å; L528-V537 HydrophobicContact CG-CG1 4.4Å; L528-F540 HydrophobicContact CD1-CD1 4.01Å; L528-F540 HydrophobicContact CD1-CE1 4.13Å; L528-F540 HydrophobicContact CD2-CD1 4.25Å; L528-F540 HydrophobicContact CD2-CE1 4.23Å; L528-L599 HydrophobicContact CD2-CD2 3.96Å; L528-F630 WeakPolarHBondContact CA-O 3.4Å; L528-F630 HydrophobicContact CD2-CD2 4.13Å; L528-F630 HydrophobicContact CD2-CE2 4.28Å
529	F	94.3	Very high	93.3	Very high	26 Å²	26	39.1 Å²	39.1	11%	0.114	21%	0.211	C	C	.	.			trans	-120.2	73.5	-176.5	-57.7	-43	0	0	0	111.8	K527 V531 C533 L591 F630 R632	K527-F529 HydrophobicContact CD-CE1 4.35Å; K527-F529 HydrophobicContact CG-CE1 4.25Å; F529-V531 VanDerWaalsContact C-N 3.33Å; F529-V531 PolarHBondContact O-N 3.48Å; F529-C533 PolarHBondContact O-N 2.88Å; F529-L591 HydrophobicContact CB-CD1 4.19Å; F529-L591 HydrophobicContact CD2-CD1 3.94Å; F529-L591 HydrophobicContact CD2-CD2 3.6Å; F529-L591 HydrophobicContact CD2-CG 4.43Å; F529-L591 HydrophobicContact CE2-CD2 3.76Å; F529-L591 HydrophobicContact CG-CD1 4.37Å; F529-L591 HydrophobicContact CG-CD2 4.17Å; F529-L591 HydrophobicContact CZ-CD2 4.45Å; F529-F630 PolarHBondContact N-O 3.34Å; F529-R632 HydrophobicContact CE2-CG 3.95Å; F529-R632 HydrophobicContact CZ-CB 4.37Å; F529-R632 HydrophobicContact CZ-CG 3.95Å
530	P	91.1	Very high	93.3	Very high	24 Å²	24	38.9 Å²	38.9	16%	0.156	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.5	-172.3	31.4	-36.7	0	0	0	114.8	V511 D513 L528 P534 V537	V511-P530 HydrophobicContact CB-CB 4.16Å; V511-P530 HydrophobicContact CG1-CB 3.27Å; V511-P530 HydrophobicContact CG1-CG 4.44Å; D513-P530 WeakPolarHBondContact OD1-CD 3.26Å; D513-P530 WeakPolarHBondContact OD1-CG 3.38Å; L528-P530 VanDerWaalsContact C-CD 3.48Å; L528-P530 WeakPolarHBondContact O-CD 3.36Å; P530-P534 WeakPolarHBondContact O-CA 3.43Å; P530-P534 WeakPolarHBondContact O-CB 3.11Å; P530-V537 HydrophobicContact CB-CB 4.31Å; P530-V537 HydrophobicContact CB-CG1 4.2Å
531	V	87.2	Confident	93.2	Very high	129 Å²	129	35.4 Å²	35.4	78%	0.782	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-42.4	177.1	178.8	0	0	0	0	109.9	F529	F529-V531 VanDerWaalsContact C-N 3.33Å; F529-V531 PolarHBondContact O-N 3.48Å
532	E	89.6	Confident	93.2	Very high	66 Å²	66	33.8 Å²	33.8	31%	0.308	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-37.1	-178	-61.6	88	162.4	0	0	113.1	P534 H588 L591	E532-P534 VanDerWaalsContact C-CD 3.47Å; E532-H588 HydrophobicContact CB-CB 4.12Å; E532-H588 HydrophobicContact CG-CB 4.47Å; E532-L591 HydrophobicContact CB-CD1 3.61Å; E532-L591 HydrophobicContact CB-CG 4.49Å; E532-L591 HydrophobicContact CG-CD1 4.1Å
533	C	91.4	Very high	93.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.			trans	-127.9	63.4	-176.8	-53.6	0	0	0	0	111.6	F529 K535 T536 V537 E586 T628 V629 F630	F529-C533 PolarHBondContact O-N 2.88Å; C533-K535 PolarHBondContact O-N 3.03Å; C533-T536 PolarHBondContact O-N 2.73Å; C533-V537 VanDerWaalsContact O-CG2 3.31Å; C533-V537 WeakPolarHBondContact O-CG2 3.48Å; C533-V537 PolarHBondContact O-N 3.01Å; C533-E586 WeakPolarHBondContact CA-OE2 3.45Å; C533-E586 HydrophobicContact CB-CB 4.15Å; C533-E586 PolarHBondContact SG-O 3.17Å; C533-T628 HydrophobicContact CB-CG2 4.35Å; C533-V629 PolarHBondContact SG-O 2.79Å; C533-F630 HydrophobicContact CB-CB 4.22Å
534	P	90.8	Very high	93	Very high	59 Å²	59	29.9 Å²	29.9	38%	0.383	15%	0.154	S	C	.	.	H	α-helix	trans	-60.3	-42.9	-171.8	22.7	-33.9	0	0	0	113.5	P530 E532 E538 E586	P530-P534 WeakPolarHBondContact O-CA 3.43Å; P530-P534 WeakPolarHBondContact O-CB 3.11Å; E532-P534 VanDerWaalsContact C-CD 3.47Å; P534-E538 VanDerWaalsContact O-CB 3.26Å; P534-E538 WeakPolarHBondContact O-CB 3.49Å; P534-E538 PolarHBondContact O-N 2.87Å; P534-E586 WeakPolarHBondContact CD-OE1 3.29Å; P534-E586 WeakPolarHBondContact CG-OE1 3.36Å
535	K	91.4	Very high	92.6	Very high	86 Å²	86	35 Å²	35	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-70.6	-41.2	-178.1	-70.5	-176.9	175.8	177.4	0	111.5	C533 E538 N539 W579 E584 E586	C533-K535 PolarHBondContact O-N 3.03Å; K535-E538 PolarHBondContact O-N 2.82Å; K535-N539 WeakPolarHBondContact O-CB 3.36Å; K535-N539 PolarHBondContact O-N 2.73Å; K535-W579 HydrophobicContact CB-CH2 4Å; K535-W579 HydrophobicContact CG-CH2 4.47Å; K535-W579 WeakPolarHBondContact O-CH2 3.25Å; K535-E584 IonicContact NZ-OE1 3.8Å; K535-E584 PolarHBondContact NZ-OE1 2.84Å; K535-E586 WeakPolarHBondContact CB-OE1 3.31Å; K535-E586 PolarHBondContact N-OE1 2.96Å; K535-E586 PolarHBondContact N-OE2 2.95Å
536	T	93.6	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-44.6	-179.3	-53.1	0	0	0	0	111.2	C533 N539 F540 F583 E586 M601 T628 F630	C533-T536 PolarHBondContact O-N 2.73Å; T536-N539 PolarHBondContact O-N 2.8Å; T536-F540 PolarHBondContact O-N 3.45Å; T536-F583 HydrophobicContact CG2-CZ 4.38Å; T536-E586 VanDerWaalsContact CB-OE2 3.31Å; T536-E586 WeakPolarHBondContact CB-OE2 3.3Å; T536-E586 PolarHBondContact N-OE2 3.18Å; T536-E586 PolarHBondContact OG1-OE2 2.87Å; T536-M601 HydrophobicContact CG2-CG 3.4Å; T536-M601 HydrophobicContact CG2-SD 3.74Å; T536-T628 HydrophobicContact CG2-CG2 4.09Å; T536-T628 WeakPolarHBondContact OG1-CG2 3.32Å; T536-F630 HydrophobicContact CG2-CB 3.57Å; T536-F630 HydrophobicContact CG2-CD1 3.54Å; T536-F630 HydrophobicContact CG2-CD2 4.16Å; T536-F630 HydrophobicContact CG2-CE1 4.21Å; T536-F630 HydrophobicContact CG2-CG 3.5Å
537	V	94	Very high	92	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.9	-36.3	178.3	-173.6	0	0	0	0	111	V511 L528 P530 C533 F540 C541 F630	V511-V537 HydrophobicContact CG1-CB 3.51Å; V511-V537 HydrophobicContact CG1-CG1 3.26Å; L528-V537 HydrophobicContact CB-CG1 3.86Å; L528-V537 HydrophobicContact CB-CG2 4.36Å; L528-V537 HydrophobicContact CD1-CG1 3.93Å; L528-V537 HydrophobicContact CG-CG1 4.4Å; P530-V537 HydrophobicContact CB-CB 4.31Å; P530-V537 HydrophobicContact CB-CG1 4.2Å; C533-V537 VanDerWaalsContact O-CG2 3.31Å; C533-V537 WeakPolarHBondContact O-CG2 3.48Å; C533-V537 PolarHBondContact O-N 3.01Å; V537-F540 PolarHBondContact O-N 2.87Å; V537-C541 VanDerWaalsContact O-CB 3.26Å; V537-C541 WeakPolarHBondContact O-CB 3.33Å; V537-C541 PolarHBondContact O-N 2.79Å; V537-C541 PolarHBondContact O-SG 2.8Å; V537-C541 VanDerWaalsContact O-SG 3.36Å; V537-F630 HydrophobicContact CG2-CB 4.09Å; V537-F630 HydrophobicContact CG2-CD2 4.38Å
538	E	92.4	Very high	91.9	Very high	35 Å²	35	37.7 Å²	37.7	16%	0.164	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-49.7	172.2	-174.9	178.2	-175.7	0	0	111.3	R510 V511 P534 K535 F540 C541 V542 I578	R510-E538 HydrophobicContact CB-CG 3.86Å; R510-E538 WeakPolarHBondContact CD-OE1 3.42Å; R510-E538 IonicContact CZ-OE1 2.59Å; R510-E538 IonicContact NE-OE1 3.76Å; R510-E538 IonicContact NH1-OE1 2.76Å; R510-E538 PolarHBondContact NH1-OE1 2.91Å; V511-E538 HydrophobicContact CG2-CB 4.09Å; P534-E538 VanDerWaalsContact O-CB 3.26Å; P534-E538 WeakPolarHBondContact O-CB 3.49Å; P534-E538 PolarHBondContact O-N 2.87Å; K535-E538 PolarHBondContact O-N 2.82Å; E538-F540 PolarHBondContact O-N 3.49Å; E538-C541 PolarHBondContact O-N 2.82Å; E538-V542 HydrophobicContact CG-CG2 4.24Å; E538-V542 WeakPolarHBondContact O-CB 3.46Å; E538-V542 VanDerWaalsContact O-CG2 3.28Å; E538-V542 WeakPolarHBondContact O-CG2 3.4Å; E538-V542 PolarHBondContact O-N 2.8Å; E538-I578 HydrophobicContact CG-CD1 4.08Å
539	N	93.8	Very high	91.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.3	-49.4	177.8	-179.1	64.5	0	0	0	111.5	K535 T536 H543 S577 I578 W579 F583 G610	K535-N539 WeakPolarHBondContact O-CB 3.36Å; K535-N539 PolarHBondContact O-N 2.73Å; T536-N539 PolarHBondContact O-N 2.8Å; N539-H543 WeakPolarHBondContact O-CB 3.3Å; N539-H543 PolarHBondContact O-N 3.19Å; N539-S577 VanDerWaalsContact OD1-CA 3.26Å; N539-S577 WeakPolarHBondContact OD1-CA 3.47Å; N539-S577 WeakPolarHBondContact OD1-CB 3.46Å; N539-I578 HydrophobicContact CB-CG1 4.42Å; N539-I578 PolarHBondContact OD1-N 3.38Å; N539-W579 HydrophobicContact CB-CH2 4.12Å; N539-W579 HydrophobicContact CB-CZ3 3.96Å; N539-F583 HydrophobicContact CB-CE1 4.26Å; N539-F583 HydrophobicContact CB-CZ 4.26Å; N539-G610 PolarHBondContact ND2-O 3.46Å
540	F	95	Very high	91.8	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-46.7	179.1	177.8	-97.8	0	0	0	112.8	A515 I517 L526 L528 T536 V537 E538 S544 Y549 F613 F630 I664 I666	A515-F540 HydrophobicContact CB-CE1 3.82Å; A515-F540 HydrophobicContact CB-CZ 4.49Å; I517-F540 HydrophobicContact CD1-CZ 4.42Å; L526-F540 HydrophobicContact CD1-CZ 4.26Å; L528-F540 HydrophobicContact CD1-CD1 4.01Å; L528-F540 HydrophobicContact CD1-CE1 4.13Å; L528-F540 HydrophobicContact CD2-CD1 4.25Å; L528-F540 HydrophobicContact CD2-CE1 4.23Å; T536-F540 PolarHBondContact O-N 3.45Å; V537-F540 PolarHBondContact O-N 2.87Å; E538-F540 PolarHBondContact O-N 3.49Å; F540-S544 VanDerWaalsContact O-CB 3.27Å; F540-S544 WeakPolarHBondContact O-CB 3.36Å; F540-S544 PolarHBondContact O-N 3.28Å; F540-S544 PolarHBondContact O-OG 2.87Å; F540-Y549 AromaticContact CD2-CE2 3.99Å; F540-Y549 HydrophobicContact CD2-CE2 3.99Å; F540-Y549 HydrophobicContact CE2-CE2 4.23Å; F540-F613 HydrophobicContact CD2-CD1 4.3Å; F540-F613 HydrophobicContact CD2-CE1 4.22Å; F540-F613 HydrophobicContact CE2-CD1 4.21Å; F540-F613 AromaticContact CE2-CE1 3.75Å; F540-F613 HydrophobicContact CE2-CE1 3.75Å; F540-F613 AromaticContact CE2-CZ 3.94Å; F540-F613 HydrophobicContact CE2-CZ 3.94Å; F540-F630 HydrophobicContact CB-CE2 3.92Å; F540-F630 HydrophobicContact CD1-CE2 4.25Å; F540-F630 AromaticContact CD2-CE2 3.88Å; F540-F630 HydrophobicContact CD2-CE2 3.88Å; F540-F630 HydrophobicContact CD2-CZ 4.11Å; F540-F630 HydrophobicContact CE2-CE2 4.49Å; F540-F630 AromaticContact CG-CE2 3.74Å; F540-F630 HydrophobicContact CG-CE2 3.74Å; F540-F630 HydrophobicContact CG-CZ 4.39Å; F540-I664 HydrophobicContact CE1-CG2 4.44Å; F540-I664 HydrophobicContact CE2-CD1 4.14Å; F540-I664 HydrophobicContact CZ-CD1 4.04Å; F540-I664 HydrophobicContact CZ-CG2 4.17Å; F540-I666 HydrophobicContact CE1-CD1 4.21Å
541	C	92.9	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-41.3	-178.1	-77.2	0	0	0	0	112.2	R510 V537 E538 S544 R545 I666	R510-C541 WeakPolarHBondContact O-CB 3.46Å; V537-C541 VanDerWaalsContact O-CB 3.26Å; V537-C541 WeakPolarHBondContact O-CB 3.33Å; V537-C541 PolarHBondContact O-N 2.79Å; V537-C541 PolarHBondContact O-SG 2.8Å; V537-C541 VanDerWaalsContact O-SG 3.36Å; E538-C541 PolarHBondContact O-N 2.82Å; C541-S544 PolarHBondContact O-N 3.31Å; C541-R545 WeakPolarHBondContact O-CG 3.2Å; C541-R545 PolarHBondContact O-N 2.99Å; C541-I666 HydrophobicContact CB-CD1 4.47Å
542	V	91.2	Very high	92.3	Very high	27 Å²	27	35.9 Å²	35.9	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-69.5	-45.1	179	171.1	0	0	0	0	110.9	R510 E538 S544 R545 N546 I578	R510-V542 HydrophobicContact CB-CG2 4.21Å; E538-V542 HydrophobicContact CG-CG2 4.24Å; E538-V542 WeakPolarHBondContact O-CB 3.46Å; E538-V542 VanDerWaalsContact O-CG2 3.28Å; E538-V542 WeakPolarHBondContact O-CG2 3.4Å; E538-V542 PolarHBondContact O-N 2.8Å; V542-S544 VanDerWaalsContact C-N 3.29Å; V542-S544 PolarHBondContact O-N 2.8Å; V542-R545 PolarHBondContact O-N 2.86Å; V542-N546 WeakPolarHBondContact O-CB 3.38Å; V542-N546 VanDerWaalsContact O-CG 3.22Å; V542-N546 PolarHBondContact O-N 2.91Å; V542-N546 PolarHBondContact O-ND2 3.05Å; V542-I578 HydrophobicContact CB-CD1 4.06Å; V542-I578 HydrophobicContact CB-CG2 3.95Å; V542-I578 HydrophobicContact CG1-CB 4.3Å; V542-I578 HydrophobicContact CG1-CD1 4.2Å; V542-I578 HydrophobicContact CG1-CG2 3.75Å; V542-I578 HydrophobicContact CG2-CD1 4.19Å
543	H	93.3	Very high	92.5	Very high	12 Å²	12	34 Å²	34	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-41.4	173.4	-86.5	-37.8	0	0	0	112.3	N539 N546 G547 Y548 Y549 E576 I578	N539-H543 WeakPolarHBondContact O-CB 3.3Å; N539-H543 PolarHBondContact O-N 3.19Å; H543-N546 PolarHBondContact O-N 2.92Å; H543-G547 PolarHBondContact O-N 2.99Å; H543-Y548 HydrophobicContact CB-CD1 4.31Å; H543-Y548 HydrophobicContact CB-CG 4.35Å; H543-Y548 AromaticContact CE1-CD2 3.92Å; H543-Y548 AromaticContact CE1-CG 3.93Å; H543-Y548 AromaticContact CG-CD1 3.99Å; H543-Y548 AromaticContact ND1-CD1 3.84Å; H543-Y548 AromaticContact ND1-CD2 3.79Å; H543-Y548 AromaticContact ND1-CG 3.47Å; H543-Y548 VanDerWaalsContact O-CB 3.26Å; H543-Y548 WeakPolarHBondContact O-CB 3.35Å; H543-Y548 PolarHBondContact O-N 2.83Å; H543-Y549 HydrophobicContact CB-CD2 4Å; H543-Y549 HydrophobicContact CB-CE2 3.42Å; H543-Y549 VanDerWaalsContact CB-CE2 3.42Å; H543-E576 PolarHBondContact NE2-O 2.92Å; H543-I578 PolarHBondContact NE2-N 2.94Å
544	S	92.9	Very high	92.7	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-46.1	175.8	-62.5	0	0	0	0	112.3	F540 C541 V542 G547 I664	F540-S544 VanDerWaalsContact O-CB 3.27Å; F540-S544 WeakPolarHBondContact O-CB 3.36Å; F540-S544 PolarHBondContact O-N 3.28Å; F540-S544 PolarHBondContact O-OG 2.87Å; C541-S544 PolarHBondContact O-N 3.31Å; V542-S544 VanDerWaalsContact C-N 3.29Å; V542-S544 PolarHBondContact O-N 2.8Å; S544-G547 PolarHBondContact O-N 3.07Å; S544-G547 VanDerWaalsContact O-N 3.11Å; S544-I664 WeakPolarHBondContact OG-CG2 3.41Å
545	R	88.7	Confident	92.9	Very high	108 Å²	108	32 Å²	32	41%	0.408	17%	0.169	S	C	.	.	H	α-helix	trans	-67.5	-34.9	178.7	-74.2	177.8	-170.1	146.6	-0.5	113.1	K509 R510 S512 C541 V542 G547 I666	K509-R545 VanDerWaalsContact O-CZ 3.23Å; K509-R545 PolarHBondContact O-NH1 2.98Å; K509-R545 PolarHBondContact O-NH2 2.59Å; R510-R545 PolarHBondContact O-NH1 3.15Å; S512-R545 PolarHBondContact OG-NH2 3.42Å; C541-R545 WeakPolarHBondContact O-CG 3.2Å; C541-R545 PolarHBondContact O-N 2.99Å; V542-R545 PolarHBondContact O-N 2.86Å; R545-G547 PolarHBondContact O-N 2.93Å; R545-I666 HydrophobicContact CG-CB 4.45Å; R545-I666 HydrophobicContact CG-CG1 4.15Å
546	N	89.3	Confident	93	Very high	122 Å²	122	32.8 Å²	32.8	65%	0.652	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.2	175	-67.9	-12.5	0	0	0	112.5	V542 H543 Y548	V542-N546 WeakPolarHBondContact O-CB 3.38Å; V542-N546 VanDerWaalsContact O-CG 3.22Å; V542-N546 PolarHBondContact O-N 2.91Å; V542-N546 PolarHBondContact O-ND2 3.05Å; H543-N546 PolarHBondContact O-N 2.92Å; N546-Y548 PolarHBondContact O-N 2.96Å
547	G	90	Very high	93.1	Very high	22 Å²	22	32.9 Å²	32.9	23%	0.227	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	20.4	-175	0	0	0	0	0	113.2	H543 S544 R545 Y549 N550	H543-G547 PolarHBondContact O-N 2.99Å; S544-G547 PolarHBondContact O-N 3.07Å; S544-G547 VanDerWaalsContact O-N 3.11Å; R545-G547 PolarHBondContact O-N 2.93Å; G547-Y549 VanDerWaalsContact C-N 3.28Å; G547-Y549 PolarHBondContact O-N 2.94Å; G547-N550 WeakPolarHBondContact CA-ND2 3.21Å; G547-N550 VanDerWaalsContact O-CB 3.26Å; G547-N550 WeakPolarHBondContact O-CB 3.49Å; G547-N550 VanDerWaalsContact O-CG 3.26Å; G547-N550 PolarHBondContact O-N 3.3Å; G547-N550 VanDerWaalsContact O-N 3.09Å
548	Y	92.7	Very high	93	Very high	69 Å²	69	34.7 Å²	34.7	27%	0.271	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-44.4	-178.9	-177.1	-95.4	0	0	0	111	H543 N546 N550 H552 P568 E576	H543-Y548 HydrophobicContact CB-CD1 4.31Å; H543-Y548 HydrophobicContact CB-CG 4.35Å; H543-Y548 AromaticContact CE1-CD2 3.92Å; H543-Y548 AromaticContact CE1-CG 3.93Å; H543-Y548 AromaticContact CG-CD1 3.99Å; H543-Y548 AromaticContact ND1-CD1 3.84Å; H543-Y548 AromaticContact ND1-CD2 3.79Å; H543-Y548 AromaticContact ND1-CG 3.47Å; H543-Y548 VanDerWaalsContact O-CB 3.26Å; H543-Y548 WeakPolarHBondContact O-CB 3.35Å; H543-Y548 PolarHBondContact O-N 2.83Å; N546-Y548 PolarHBondContact O-N 2.96Å; Y548-N550 PolarHBondContact O-N 3.34Å; Y548-H552 AromaticContact CD1-NE2 3.65Å; Y548-H552 AromaticContact CE1-NE2 3.57Å; Y548-H552 PolarHBondContact O-CE1 3.2Å; Y548-H552 PolarHBondContact O-ND1 3.23Å; Y548-H552 PolarHBondContact O-NE2 3.44Å; Y548-H552 VanDerWaalsContact O-NE2 3.16Å; Y548-P568 HydrophobicContact CE1-CG 3.84Å; Y548-P568 HydrophobicContact CE2-CG 4.22Å; Y548-P568 VanDerWaalsContact CZ-CG 3.46Å; Y548-P568 WeakPolarHBondContact OH-CG 3.09Å; Y548-E576 PolarHBondContact OH-N 3.33Å
549	Y	94.6	Very high	93	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.2	-179.7	-64.2	-61.8	0	0	0	114.8	F540 H543 G547 G551 H552 S611 F613 I661 I664	F540-Y549 AromaticContact CD2-CE2 3.99Å; F540-Y549 HydrophobicContact CD2-CE2 3.99Å; F540-Y549 HydrophobicContact CE2-CE2 4.23Å; H543-Y549 HydrophobicContact CB-CD2 4Å; H543-Y549 HydrophobicContact CB-CE2 3.42Å; H543-Y549 VanDerWaalsContact CB-CE2 3.42Å; G547-Y549 VanDerWaalsContact C-N 3.28Å; G547-Y549 PolarHBondContact O-N 2.94Å; Y549-G551 PolarHBondContact O-N 2.76Å; Y549-H552 AromaticContact CD1-CD2 3.69Å; Y549-H552 WeakPolarHBondContact O-CB 3.47Å; Y549-H552 PolarHBondContact O-N 3.38Å; Y549-H552 VanDerWaalsContact O-N 3.12Å; Y549-S611 VanDerWaalsContact CE1-O 3.3Å; Y549-S611 WeakPolarHBondContact CE1-O 3.44Å; Y549-S611 PolarHBondContact OH-O 3.39Å; Y549-F613 HydrophobicContact CD1-CE1 4.14Å; Y549-F613 HydrophobicContact CE1-CD1 4.17Å; Y549-F613 AromaticContact CE1-CE1 3.76Å; Y549-F613 HydrophobicContact CE1-CE1 3.76Å; Y549-F613 HydrophobicContact CE2-CE1 4.4Å; Y549-F613 AromaticContact CZ-CE1 3.89Å; Y549-I661 WeakPolarHBondContact O-CB 3.43Å; Y549-I664 HydrophobicContact CD2-CD1 3.63Å; Y549-I664 HydrophobicContact CE2-CD1 4.46Å; Y549-I664 HydrophobicContact CG-CD1 3.89Å
550	N	93.1	Very high	92.9	Very high	74 Å²	74	43.4 Å²	43.4	40%	0.396	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	124.9	-176.2	-62	-1.2	0	0	0	109.9	G547 Y548 H552 N663	G547-N550 WeakPolarHBondContact CA-ND2 3.21Å; G547-N550 VanDerWaalsContact O-CB 3.26Å; G547-N550 WeakPolarHBondContact O-CB 3.49Å; G547-N550 VanDerWaalsContact O-CG 3.26Å; G547-N550 PolarHBondContact O-N 3.3Å; G547-N550 VanDerWaalsContact O-N 3.09Å; Y548-N550 PolarHBondContact O-N 3.34Å; N550-H552 VanDerWaalsContact C-N 3.3Å; N550-H552 PolarHBondContact O-N 2.86Å; N550-N663 VanDerWaalsContact OD1-CA 3.31Å; N550-N663 WeakPolarHBondContact OD1-CA 3.36Å
551	G	92.1	Very high	92.8	Very high	50 Å²	50	45.7 Å²	45.7	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-1	-176.1	0	0	0	0	0	114.9	Y549 I661	Y549-G551 PolarHBondContact O-N 2.76Å; G551-I661 WeakPolarHBondContact CA-O 3.3Å; G551-I661 PolarHBondContact N-O 3.07Å
552	H	94.8	Very high	92.9	Very high	18 Å²	18	46.1 Å²	46.1	8%	0.083	24%	0.239	C	C	.	.			trans	-66.9	136.8	177.1	-72.9	12.9	0	0	0	111.4	Y548 Y549 N550 P568 S660 I661	Y548-H552 AromaticContact CD1-NE2 3.65Å; Y548-H552 AromaticContact CE1-NE2 3.57Å; Y548-H552 PolarHBondContact O-CE1 3.2Å; Y548-H552 PolarHBondContact O-ND1 3.23Å; Y548-H552 PolarHBondContact O-NE2 3.44Å; Y548-H552 VanDerWaalsContact O-NE2 3.16Å; Y549-H552 AromaticContact CD1-CD2 3.69Å; Y549-H552 WeakPolarHBondContact O-CB 3.47Å; Y549-H552 PolarHBondContact O-N 3.38Å; Y549-H552 VanDerWaalsContact O-N 3.12Å; N550-H552 VanDerWaalsContact C-N 3.3Å; N550-H552 PolarHBondContact O-N 2.86Å; H552-P568 VanDerWaalsContact CE1-CA 3.48Å; H552-P568 WeakPolarHBondContact CE1-CA 3.47Å; H552-S660 CarbonylContact O-C 3.57Å; H552-S660 WeakPolarHBondContact O-CA 3.41Å; H552-S660 WeakPolarHBondContact O-CB 3.32Å; H552-I661 PolarHBondContact O-N 2.76Å
553	I	95	Very high	93.1	Very high	28 Å²	28	44.8 Å²	44.8	14%	0.144	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-90.8	154.3	179.7	62.4	169	0	0	0	111.9	H555 T565 D658 I659	I553-H555 VanDerWaalsContact C-N 3.29Å; I553-H555 HydrophobicContact CD1-CB 4.25Å; I553-H555 HydrophobicContact CG1-CB 4.17Å; I553-H555 PolarHBondContact O-N 2.86Å; I553-T565 PolarHBondContact O-OG1 2.93Å; I553-D658 HydrophobicContact CG2-CB 4.24Å; I553-I659 CarbonylContact C-O 3.6Å; I553-I659 VanDerWaalsContact CA-O 3.3Å; I553-I659 WeakPolarHBondContact CA-O 3.4Å
554	F	95.4	Very high	93.2	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.013	23%	0.233	C	C	.	.			trans	-77.1	83.7	163.1	-70.9	-90.8	0	0	0	108.7	T519 R556 V557 I563 Q564 T565 I643 P655 I659 I661	T519-F554 HydrophobicContact CG2-CE2 3.91Å; T519-F554 HydrophobicContact CG2-CZ 4.11Å; F554-R556 VanDerWaalsContact C-N 3.26Å; F554-R556 PolarHBondContact O-N 3.25Å; F554-V557 HydrophobicContact CB-CG2 3.94Å; F554-I563 HydrophobicContact CD1-CB 4.11Å; F554-I563 HydrophobicContact CD1-CD1 4.2Å; F554-I563 HydrophobicContact CD1-CG1 4.27Å; F554-I563 HydrophobicContact CE1-CB 4.42Å; F554-I563 HydrophobicContact CE1-CD1 3.75Å; F554-I563 HydrophobicContact CE1-CG1 4.07Å; F554-I563 HydrophobicContact CZ-CD1 4.45Å; F554-Q564 CarbonylContact C-O 3.47Å; F554-Q564 WeakPolarHBondContact CA-O 3.45Å; F554-T565 HydrophobicContact CD1-CG2 4.15Å; F554-T565 HydrophobicContact CE1-CG2 3.76Å; F554-T565 HydrophobicContact CZ-CG2 4.21Å; F554-I643 HydrophobicContact CD1-CG2 4.44Å; F554-I643 HydrophobicContact CE2-CD1 4.27Å; F554-I643 HydrophobicContact CG-CG2 4.32Å; F554-I643 HydrophobicContact CZ-CD1 4.32Å; F554-P655 VanDerWaalsContact O-CD 3.24Å; F554-P655 WeakPolarHBondContact O-CD 3.47Å; F554-I659 HydrophobicContact CD2-CB 4.11Å; F554-I659 HydrophobicContact CD2-CG2 3.67Å; F554-I659 WeakPolarHBondContact CD2-O 3.47Å; F554-I659 HydrophobicContact CE2-CG2 4.13Å; F554-I659 PolarHBondContact N-O 3.46Å; F554-I661 HydrophobicContact CE2-CG1 4.07Å; F554-I661 HydrophobicContact CZ-CG1 4.33Å
555	H	94.1	Very high	93.3	Very high	12 Å²	12	45 Å²	45	6%	0.056	23%	0.232	C	C	.	.			trans	-72.5	-17.9	-172.7	58.4	-91.5	0	0	0	113.5	I553 Q564 G570	I553-H555 VanDerWaalsContact C-N 3.29Å; I553-H555 HydrophobicContact CD1-CB 4.25Å; I553-H555 HydrophobicContact CG1-CB 4.17Å; I553-H555 PolarHBondContact O-N 2.86Å; H555-Q564 PolarHBondContact N-O 3.1Å; H555-G570 WeakPolarHBondContact CB-O 3.47Å
556	R	94.3	Very high	93.5	Very high	104 Å²	104	39.8 Å²	39.8	39%	0.392	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	120.2	177.6	-174.8	177.7	-170.4	-166.9	4.3	110.9	F554 I558 M562 Q564 D653	F554-R556 VanDerWaalsContact C-N 3.26Å; F554-R556 PolarHBondContact O-N 3.25Å; R556-I558 HydrophobicContact CG-CG1 4.49Å; R556-M562 HydrophobicContact CG-CE 4.44Å; R556-Q564 HydrophobicContact CB-CB 4.21Å; R556-Q564 PolarHBondContact O-N 2.76Å; R556-D653 HydrophobicContact CG-CB 4Å; R556-D653 IonicContact NE-OD2 3.98Å
557	V	95.1	Very high	93.6	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	112.4	-176.5	172.4	0	0	0	0	108.4	F554 I563 I643 V648 D653 P655	F554-V557 HydrophobicContact CB-CG2 3.94Å; V557-I563 HydrophobicContact CG1-CG2 4.13Å; V557-I563 HydrophobicContact CG2-CB 4.5Å; V557-I563 HydrophobicContact CG2-CG2 4.38Å; V557-I643 WeakPolarHBondContact CG1-O 3.48Å; V557-I643 HydrophobicContact CG2-CG2 4.32Å; V557-V648 HydrophobicContact CB-CG1 3.9Å; V557-V648 HydrophobicContact CG1-CG1 4.03Å; V557-D653 PolarHBondContact N-O 2.9Å; V557-P655 HydrophobicContact CB-CG 4.08Å; V557-P655 HydrophobicContact CG2-CG 3.66Å
558	I	93.4	Very high	93.6	Very high	38 Å²	38	36 Å²	36	20%	0.195	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.4	179.6	-59.4	175.2	0	0	0	108.7	R556 S560 F561 M562 D653	R556-I558 HydrophobicContact CG-CG1 4.49Å; I558-S560 PolarHBondContact O-N 2.9Å; I558-F561 HydrophobicContact CB-CB 4.03Å; I558-F561 HydrophobicContact CB-CD1 4.05Å; I558-F561 HydrophobicContact CD1-CD1 3.93Å; I558-F561 HydrophobicContact CD1-CE1 4.41Å; I558-F561 HydrophobicContact CG2-CB 3.71Å; I558-F561 HydrophobicContact CG2-CD1 4.08Å; I558-F561 HydrophobicContact CG2-CG 4.39Å; I558-F561 PolarHBondContact O-N 3.22Å; I558-F561 VanDerWaalsContact O-N 3.11Å; I558-M562 HydrophobicContact CD1-CE 4.29Å; I558-M562 PolarHBondContact N-O 3.43Å; I558-M562 PolarHBondContact O-N 3.14Å; I558-D653 HydrophobicContact CG1-CB 4.04Å
559	K	92.2	Very high	93.4	Very high	138 Å²	138	37 Å²	37	60%	0.6	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	132.5	-179.4	-173.4	173.1	178.9	170.6	0	110.6	F561 N645	K559-F561 PolarHBondContact O-N 3.25Å; K559-N645 VanDerWaalsContact CE-OD1 3.23Å; K559-N645 WeakPolarHBondContact CE-OD1 3.42Å
560	S	91	Very high	93.1	Very high	81 Å²	81	37.4 Å²	37.4	57%	0.566	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	24	-178.4	-54.2	0	0	0	0	114.6	I558 V618	I558-S560 PolarHBondContact O-N 2.9Å; S560-V618 WeakPolarHBondContact O-CG2 3.3Å
561	F	93.1	Very high	92.7	Very high	49 Å²	49	38.5 Å²	38.5	22%	0.215	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-79.7	173.8	-179.6	-134.5	0	0	0	111.9	I558 K559 V617 T620 W622 L623	I558-F561 HydrophobicContact CB-CB 4.03Å; I558-F561 HydrophobicContact CB-CD1 4.05Å; I558-F561 HydrophobicContact CD1-CD1 3.93Å; I558-F561 HydrophobicContact CD1-CE1 4.41Å; I558-F561 HydrophobicContact CG2-CB 3.71Å; I558-F561 HydrophobicContact CG2-CD1 4.08Å; I558-F561 HydrophobicContact CG2-CG 4.39Å; I558-F561 PolarHBondContact O-N 3.22Å; I558-F561 VanDerWaalsContact O-N 3.11Å; K559-F561 PolarHBondContact O-N 3.25Å; F561-V617 VanDerWaalsContact N-CG2 3.3Å; F561-V617 WeakPolarHBondContact O-CG2 3.48Å; F561-V617 PolarHBondContact O-N 2.78Å; F561-T620 HydrophobicContact CD2-CG2 3.79Å; F561-T620 HydrophobicContact CE2-CG2 3.7Å; F561-W622 HydrophobicContact CD2-CZ2 4.05Å; F561-W622 AromaticContact CE2-CZ2 3.71Å; F561-W622 HydrophobicContact CE2-CZ2 3.71Å; F561-W622 AromaticContact CE2-NE1 3.97Å; F561-L623 HydrophobicContact CE2-CD1 4.22Å; F561-L623 HydrophobicContact CZ-CD1 4.25Å
562	M	94	Very high	92.3	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163.2	-179.1	62.1	76.9	178.7	0	0	112.6	R556 I558 Q564 F614 I615	R556-M562 HydrophobicContact CG-CE 4.44Å; I558-M562 HydrophobicContact CD1-CE 4.29Å; I558-M562 PolarHBondContact N-O 3.43Å; I558-M562 PolarHBondContact O-N 3.14Å; M562-Q564 HydrophobicContact CE-CB 4.17Å; M562-Q564 HydrophobicContact SD-CB 3.73Å; M562-F614 HydrophobicContact CB-CB 4.43Å; M562-F614 HydrophobicContact CB-CD2 3.96Å; M562-F614 HydrophobicContact CG-CB 4.43Å; M562-F614 HydrophobicContact CG-CD2 4.19Å; M562-F614 HydrophobicContact CG-CG 4.48Å; M562-F614 HydrophobicContact SD-CB 3.94Å; M562-F614 HydrophobicContact SD-CG 4.46Å; M562-I615 CarbonylContact C-O 3.57Å; M562-I615 VanDerWaalsContact CA-O 3.27Å; M562-I615 WeakPolarHBondContact CA-O 3.32Å; M562-I615 WeakPolarHBondContact CB-O 3.12Å
563	I	96	Very high	91.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.8	169.4	65	174.5	0	0	0	108.6	F554 V557 F614 I615 V640 I643	F554-I563 HydrophobicContact CD1-CB 4.11Å; F554-I563 HydrophobicContact CD1-CD1 4.2Å; F554-I563 HydrophobicContact CD1-CG1 4.27Å; F554-I563 HydrophobicContact CE1-CB 4.42Å; F554-I563 HydrophobicContact CE1-CD1 3.75Å; F554-I563 HydrophobicContact CE1-CG1 4.07Å; F554-I563 HydrophobicContact CZ-CD1 4.45Å; V557-I563 HydrophobicContact CG1-CG2 4.13Å; V557-I563 HydrophobicContact CG2-CB 4.5Å; V557-I563 HydrophobicContact CG2-CG2 4.38Å; I563-F614 CarbonylContact O-C 3.3Å; I563-F614 WeakPolarHBondContact O-CA 3.5Å; I563-F614 WeakPolarHBondContact O-CB 3.43Å; I563-I615 HydrophobicContact CD1-CB 4.41Å; I563-I615 HydrophobicContact CG1-CB 3.91Å; I563-I615 PolarHBondContact N-O 3.05Å; I563-I615 PolarHBondContact O-N 2.99Å; I563-V640 HydrophobicContact CD1-CB 4.39Å; I563-V640 HydrophobicContact CD1-CG1 3.67Å; I563-V640 HydrophobicContact CG1-CG1 4.21Å; I563-I643 HydrophobicContact CB-CG2 4.3Å; I563-I643 HydrophobicContact CD1-CB 4.18Å; I563-I643 HydrophobicContact CD1-CD1 4.24Å; I563-I643 HydrophobicContact CD1-CG2 3.97Å; I563-I643 HydrophobicContact CG2-CB 4.47Å; I563-I643 HydrophobicContact CG2-CG2 3.93Å
564	Q	95.8	Very high	91.4	Very high	19 Å²	19	44.8 Å²	44.8	9%	0.089	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140	-174.8	177.8	179.7	-11	0	0	111.3	F554 H555 R556 M562 A602 F614	F554-Q564 CarbonylContact C-O 3.47Å; F554-Q564 WeakPolarHBondContact CA-O 3.45Å; H555-Q564 PolarHBondContact N-O 3.1Å; R556-Q564 HydrophobicContact CB-CB 4.21Å; R556-Q564 PolarHBondContact O-N 2.76Å; M562-Q564 HydrophobicContact CE-CB 4.17Å; M562-Q564 HydrophobicContact SD-CB 3.73Å; Q564-A602 HydrophobicContact CG-CB 4.44Å; Q564-F614 HydrophobicContact CB-CB 3.99Å; Q564-F614 HydrophobicContact CG-CB 4.39Å
565	T	95.3	Very high	91	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	-169.6	-178.8	-168.6	0	0	0	0	110.5	I553 F554 Q612 F613 I661	I553-T565 PolarHBondContact O-OG1 2.93Å; F554-T565 HydrophobicContact CD1-CG2 4.15Å; F554-T565 HydrophobicContact CE1-CG2 3.76Å; F554-T565 HydrophobicContact CZ-CG2 4.21Å; T565-Q612 WeakPolarHBondContact O-CA 3.48Å; T565-F613 HydrophobicContact CG2-CD1 4.49Å; T565-F613 HydrophobicContact CG2-CD2 4.09Å; T565-F613 HydrophobicContact CG2-CE1 3.95Å; T565-F613 HydrophobicContact CG2-CE2 3.5Å; T565-F613 HydrophobicContact CG2-CZ 3.42Å; T565-F613 VanDerWaalsContact CG2-CZ 3.42Å; T565-F613 PolarHBondContact N-O 3.1Å; T565-F613 PolarHBondContact O-N 3.16Å; T565-I661 HydrophobicContact CG2-CD1 3.85Å
566	G	91.4	Very high	90.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.			trans	92	10.3	175.6	0	0	0	0	0	115.3	S611	G566-S611 CarbonylContact O-C 3.56Å; G566-S611 WeakPolarHBondContact O-CB 3.47Å; G566-S611 PolarHBondContact O-OG 3.4Å
567	D	92.8	Very high	90.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	27%	0.268	C	S	.	.			trans	-102.4	118.9	171.8	176.7	6.4	0	0	0	110	T569 G570 T571 G572 M573 G574 Q612	D567-T569 VanDerWaalsContact CG-OG1 3.23Å; D567-T569 PolarHBondContact O-N 3.3Å; D567-T569 PolarHBondContact OD1-N 3Å; D567-T569 PolarHBondContact OD1-OG1 3.12Å; D567-T569 PolarHBondContact OD2-OG1 3.49Å; D567-G570 PolarHBondContact O-N 3.36Å; D567-G570 PolarHBondContact OD2-N 3.41Å; D567-T571 PolarHBondContact OD2-N 3.04Å; D567-T571 PolarHBondContact OD2-OG1 3.31Å; D567-G572 WeakPolarHBondContact OD2-CA 3.16Å; D567-G572 PolarHBondContact OD2-N 2.93Å; D567-M573 PolarHBondContact OD2-N 3.37Å; D567-G574 VanDerWaalsContact OD1-C 3.26Å; D567-G574 WeakPolarHBondContact OD1-CA 3.42Å; D567-G574 PolarHBondContact OD1-N 3.3Å; D567-G574 PolarHBondContact OD2-N 2.85Å; D567-Q612 HydrophobicContact CB-CG 3.98Å
568	P	90.5	Very high	90.7	Very high	63 Å²	63	48.6 Å²	48.6	41%	0.409	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.1	176.3	-21.2	30	0	0	0	114.5	Y548 H552	Y548-P568 HydrophobicContact CE1-CG 3.84Å; Y548-P568 HydrophobicContact CE2-CG 4.22Å; Y548-P568 VanDerWaalsContact CZ-CG 3.46Å; Y548-P568 WeakPolarHBondContact OH-CG 3.09Å; H552-P568 VanDerWaalsContact CE1-CA 3.48Å; H552-P568 WeakPolarHBondContact CE1-CA 3.47Å
569	T	88.2	Confident	90.5	Very high	89 Å²	89	52.5 Å²	52.5	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.8	-178.9	68.2	0	0	0	0	112.4	D567 T571	D567-T569 VanDerWaalsContact CG-OG1 3.23Å; D567-T569 PolarHBondContact O-N 3.3Å; D567-T569 PolarHBondContact OD1-N 3Å; D567-T569 PolarHBondContact OD1-OG1 3.12Å; D567-T569 PolarHBondContact OD2-OG1 3.49Å; T569-T571 PolarHBondContact O-N 2.81Å; T569-T571 PolarHBondContact OG1-OG1 3.15Å
570	G	87.3	Confident	90.2	Very high	10 Å²	10	48.6 Å²	48.6	10%	0.103	29%	0.29	C	S	.	.	S	Bend	trans	64.6	24.3	-176.8	0	0	0	0	0	114.2	H555 D567	H555-G570 WeakPolarHBondContact CB-O 3.47Å; D567-G570 PolarHBondContact O-N 3.36Å; D567-G570 PolarHBondContact OD2-N 3.41Å
571	T	85.4	Confident	90.1	Very high	96 Å²	96	46 Å²	46	59%	0.589	28%	0.277	S	S	*	.	S	Bend	trans	-105	-16.9	-178.1	63.1	0	0	0	0	113.2	D567 T569 M573	D567-T571 PolarHBondContact OD2-N 3.04Å; D567-T571 PolarHBondContact OD2-OG1 3.31Å; T569-T571 PolarHBondContact O-N 2.81Å; T569-T571 PolarHBondContact OG1-OG1 3.15Å; T571-M573 PolarHBondContact OG1-N 3.36Å
572	G	83.9	Confident	90.1	Very high	28 Å²	28	49.9 Å²	49.9	29%	0.289	30%	0.295	S	S	.	.	S	Bend	trans	88.1	-4.8	-171.7	0	0	0	0	0	114.2	D567 Q612	D567-G572 WeakPolarHBondContact OD2-CA 3.16Å; D567-G572 PolarHBondContact OD2-N 2.93Å; G572-Q612 PolarHBondContact O-NE2 2.9Å
573	M	84.9	Confident	90	Very high	185 Å²	185	50.3 Å²	50.3	91%	0.911	30%	0.297	S	S	*	.	S	Bend	trans	-106.6	-10.2	-176.9	-64.3	-174.5	178.3	0	0	114	D567 T571	D567-M573 PolarHBondContact OD2-N 3.37Å; T571-M573 PolarHBondContact OG1-N 3.36Å
574	G	85.1	Confident	89.9	Confident	16 Å²	16	55.5 Å²	55.5	17%	0.165	32%	0.321	C	S	.	.			trans	-101.6	172.6	-177	0	0	0	0	0	113.9	D567 Q612	D567-G574 VanDerWaalsContact OD1-C 3.26Å; D567-G574 WeakPolarHBondContact OD1-CA 3.42Å; D567-G574 PolarHBondContact OD1-N 3.3Å; D567-G574 PolarHBondContact OD2-N 2.85Å; G574-Q612 PolarHBondContact O-NE2 2.91Å
575	G	88.1	Confident	89.7	Confident	30 Å²	30	56 Å²	56	31%	0.309	32%	0.324	S	S	.	.			trans	109.9	132.7	176	0	0	0	0	0	113.2	S611	G575-S611 WeakPolarHBondContact CA-OG 3.34Å
576	E	91.5	Very high	89.5	Confident	117 Å²	117	57.3 Å²	57.3	55%	0.547	33%	0.33	S	S	.	.			trans	-127.8	154.6	-177.8	-67.7	179.6	179.6	0	0	109.8	H543 Y548 S611	H543-E576 PolarHBondContact NE2-O 2.92Å; Y548-E576 PolarHBondContact OH-N 3.33Å; E576-S611 WeakPolarHBondContact O-CB 3.39Å
577	S	93.2	Very high	89.5	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.035	35%	0.349	C	S	.	.			trans	-68.9	168.1	172.6	72.8	0	0	0	0	111.8	N539 W579 G580 G581	N539-S577 VanDerWaalsContact OD1-CA 3.26Å; N539-S577 WeakPolarHBondContact OD1-CA 3.47Å; N539-S577 WeakPolarHBondContact OD1-CB 3.46Å; S577-W579 PolarHBondContact O-N 2.85Å; S577-W579 PolarHBondContact OG-N 2.7Å; S577-G580 PolarHBondContact O-N 3.19Å; S577-G581 WeakPolarHBondContact CB-O 3.23Å; S577-G581 PolarHBondContact N-O 3.29Å; S577-G581 PolarHBondContact OG-O 3.46Å
578	I	91.7	Very high	89.3	Confident	48 Å²	48	65 Å²	65	25%	0.246	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.4	174.7	62.8	167.2	0	0	0	113.6	E538 N539 V542 H543	E538-I578 HydrophobicContact CG-CD1 4.08Å; N539-I578 HydrophobicContact CB-CG1 4.42Å; N539-I578 PolarHBondContact OD1-N 3.38Å; V542-I578 HydrophobicContact CB-CD1 4.06Å; V542-I578 HydrophobicContact CB-CG2 3.95Å; V542-I578 HydrophobicContact CG1-CB 4.3Å; V542-I578 HydrophobicContact CG1-CD1 4.2Å; V542-I578 HydrophobicContact CG1-CG2 3.75Å; V542-I578 HydrophobicContact CG2-CD1 4.19Å; H543-I578 PolarHBondContact NE2-N 2.94Å
579	W	89.9	Confident	89.2	Confident	120 Å²	120	66.2 Å²	66.2	46%	0.455	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	4.7	178.1	-55.6	-75.4	0	0	0	113.5	K535 N539 S577 F583	K535-W579 HydrophobicContact CB-CH2 4Å; K535-W579 HydrophobicContact CG-CH2 4.47Å; K535-W579 WeakPolarHBondContact O-CH2 3.25Å; N539-W579 HydrophobicContact CB-CH2 4.12Å; N539-W579 HydrophobicContact CB-CZ3 3.96Å; S577-W579 PolarHBondContact O-N 2.85Å; S577-W579 PolarHBondContact OG-N 2.7Å; W579-F583 HydrophobicContact CE3-CB 4.29Å; W579-F583 HydrophobicContact CE3-CD1 4.36Å; W579-F583 HydrophobicContact CE3-CG 4.38Å; W579-F583 HydrophobicContact CZ3-CB 4.23Å; W579-F583 HydrophobicContact CZ3-CD1 4Å; W579-F583 HydrophobicContact CZ3-CD2 4.33Å; W579-F583 HydrophobicContact CZ3-CE1 4.44Å; W579-F583 AromaticContact CZ3-CG 3.93Å; W579-F583 HydrophobicContact CZ3-CG 3.93Å
580	G	85.3	Confident	89.2	Confident	55 Å²	55	66.1 Å²	66.1	57%	0.567	37%	0.374	S	S	*	.	S	Bend	trans	79.2	29.1	175.7	0	0	0	0	0	114.5	S577	S577-G580 PolarHBondContact O-N 3.19Å
581	G	89.7	Confident	89.4	Confident	28 Å²	28	66.3 Å²	66.3	29%	0.289	37%	0.373	S	S	.	.	S	Bend	trans	-174.1	-159.1	179	0	0	0	0	0	112.3	S577	S577-G581 WeakPolarHBondContact CB-O 3.23Å; S577-G581 PolarHBondContact N-O 3.29Å; S577-G581 PolarHBondContact OG-O 3.46Å
582	E	91.9	Very high	89.7	Confident	129 Å²	129	65 Å²	65	60%	0.603	36%	0.357	S	S	*	.			trans	-89	157.3	174.4	-65.3	176.2	168	0	0	111.9	T608 N609	E582-T608 WeakPolarHBondContact OE2-CB 2.87Å; E582-T608 WeakPolarHBondContact OE2-CG2 2.98Å; E582-N609 CarbonylContact C-O 3.59Å; E582-N609 VanDerWaalsContact CA-O 3.25Å; E582-N609 WeakPolarHBondContact CA-O 2.89Å
583	F	93.1	Very high	90.1	Very high	17 Å²	17	63.7 Å²	63.7	8%	0.075	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-135.4	163.2	175.3	72.7	-83.7	0	0	0	113.7	T536 N539 W579 M601 G607 N609 G610	T536-F583 HydrophobicContact CG2-CZ 4.38Å; N539-F583 HydrophobicContact CB-CE1 4.26Å; N539-F583 HydrophobicContact CB-CZ 4.26Å; W579-F583 HydrophobicContact CE3-CB 4.29Å; W579-F583 HydrophobicContact CE3-CD1 4.36Å; W579-F583 HydrophobicContact CE3-CG 4.38Å; W579-F583 HydrophobicContact CZ3-CB 4.23Å; W579-F583 HydrophobicContact CZ3-CD1 4Å; W579-F583 HydrophobicContact CZ3-CD2 4.33Å; W579-F583 HydrophobicContact CZ3-CE1 4.44Å; W579-F583 AromaticContact CZ3-CG 3.93Å; W579-F583 HydrophobicContact CZ3-CG 3.93Å; F583-M601 HydrophobicContact CE1-CE 4.13Å; F583-M601 HydrophobicContact CZ-CE 4.01Å; F583-G607 CarbonylContact C-O 3.52Å; F583-G607 CarbonylContact O-C 3.59Å; F583-G607 VanDerWaalsContact O-C 3.23Å; F583-G607 VanDerWaalsContact O-O 3.05Å; F583-N609 HydrophobicContact CD1-CB 3.68Å; F583-N609 WeakPolarHBondContact CD1-O 3.46Å; F583-N609 HydrophobicContact CD2-CB 4.02Å; F583-N609 HydrophobicContact CE1-CB 3.39Å; F583-N609 WeakPolarHBondContact CE1-O 3.48Å; F583-N609 HydrophobicContact CE2-CB 3.74Å; F583-N609 HydrophobicContact CG-CB 4Å; F583-N609 HydrophobicContact CZ-CB 3.42Å; F583-N609 VanDerWaalsContact CZ-CB 3.42Å; F583-N609 PolarHBondContact N-O 2.87Å; F583-N609 WeakPolarHBondContact O-CB 3.39Å; F583-N609 PolarHBondContact O-N 2.98Å; F583-N609 VanDerWaalsContact O-N 3.09Å; F583-G610 WeakPolarHBondContact CE1-O 3.33Å
584	E	92.3	Very high	90.3	Very high	109 Å²	109	58.6 Å²	58.6	51%	0.509	32%	0.32	S	S	.	.			trans	-64.2	158	-173.8	67.4	-168.2	167.9	0	0	114.5	K535 N609	K535-E584 IonicContact NZ-OE1 3.8Å; K535-E584 PolarHBondContact NZ-OE1 2.84Å; E584-N609 PolarHBondContact O-ND2 2.79Å
585	D	91.8	Very high	90.6	Very high	30 Å²	30	64.8 Å²	64.8	16%	0.16	34%	0.339	C	S	.	.			trans	-82.1	140.1	174.3	-65.7	-52.3	0	0	0	111.9	F587 N603 A606 G607 N609 T628	D585-F587 HydrophobicContact CB-CD1 4.45Å; D585-F587 HydrophobicContact CB-CD2 4.27Å; D585-F587 HydrophobicContact CB-CE1 3.82Å; D585-F587 HydrophobicContact CB-CE2 3.6Å; D585-F587 HydrophobicContact CB-CZ 3.34Å; D585-N603 PolarHBondContact OD1-ND2 2.81Å; D585-A606 WeakPolarHBondContact OD2-CA 3.44Å; D585-G607 PolarHBondContact OD2-N 2.76Å; D585-N609 WeakPolarHBondContact CA-ND2 3.46Å; D585-N609 PolarHBondContact OD1-ND2 2.84Å; D585-N609 PolarHBondContact OD1-OD1 3.46Å; D585-T628 WeakPolarHBondContact CA-OG1 3.44Å
586	E	91.8	Very high	90.8	Very high	27 Å²	27	65.8 Å²	65.8	13%	0.126	34%	0.339	C	S	.	.			trans	-114	82.8	179.5	-66.1	178	122.5	0	0	110.4	C533 P534 K535 T536 T628	C533-E586 WeakPolarHBondContact CA-OE2 3.45Å; C533-E586 HydrophobicContact CB-CB 4.15Å; C533-E586 PolarHBondContact SG-O 3.17Å; P534-E586 WeakPolarHBondContact CD-OE1 3.29Å; P534-E586 WeakPolarHBondContact CG-OE1 3.36Å; K535-E586 WeakPolarHBondContact CB-OE1 3.31Å; K535-E586 PolarHBondContact N-OE1 2.96Å; K535-E586 PolarHBondContact N-OE2 2.95Å; T536-E586 VanDerWaalsContact CB-OE2 3.31Å; T536-E586 WeakPolarHBondContact CB-OE2 3.3Å; T536-E586 PolarHBondContact N-OE2 3.18Å; T536-E586 PolarHBondContact OG1-OE2 2.87Å; E586-T628 HydrophobicContact CB-CG2 3.92Å; E586-T628 PolarHBondContact N-OG1 3.44Å; E586-T628 WeakPolarHBondContact O-CG2 3.48Å
587	F	91.6	Very high	91	Very high	91 Å²	91	61.4 Å²	61.4	40%	0.399	32%	0.318	S	S	.	.			trans	-86.5	127.7	179	-53.9	-50.8	0	0	0	112.1	D585 N625	D585-F587 HydrophobicContact CB-CD1 4.45Å; D585-F587 HydrophobicContact CB-CD2 4.27Å; D585-F587 HydrophobicContact CB-CE1 3.82Å; D585-F587 HydrophobicContact CB-CE2 3.6Å; D585-F587 HydrophobicContact CB-CZ 3.34Å; F587-N625 VanDerWaalsContact CE1-C 3.46Å; F587-N625 WeakPolarHBondContact CE2-O 3.49Å; F587-N625 HydrophobicContact CG-CB 4.5Å; F587-N625 VanDerWaalsContact CZ-C 3.41Å; F587-N625 VanDerWaalsContact CZ-O 3.24Å; F587-N625 WeakPolarHBondContact CZ-O 3.36Å
588	H	89.2	Confident	91.1	Very high	73 Å²	73	61.2 Å²	61.2	34%	0.338	32%	0.316	S	S	.	.			trans	-121.3	142	175.1	-163	-86.9	0	0	0	111.1	E532 T590 L591 R592	E532-H588 HydrophobicContact CB-CB 4.12Å; E532-H588 HydrophobicContact CG-CB 4.47Å; H588-T590 VanDerWaalsContact C-N 3.28Å; H588-T590 PolarHBondContact CE1-OG1 3.27Å; H588-T590 PolarHBondContact ND1-N 3.42Å; H588-T590 PolarHBondContact ND1-OG1 2.88Å; H588-T590 PolarHBondContact O-N 2.98Å; H588-L591 HydrophobicContact CB-CB 4.35Å; H588-L591 HydrophobicContact CB-CD1 4.07Å; H588-L591 HydrophobicContact CB-CG 4.07Å; H588-L591 PolarHBondContact O-N 3.19Å; H588-L591 VanDerWaalsContact O-N 3.16Å; H588-R592 PolarHBondContact O-NH1 3.3Å
589	S	87.1	Confident	91.3	Very high	88 Å²	88	58.9 Å²	58.9	62%	0.615	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.9	-173.4	60.6	0	0	0	0	114.1	R592	S589-R592 VanDerWaalsContact O-CZ 3.23Å; S589-R592 PolarHBondContact O-NH1 3.23Å; S589-R592 PolarHBondContact O-NH2 3.48Å
590	T	88.8	Confident	91.6	Very high	87 Å²	87	53.2 Å²	53.2	53%	0.534	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.6	178.7	61.8	0	0	0	0	113.5	H588	H588-T590 VanDerWaalsContact C-N 3.28Å; H588-T590 PolarHBondContact CE1-OG1 3.27Å; H588-T590 PolarHBondContact ND1-N 3.42Å; H588-T590 PolarHBondContact ND1-OG1 2.88Å; H588-T590 PolarHBondContact O-N 2.98Å
591	L	91.6	Very high	92.1	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.073	26%	0.256	C	S	.	.			trans	-101.2	112.3	-176	-57.7	-175.9	0	0	0	109.5	F529 E532 H588 V629	F529-L591 HydrophobicContact CB-CD1 4.19Å; F529-L591 HydrophobicContact CD2-CD1 3.94Å; F529-L591 HydrophobicContact CD2-CD2 3.6Å; F529-L591 HydrophobicContact CD2-CG 4.43Å; F529-L591 HydrophobicContact CE2-CD2 3.76Å; F529-L591 HydrophobicContact CG-CD1 4.37Å; F529-L591 HydrophobicContact CG-CD2 4.17Å; F529-L591 HydrophobicContact CZ-CD2 4.45Å; E532-L591 HydrophobicContact CB-CD1 3.61Å; E532-L591 HydrophobicContact CB-CG 4.49Å; E532-L591 HydrophobicContact CG-CD1 4.1Å; H588-L591 HydrophobicContact CB-CB 4.35Å; H588-L591 HydrophobicContact CB-CD1 4.07Å; H588-L591 HydrophobicContact CB-CG 4.07Å; H588-L591 PolarHBondContact O-N 3.19Å; H588-L591 VanDerWaalsContact O-N 3.16Å; L591-V629 HydrophobicContact CB-CB 4.05Å; L591-V629 HydrophobicContact CB-CG1 4.15Å; L591-V629 WeakPolarHBondContact CD1-O 3.44Å
592	R	91.1	Very high	92.3	Very high	68 Å²	68	49.9 Å²	49.9	26%	0.257	25%	0.248	S	C	.	.			trans	-138.6	159.6	-175.3	-63.1	-71.3	-180	-97.7	7.5	110.3	H588 S589 D594 D624 R632	H588-R592 PolarHBondContact O-NH1 3.3Å; S589-R592 VanDerWaalsContact O-CZ 3.23Å; S589-R592 PolarHBondContact O-NH1 3.23Å; S589-R592 PolarHBondContact O-NH2 3.48Å; R592-D594 HydrophobicContact CB-CB 4.3Å; R592-D594 PolarHBondContact O-N 3.18Å; R592-D624 WeakPolarHBondContact CA-OD1 3.33Å; R592-D624 VanDerWaalsContact CD-CG 3.48Å; R592-D624 VanDerWaalsContact CD-OD2 3.32Å; R592-D624 WeakPolarHBondContact CD-OD2 3.48Å; R592-R632 PolarHBondContact O-NH2 2.97Å
593	H	93.1	Very high	92.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-86.3	40.4	170.9	-57.7	84.9	0	0	0	111	R595 S600 T620 D624 V629	H593-R595 PolarHBondContact O-N 3.34Å; H593-S600 PolarHBondContact NE2-OG 2.74Å; H593-T620 VanDerWaalsContact CB-O 3.29Å; H593-T620 WeakPolarHBondContact CB-O 3.24Å; H593-T620 WeakPolarHBondContact CB-OG1 3.43Å; H593-T620 PolarHBondContact O-N 2.69Å; H593-D624 WeakPolarHBondContact CB-OD1 3.28Å; H593-D624 IonicContact CE1-OD1 2.65Å; H593-D624 IonicContact CG-OD1 3.64Å; H593-D624 PolarHBondContact N-OD1 3.24Å; H593-D624 IonicContact ND1-OD1 3.74Å; H593-D624 PolarHBondContact ND1-OD1 2.82Å; H593-V629 WeakPolarHBondContact CE1-CG2 3.49Å
594	D	89.4	Confident	91.9	Very high	78 Å²	78	49.2 Å²	49.2	42%	0.417	26%	0.263	S	S	.	.			trans	-73.9	-16.5	-179.7	68.3	-40.4	0	0	0	112.7	R592 R632	R592-D594 HydrophobicContact CB-CB 4.3Å; R592-D594 PolarHBondContact O-N 3.18Å; D594-R632 IonicContact OD1-CZ 2.71Å; D594-R632 IonicContact OD1-NH1 3.09Å; D594-R632 IonicContact OD1-NH2 3.06Å; D594-R632 PolarHBondContact OD1-NH2 2.55Å
595	R	89.8	Confident	91.6	Very high	147 Å²	147	45.6 Å²	45.6	56%	0.555	26%	0.255	S	S	*	.	S	Bend	trans	-130.9	149.9	-174	-65.4	171.3	-161.3	-158.8	-2.5	111.3	H593 T598	H593-R595 PolarHBondContact O-N 3.34Å; R595-T598 PolarHBondContact O-OG1 3.46Å
596	P	92.6	Very high	91.3	Very high	50 Å²	50	48.6 Å²	48.6	33%	0.325	28%	0.284	S	S	.	.	S	Bend	trans	-63.8	162.3	169.4	31.5	-36.5	0	0	0	110.9	T598 V617	P596-T598 VanDerWaalsContact C-N 3.29Å; P596-T598 PolarHBondContact O-N 3.46Å; P596-V617 VanDerWaalsContact CB-O 3.25Å; P596-V617 WeakPolarHBondContact CB-O 3.39Å
597	Y	95.8	Very high	91	Very high	26 Å²	26	48.6 Å²	48.6	10%	0.102	29%	0.291	C	S	.	.	S	Bend	trans	63.8	32.7	179	-36.2	-74.1	0	0	0	114.4	T616 C633 M637 V640 Q641	Y597-T616 WeakPolarHBondContact CA-O 3.31Å; Y597-T616 PolarHBondContact N-O 2.87Å; Y597-T616 PolarHBondContact N-OG1 2.95Å; Y597-C633 HydrophobicContact CG-CB 4.48Å; Y597-C633 PolarHBondContact O-N 2.76Å; Y597-M637 HydrophobicContact CD1-CB 4.22Å; Y597-M637 HydrophobicContact CD1-CG 4.19Å; Y597-M637 HydrophobicContact CD2-CB 4.24Å; Y597-M637 HydrophobicContact CD2-CE 4.03Å; Y597-M637 HydrophobicContact CD2-CG 3.67Å; Y597-M637 HydrophobicContact CD2-SD 3.61Å; Y597-M637 HydrophobicContact CE1-CB 3.86Å; Y597-M637 HydrophobicContact CE1-CG 4.27Å; Y597-M637 HydrophobicContact CE2-CB 3.9Å; Y597-M637 HydrophobicContact CE2-CG 3.78Å; Y597-M637 HydrophobicContact CE2-SD 3.58Å; Y597-M637 VanDerWaalsContact CE2-SD 3.58Å; Y597-M637 HydrophobicContact CG-CB 4.37Å; Y597-M637 HydrophobicContact CG-CG 3.87Å; Y597-M637 HydrophobicContact CG-SD 4.39Å; Y597-V640 HydrophobicContact CD1-CB 4.09Å; Y597-V640 HydrophobicContact CD1-CG1 4.03Å; Y597-V640 HydrophobicContact CE1-CB 4.27Å; Y597-V640 HydrophobicContact CE1-CG1 4.41Å; Y597-Q641 HydrophobicContact CE1-CG 4.14Å; Y597-Q641 PolarHBondContact OH-NE2 3.32Å
598	T	95.9	Very high	91	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134	172.3	-60.3	0	0	0	0	109.2	R595 P596 I615 T616 V629	R595-T598 PolarHBondContact O-OG1 3.46Å; P596-T598 VanDerWaalsContact C-N 3.29Å; P596-T598 PolarHBondContact O-N 3.46Å; T598-I615 WeakPolarHBondContact O-CA 3.34Å; T598-T616 PolarHBondContact N-OG1 2.68Å; T598-T616 VanDerWaalsContact N-OG1 3.14Å; T598-T616 PolarHBondContact O-N 2.83Å; T598-V629 HydrophobicContact CG2-CB 4.37Å; T598-V629 HydrophobicContact CG2-CG1 3.45Å; T598-V629 VanDerWaalsContact CG2-CG1 3.45Å; T598-V629 HydrophobicContact CG2-CG2 4.06Å
599	L	96.4	Very high	91.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.1	179.4	177.8	74.5	0	0	0	109.3	L526 L528 F613 I615 F630 G631	L526-L599 HydrophobicContact CD1-CD2 3.8Å; L526-L599 HydrophobicContact CD2-CD2 4.34Å; L528-L599 HydrophobicContact CD2-CD2 3.96Å; L599-F613 HydrophobicContact CD1-CD2 3.38Å; L599-F613 HydrophobicContact CD1-CE2 3.85Å; L599-F613 HydrophobicContact CD1-CG 4.2Å; L599-I615 HydrophobicContact CD1-CD1 4.26Å; L599-I615 HydrophobicContact CD1-CG1 3.6Å; L599-F630 HydrophobicContact CD1-CE1 4.49Å; L599-F630 HydrophobicContact CD1-CZ 4.02Å; L599-F630 HydrophobicContact CD2-CD2 3.86Å; L599-F630 HydrophobicContact CD2-CE1 4.27Å; L599-F630 HydrophobicContact CD2-CE2 3.28Å; L599-F630 HydrophobicContact CD2-CZ 3.53Å; L599-F630 HydrophobicContact CG-CD1 4.42Å; L599-F630 HydrophobicContact CG-CD2 4.39Å; L599-F630 HydrophobicContact CG-CE1 3.84Å; L599-F630 HydrophobicContact CG-CE2 3.8Å; L599-F630 HydrophobicContact CG-CZ 3.5Å; L599-F630 VanDerWaalsContact CG-CZ 3.5Å; L599-F630 PolarHBondContact O-N 3.34Å; L599-G631 WeakPolarHBondContact CB-O 3.21Å; L599-G631 PolarHBondContact N-O 3.24Å; L599-G631 PolarHBondContact O-N 2.88Å
600	S	96.1	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.8	-175.3	-57.8	0	0	0	0	112.6	H593 F613 F614 T628 V629	H593-S600 PolarHBondContact NE2-OG 2.74Å; S600-F613 CarbonylContact O-C 3.54Å; S600-F613 WeakPolarHBondContact O-CA 3.45Å; S600-F613 WeakPolarHBondContact O-CB 3.11Å; S600-F614 PolarHBondContact N-O 3.07Å; S600-F614 PolarHBondContact O-N 3.2Å; S600-T628 CarbonylContact C-O 3.4Å; S600-T628 WeakPolarHBondContact CA-O 3.48Å; S600-T628 WeakPolarHBondContact CB-O 3.45Å; S600-V629 WeakPolarHBondContact OG-CG2 3.46Å
601	M	95.6	Very high	91.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.1	177.5	-70.3	-59.3	-66.7	0	0	111.6	T536 F583 N609 G610 Q612 F613 F614 H627 T628 F630	T536-M601 HydrophobicContact CG2-CG 3.4Å; T536-M601 HydrophobicContact CG2-SD 3.74Å; F583-M601 HydrophobicContact CE1-CE 4.13Å; F583-M601 HydrophobicContact CZ-CE 4.01Å; M601-N609 VanDerWaalsContact CB-OD1 3.26Å; M601-N609 WeakPolarHBondContact CB-OD1 3.41Å; M601-N609 HydrophobicContact CE-CB 4.1Å; M601-G610 VanDerWaalsContact CE-O 3.28Å; M601-G610 WeakPolarHBondContact CE-O 3.12Å; M601-Q612 WeakPolarHBondContact CE-O 3.19Å; M601-F613 HydrophobicContact SD-CB 4.42Å; M601-F614 VanDerWaalsContact O-CE1 3.3Å; M601-F614 WeakPolarHBondContact O-CE1 3.46Å; M601-H627 PolarHBondContact O-ND1 2.77Å; M601-H627 VanDerWaalsContact O-ND1 3.13Å; M601-T628 PolarHBondContact N-O 3.42Å; M601-F630 HydrophobicContact CG-CD1 3.92Å; M601-F630 HydrophobicContact CG-CE1 3.86Å; M601-F630 HydrophobicContact SD-CD1 4.15Å; M601-F630 HydrophobicContact SD-CE1 3.58Å; M601-F630 VanDerWaalsContact SD-CE1 3.58Å; M601-F630 HydrophobicContact SD-CZ 4.1Å
602	A	93.3	Very high	91.8	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	22%	0.216	C	C	.	.			trans	-88.9	121.3	168.1	0	0	0	0	0	108.5	Q564 Q612 F614	Q564-A602 HydrophobicContact CG-CB 4.44Å; A602-Q612 HydrophobicContact CB-CB 3.78Å; A602-Q612 PolarHBondContact N-O 2.73Å; A602-F614 HydrophobicContact CB-CD1 4.11Å
603	N	91.3	Very high	92.1	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.16	20%	0.204	C	C	.	.			trans	-128.1	159.2	179.1	62.6	15.5	0	0	0	109.9	D585 K626 H627	D585-N603 PolarHBondContact OD1-ND2 2.81Å; N603-K626 PolarHBondContact ND2-O 3.5Å; N603-H627 PolarHBondContact OD1-CE1 2.86Å; N603-H627 PolarHBondContact OD1-ND1 3.22Å
604	A	85.6	Confident	92.3	Very high	102 Å²	102	31.9 Å²	31.9	84%	0.843	21%	0.205	S	C	*	.	S	Bend	trans	-97.2	8.2	178.3	0	0	0	0	0	112.8	T608	A604-T608 PolarHBondContact N-OG1 3Å
605	G	86	Confident	92.6	Very high	32 Å²	32	28.2 Å²	28.2	33%	0.33	19%	0.186	S	C	.	.	S	Bend	trans	154.5	174.5	-170.5	0	0	0	0	0	110.7	G607 T608	G605-G607 PolarHBondContact O-N 3.34Å; G605-T608 PolarHBondContact N-OG1 3.17Å; G605-T608 PolarHBondContact O-N 3.15Å; G605-T608 PolarHBondContact O-OG1 2.59Å
606	A	85.9	Confident	93	Very high	94 Å²	94	21.2 Å²	21.2	78%	0.777	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	129	-179.6	0	0	0	0	0	111.2	D585	D585-A606 WeakPolarHBondContact OD2-CA 3.44Å
607	G	85.1	Confident	93.1	Very high	27 Å²	27	19.5 Å²	19.5	28%	0.278	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	20.8	176.6	0	0	0	0	0	115.8	F583 D585 G605	F583-G607 CarbonylContact C-O 3.52Å; F583-G607 CarbonylContact O-C 3.59Å; F583-G607 VanDerWaalsContact O-C 3.23Å; F583-G607 VanDerWaalsContact O-O 3.05Å; D585-G607 PolarHBondContact OD2-N 2.76Å; G605-G607 PolarHBondContact O-N 3.34Å
608	T	90.9	Very high	93	Very high	30 Å²	30	20.5 Å²	20.5	18%	0.184	16%	0.157	C	C	.	.			trans	-108.6	36.7	-178.4	62.2	0	0	0	0	112.3	E582 A604 G605	E582-T608 WeakPolarHBondContact OE2-CB 2.87Å; E582-T608 WeakPolarHBondContact OE2-CG2 2.98Å; A604-T608 PolarHBondContact N-OG1 3Å; G605-T608 PolarHBondContact N-OG1 3.17Å; G605-T608 PolarHBondContact O-N 3.15Å; G605-T608 PolarHBondContact O-OG1 2.59Å
609	N	92.8	Very high	92.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-72.9	130.6	179.9	-66.7	-48.8	0	0	0	110.6	E582 F583 E584 D585 M601	E582-N609 CarbonylContact C-O 3.59Å; E582-N609 VanDerWaalsContact CA-O 3.25Å; E582-N609 WeakPolarHBondContact CA-O 2.89Å; F583-N609 HydrophobicContact CD1-CB 3.68Å; F583-N609 WeakPolarHBondContact CD1-O 3.46Å; F583-N609 HydrophobicContact CD2-CB 4.02Å; F583-N609 HydrophobicContact CE1-CB 3.39Å; F583-N609 WeakPolarHBondContact CE1-O 3.48Å; F583-N609 HydrophobicContact CE2-CB 3.74Å; F583-N609 HydrophobicContact CG-CB 4Å; F583-N609 HydrophobicContact CZ-CB 3.42Å; F583-N609 VanDerWaalsContact CZ-CB 3.42Å; F583-N609 PolarHBondContact N-O 2.87Å; F583-N609 WeakPolarHBondContact O-CB 3.39Å; F583-N609 PolarHBondContact O-N 2.98Å; F583-N609 VanDerWaalsContact O-N 3.09Å; E584-N609 PolarHBondContact O-ND2 2.79Å; D585-N609 WeakPolarHBondContact CA-ND2 3.46Å; D585-N609 PolarHBondContact OD1-ND2 2.84Å; D585-N609 PolarHBondContact OD1-OD1 3.46Å; M601-N609 VanDerWaalsContact CB-OD1 3.26Å; M601-N609 WeakPolarHBondContact CB-OD1 3.41Å; M601-N609 HydrophobicContact CE-CB 4.1Å
610	G	92.6	Very high	92.7	Very high	8 Å²	8	23.6 Å²	23.6	8%	0.082	18%	0.177	C	C	.	.			trans	-118.7	-122.1	177.6	0	0	0	0	0	112.2	N539 F583 M601	N539-G610 PolarHBondContact ND2-O 3.46Å; F583-G610 WeakPolarHBondContact CE1-O 3.33Å; M601-G610 VanDerWaalsContact CE-O 3.28Å; M601-G610 WeakPolarHBondContact CE-O 3.12Å
611	S	94.2	Very high	92.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-103	-15	173.2	59.4	0	0	0	0	113.9	Y549 G566 G575 E576	Y549-S611 VanDerWaalsContact CE1-O 3.3Å; Y549-S611 WeakPolarHBondContact CE1-O 3.44Å; Y549-S611 PolarHBondContact OH-O 3.39Å; G566-S611 CarbonylContact O-C 3.56Å; G566-S611 WeakPolarHBondContact O-CB 3.47Å; G566-S611 PolarHBondContact O-OG 3.4Å; G575-S611 WeakPolarHBondContact CA-OG 3.34Å; E576-S611 WeakPolarHBondContact O-CB 3.39Å
612	Q	95.4	Very high	92.4	Very high	22 Å²	22	34.1 Å²	34.1	10%	0.103	23%	0.226	C	C	.	.			trans	-76.3	141.8	-173.2	-61.9	-172.4	45.5	0	0	112.4	T565 D567 G572 G574 M601 A602	T565-Q612 WeakPolarHBondContact O-CA 3.48Å; D567-Q612 HydrophobicContact CB-CG 3.98Å; G572-Q612 PolarHBondContact O-NE2 2.9Å; G574-Q612 PolarHBondContact O-NE2 2.91Å; M601-Q612 WeakPolarHBondContact CE-O 3.19Å; A602-Q612 HydrophobicContact CB-CB 3.78Å; A602-Q612 PolarHBondContact N-O 2.73Å
613	F	96.5	Very high	92.4	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.5	176.9	65.6	-94	0	0	0	111.2	I517 F540 Y549 T565 L599 S600 M601 F630 I661	I517-F613 HydrophobicContact CD1-CE2 3.97Å; I517-F613 HydrophobicContact CD1-CZ 3.92Å; F540-F613 HydrophobicContact CD2-CD1 4.3Å; F540-F613 HydrophobicContact CD2-CE1 4.22Å; F540-F613 HydrophobicContact CE2-CD1 4.21Å; F540-F613 AromaticContact CE2-CE1 3.75Å; F540-F613 HydrophobicContact CE2-CE1 3.75Å; F540-F613 AromaticContact CE2-CZ 3.94Å; F540-F613 HydrophobicContact CE2-CZ 3.94Å; Y549-F613 HydrophobicContact CD1-CE1 4.14Å; Y549-F613 HydrophobicContact CE1-CD1 4.17Å; Y549-F613 AromaticContact CE1-CE1 3.76Å; Y549-F613 HydrophobicContact CE1-CE1 3.76Å; Y549-F613 HydrophobicContact CE2-CE1 4.4Å; Y549-F613 AromaticContact CZ-CE1 3.89Å; T565-F613 HydrophobicContact CG2-CD1 4.49Å; T565-F613 HydrophobicContact CG2-CD2 4.09Å; T565-F613 HydrophobicContact CG2-CE1 3.95Å; T565-F613 HydrophobicContact CG2-CE2 3.5Å; T565-F613 HydrophobicContact CG2-CZ 3.42Å; T565-F613 VanDerWaalsContact CG2-CZ 3.42Å; T565-F613 PolarHBondContact N-O 3.1Å; T565-F613 PolarHBondContact O-N 3.16Å; L599-F613 HydrophobicContact CD1-CD2 3.38Å; L599-F613 HydrophobicContact CD1-CE2 3.85Å; L599-F613 HydrophobicContact CD1-CG 4.2Å; S600-F613 CarbonylContact O-C 3.54Å; S600-F613 WeakPolarHBondContact O-CA 3.45Å; S600-F613 WeakPolarHBondContact O-CB 3.11Å; M601-F613 HydrophobicContact SD-CB 4.42Å; F613-F630 HydrophobicContact CB-CE1 4.11Å; F613-F630 HydrophobicContact CB-CZ 4.03Å; F613-F630 HydrophobicContact CG-CZ 4.4Å; F613-I661 HydrophobicContact CZ-CD1 4.31Å
614	F	96.7	Very high	92.3	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.035	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.5	175.9	65.8	-92.6	0	0	0	112.3	M562 I563 Q564 S600 M601 A602 T616 L623 H627	M562-F614 HydrophobicContact CB-CB 4.43Å; M562-F614 HydrophobicContact CB-CD2 3.96Å; M562-F614 HydrophobicContact CG-CB 4.43Å; M562-F614 HydrophobicContact CG-CD2 4.19Å; M562-F614 HydrophobicContact CG-CG 4.48Å; M562-F614 HydrophobicContact SD-CB 3.94Å; M562-F614 HydrophobicContact SD-CG 4.46Å; I563-F614 CarbonylContact O-C 3.3Å; I563-F614 WeakPolarHBondContact O-CA 3.5Å; I563-F614 WeakPolarHBondContact O-CB 3.43Å; Q564-F614 HydrophobicContact CB-CB 3.99Å; Q564-F614 HydrophobicContact CG-CB 4.39Å; S600-F614 PolarHBondContact N-O 3.07Å; S600-F614 PolarHBondContact O-N 3.2Å; M601-F614 VanDerWaalsContact O-CE1 3.3Å; M601-F614 WeakPolarHBondContact O-CE1 3.46Å; A602-F614 HydrophobicContact CB-CD1 4.11Å; F614-T616 HydrophobicContact CD2-CG2 3.97Å; F614-T616 HydrophobicContact CE2-CG2 3.7Å; F614-L623 HydrophobicContact CE2-CD1 3.84Å; F614-L623 HydrophobicContact CZ-CD1 3.81Å; F614-H627 HydrophobicContact CE1-CB 4.11Å; F614-H627 AromaticContact CE1-CG 3.85Å; F614-H627 AromaticContact CE1-ND1 3.91Å; F614-H627 HydrophobicContact CZ-CB 3.99Å; F614-H627 AromaticContact CZ-CG 3.93Å
615	I	96.9	Very high	92.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.5	173.1	-57.2	171.7	0	0	0	108	I524 M562 I563 T598 L599 V640	I524-I615 HydrophobicContact CD1-CD1 4.48Å; I524-I615 HydrophobicContact CG2-CD1 4.38Å; M562-I615 CarbonylContact C-O 3.57Å; M562-I615 VanDerWaalsContact CA-O 3.27Å; M562-I615 WeakPolarHBondContact CA-O 3.32Å; M562-I615 WeakPolarHBondContact CB-O 3.12Å; I563-I615 HydrophobicContact CD1-CB 4.41Å; I563-I615 HydrophobicContact CG1-CB 3.91Å; I563-I615 PolarHBondContact N-O 3.05Å; I563-I615 PolarHBondContact O-N 2.99Å; T598-I615 WeakPolarHBondContact O-CA 3.34Å; L599-I615 HydrophobicContact CD1-CD1 4.26Å; L599-I615 HydrophobicContact CD1-CG1 3.6Å; I615-V640 HydrophobicContact CB-CG1 4.37Å; I615-V640 HydrophobicContact CG2-CG1 3.74Å; I615-V640 HydrophobicContact CG2-CG2 4.33Å
616	T	96.6	Very high	92.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	150.9	177.8	65	0	0	0	0	111.5	Y597 T598 F614 V618 T620	Y597-T616 WeakPolarHBondContact CA-O 3.31Å; Y597-T616 PolarHBondContact N-O 2.87Å; Y597-T616 PolarHBondContact N-OG1 2.95Å; T598-T616 PolarHBondContact N-OG1 2.68Å; T598-T616 VanDerWaalsContact N-OG1 3.14Å; T598-T616 PolarHBondContact O-N 2.83Å; F614-T616 HydrophobicContact CD2-CG2 3.97Å; F614-T616 HydrophobicContact CE2-CG2 3.7Å; T616-V618 WeakPolarHBondContact CB-O 3.35Å; T616-T620 HydrophobicContact CG2-CG2 4.31Å
617	V	95.1	Very high	93	Very high	15 Å²	15	35.4 Å²	35.4	9%	0.091	19%	0.189	C	C	.	.	S	Bend	trans	-109.5	-10.8	171.3	-70.4	0	0	0	0	113.3	F561 P596 V640	F561-V617 VanDerWaalsContact N-CG2 3.3Å; F561-V617 WeakPolarHBondContact O-CG2 3.48Å; F561-V617 PolarHBondContact O-N 2.78Å; P596-V617 VanDerWaalsContact CB-O 3.25Å; P596-V617 WeakPolarHBondContact CB-O 3.39Å; V617-V640 HydrophobicContact CG1-CG1 3.76Å
618	V	93.9	Very high	93.5	Very high	47 Å²	47	34.1 Å²	34.1	29%	0.285	18%	0.176	S	C	.	.	S	Bend	trans	-133.3	162.1	175.4	-63.3	0	0	0	0	109.4	S560 T616 T620	S560-V618 WeakPolarHBondContact O-CG2 3.3Å; T616-V618 WeakPolarHBondContact CB-O 3.35Å; V618-T620 HydrophobicContact CG2-CG2 3.96Å; V618-T620 PolarHBondContact O-N 3.33Å
619	P	93.9	Very high	93.8	Very high	65 Å²	65	33.1 Å²	33.1	42%	0.422	17%	0.17	S	C	.	.			trans	-59.7	131.8	166.8	-23.6	35	0	0	0	111.3
620	T	93.3	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.			trans	-133.9	62.4	-176.2	59	0	0	0	0	111.7	F561 H593 T616 V618 W622 L623	F561-T620 HydrophobicContact CD2-CG2 3.79Å; F561-T620 HydrophobicContact CE2-CG2 3.7Å; H593-T620 VanDerWaalsContact CB-O 3.29Å; H593-T620 WeakPolarHBondContact CB-O 3.24Å; H593-T620 WeakPolarHBondContact CB-OG1 3.43Å; H593-T620 PolarHBondContact O-N 2.69Å; T616-T620 HydrophobicContact CG2-CG2 4.31Å; V618-T620 HydrophobicContact CG2-CG2 3.96Å; V618-T620 PolarHBondContact O-N 3.33Å; T620-W622 HydrophobicContact CG2-CH2 3.78Å; T620-W622 HydrophobicContact CG2-CZ2 3.58Å; T620-W622 PolarHBondContact O-N 3.21Å; T620-L623 WeakPolarHBondContact O-CB 3.48Å; T620-L623 PolarHBondContact O-N 3.04Å; T620-L623 WeakPolarHBondContact OG1-CD1 3.46Å
621	P	92.4	Very high	94.1	Very high	74 Å²	74	32.7 Å²	32.7	48%	0.481	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-62.1	-18.8	-172.5	22.5	-32.5	0	0	0	114.3	L623 D624	P621-L623 PolarHBondContact O-N 3.39Å; P621-D624 VanDerWaalsContact O-CB 3.29Å; P621-D624 WeakPolarHBondContact O-CB 3.29Å; P621-D624 PolarHBondContact O-N 2.88Å; P621-D624 VanDerWaalsContact O-N 3.13Å
622	W	92.3	Very high	94.1	Very high	147 Å²	147	35 Å²	35	56%	0.557	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-69.9	-8.6	174.6	60.9	86.5	0	0	0	114.3	F561 T620 K626	F561-W622 HydrophobicContact CD2-CZ2 4.05Å; F561-W622 AromaticContact CE2-CZ2 3.71Å; F561-W622 HydrophobicContact CE2-CZ2 3.71Å; F561-W622 AromaticContact CE2-NE1 3.97Å; T620-W622 HydrophobicContact CG2-CH2 3.78Å; T620-W622 HydrophobicContact CG2-CZ2 3.58Å; T620-W622 PolarHBondContact O-N 3.21Å; W622-K626 PolarHBondContact O-NZ 2.99Å
623	L	92.3	Very high	94.1	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.089	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-91.8	-7.8	173.2	-59	-174.2	0	0	0	112.7	F561 F614 T620 P621 K626 H627	F561-L623 HydrophobicContact CE2-CD1 4.22Å; F561-L623 HydrophobicContact CZ-CD1 4.25Å; F614-L623 HydrophobicContact CE2-CD1 3.84Å; F614-L623 HydrophobicContact CZ-CD1 3.81Å; T620-L623 WeakPolarHBondContact O-CB 3.48Å; T620-L623 PolarHBondContact O-N 3.04Å; T620-L623 WeakPolarHBondContact OG1-CD1 3.46Å; P621-L623 PolarHBondContact O-N 3.39Å; L623-K626 PolarHBondContact O-N 3.44Å; L623-K626 VanDerWaalsContact O-N 3.14Å; L623-H627 PolarHBondContact O-N 2.83Å
624	D	89.6	Confident	94	Very high	34 Å²	34	38.4 Å²	38.4	18%	0.182	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	137.1	178.8	-68.8	-23.8	0	0	0	111.3	R592 H593 P621 K626	R592-D624 WeakPolarHBondContact CA-OD1 3.33Å; R592-D624 VanDerWaalsContact CD-CG 3.48Å; R592-D624 VanDerWaalsContact CD-OD2 3.32Å; R592-D624 WeakPolarHBondContact CD-OD2 3.48Å; H593-D624 WeakPolarHBondContact CB-OD1 3.28Å; H593-D624 IonicContact CE1-OD1 2.65Å; H593-D624 IonicContact CG-OD1 3.64Å; H593-D624 PolarHBondContact N-OD1 3.24Å; H593-D624 IonicContact ND1-OD1 3.74Å; H593-D624 PolarHBondContact ND1-OD1 2.82Å; P621-D624 VanDerWaalsContact O-CB 3.29Å; P621-D624 WeakPolarHBondContact O-CB 3.29Å; P621-D624 PolarHBondContact O-N 2.88Å; P621-D624 VanDerWaalsContact O-N 3.13Å; D624-K626 PolarHBondContact O-N 2.93Å; D624-K626 VanDerWaalsContact O-N 3.16Å
625	N	88.4	Confident	93.8	Very high	89 Å²	89	44.7 Å²	44.7	48%	0.476	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	19.5	-174	-46.1	-54.5	0	0	0	114.6	F587	F587-N625 VanDerWaalsContact CE1-C 3.46Å; F587-N625 WeakPolarHBondContact CE2-O 3.49Å; F587-N625 HydrophobicContact CG-CB 4.5Å; F587-N625 VanDerWaalsContact CZ-C 3.41Å; F587-N625 VanDerWaalsContact CZ-O 3.24Å; F587-N625 WeakPolarHBondContact CZ-O 3.36Å
626	K	90.8	Very high	93.5	Very high	125 Å²	125	45.8 Å²	45.8	54%	0.543	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-36.2	169.7	-64.4	-178.2	-178.8	170.1	0	112.3	N603 W622 L623 D624	N603-K626 PolarHBondContact ND2-O 3.5Å; W622-K626 PolarHBondContact O-NZ 2.99Å; L623-K626 PolarHBondContact O-N 3.44Å; L623-K626 VanDerWaalsContact O-N 3.14Å; D624-K626 PolarHBondContact O-N 2.93Å; D624-K626 VanDerWaalsContact O-N 3.16Å
627	H	93.8	Very high	93.4	Very high	34 Å²	34	49.2 Å²	49.2	16%	0.157	25%	0.248	C	C	.	.	S	Bend	trans	-122	132.5	177.5	-61.5	-75.8	0	0	0	110.2	M601 N603 F614 L623 V629	M601-H627 PolarHBondContact O-ND1 2.77Å; M601-H627 VanDerWaalsContact O-ND1 3.13Å; N603-H627 PolarHBondContact OD1-CE1 2.86Å; N603-H627 PolarHBondContact OD1-ND1 3.22Å; F614-H627 HydrophobicContact CE1-CB 4.11Å; F614-H627 AromaticContact CE1-CG 3.85Å; F614-H627 AromaticContact CE1-ND1 3.91Å; F614-H627 HydrophobicContact CZ-CB 3.99Å; F614-H627 AromaticContact CZ-CG 3.93Å; L623-H627 PolarHBondContact O-N 2.83Å; H627-V629 PolarHBondContact O-N 3.1Å
628	T	95.1	Very high	93.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.			trans	-67.8	117.8	178.7	-61	0	0	0	0	110.4	C533 T536 D585 E586 S600 M601	C533-T628 HydrophobicContact CB-CG2 4.35Å; T536-T628 HydrophobicContact CG2-CG2 4.09Å; T536-T628 WeakPolarHBondContact OG1-CG2 3.32Å; D585-T628 WeakPolarHBondContact CA-OG1 3.44Å; E586-T628 HydrophobicContact CB-CG2 3.92Å; E586-T628 PolarHBondContact N-OG1 3.44Å; E586-T628 WeakPolarHBondContact O-CG2 3.48Å; S600-T628 CarbonylContact C-O 3.4Å; S600-T628 WeakPolarHBondContact CA-O 3.48Å; S600-T628 WeakPolarHBondContact CB-O 3.45Å; M601-T628 PolarHBondContact N-O 3.42Å
629	V	96.4	Very high	93.4	Very high	8 Å²	8	54 Å²	54	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.1	175	175	0	0	0	0	108.3	C533 L591 H593 T598 S600 H627	C533-V629 PolarHBondContact SG-O 2.79Å; L591-V629 HydrophobicContact CB-CB 4.05Å; L591-V629 HydrophobicContact CB-CG1 4.15Å; L591-V629 WeakPolarHBondContact CD1-O 3.44Å; H593-V629 WeakPolarHBondContact CE1-CG2 3.49Å; T598-V629 HydrophobicContact CG2-CB 4.37Å; T598-V629 HydrophobicContact CG2-CG1 3.45Å; T598-V629 VanDerWaalsContact CG2-CG1 3.45Å; T598-V629 HydrophobicContact CG2-CG2 4.06Å; S600-V629 WeakPolarHBondContact OG-CG2 3.46Å; H627-V629 PolarHBondContact O-N 3.1Å
630	F	96.1	Very high	93.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	0.3	-174.5	70.1	-86.9	0	0	0	114.1	L528 F529 C533 T536 V537 F540 L599 M601 F613	L528-F630 WeakPolarHBondContact CA-O 3.4Å; L528-F630 HydrophobicContact CD2-CD2 4.13Å; L528-F630 HydrophobicContact CD2-CE2 4.28Å; F529-F630 PolarHBondContact N-O 3.34Å; C533-F630 HydrophobicContact CB-CB 4.22Å; T536-F630 HydrophobicContact CG2-CB 3.57Å; T536-F630 HydrophobicContact CG2-CD1 3.54Å; T536-F630 HydrophobicContact CG2-CD2 4.16Å; T536-F630 HydrophobicContact CG2-CE1 4.21Å; T536-F630 HydrophobicContact CG2-CG 3.5Å; V537-F630 HydrophobicContact CG2-CB 4.09Å; V537-F630 HydrophobicContact CG2-CD2 4.38Å; F540-F630 HydrophobicContact CB-CE2 3.92Å; F540-F630 HydrophobicContact CD1-CE2 4.25Å; F540-F630 AromaticContact CD2-CE2 3.88Å; F540-F630 HydrophobicContact CD2-CE2 3.88Å; F540-F630 HydrophobicContact CD2-CZ 4.11Å; F540-F630 HydrophobicContact CE2-CE2 4.49Å; F540-F630 AromaticContact CG-CE2 3.74Å; F540-F630 HydrophobicContact CG-CE2 3.74Å; F540-F630 HydrophobicContact CG-CZ 4.39Å; L599-F630 HydrophobicContact CD1-CE1 4.49Å; L599-F630 HydrophobicContact CD1-CZ 4.02Å; L599-F630 HydrophobicContact CD2-CD2 3.86Å; L599-F630 HydrophobicContact CD2-CE1 4.27Å; L599-F630 HydrophobicContact CD2-CE2 3.28Å; L599-F630 HydrophobicContact CD2-CZ 3.53Å; L599-F630 HydrophobicContact CG-CD1 4.42Å; L599-F630 HydrophobicContact CG-CD2 4.39Å; L599-F630 HydrophobicContact CG-CE1 3.84Å; L599-F630 HydrophobicContact CG-CE2 3.8Å; L599-F630 HydrophobicContact CG-CZ 3.5Å; L599-F630 VanDerWaalsContact CG-CZ 3.5Å; L599-F630 PolarHBondContact O-N 3.34Å; M601-F630 HydrophobicContact CG-CD1 3.92Å; M601-F630 HydrophobicContact CG-CE1 3.86Å; M601-F630 HydrophobicContact SD-CD1 4.15Å; M601-F630 HydrophobicContact SD-CE1 3.58Å; M601-F630 VanDerWaalsContact SD-CE1 3.58Å; M601-F630 HydrophobicContact SD-CZ 4.1Å; F613-F630 HydrophobicContact CB-CE1 4.11Å; F613-F630 HydrophobicContact CB-CZ 4.03Å; F613-F630 HydrophobicContact CG-CZ 4.4Å
631	G	95.6	Very high	93.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	179.1	172.9	0	0	0	0	0	114.6	K527 L599	K527-G631 CarbonylContact O-C 3.57Å; K527-G631 WeakPolarHBondContact O-CA 3.44Å; L599-G631 WeakPolarHBondContact CB-O 3.21Å; L599-G631 PolarHBondContact N-O 3.24Å; L599-G631 PolarHBondContact O-N 2.88Å
632	R	95.2	Very high	93.6	Very high	47 Å²	47	58.2 Å²	58.2	18%	0.177	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.7	176	-68.8	-175.9	174.7	176.7	-9.5	111.5	L526 K527 F529 R592 D594	L526-R632 WeakPolarHBondContact CA-O 3.46Å; K527-R632 PolarHBondContact N-O 2.78Å; K527-R632 PolarHBondContact O-N 3.05Å; F529-R632 HydrophobicContact CE2-CG 3.95Å; F529-R632 HydrophobicContact CZ-CB 4.37Å; F529-R632 HydrophobicContact CZ-CG 3.95Å; R592-R632 PolarHBondContact O-NH2 2.97Å; D594-R632 IonicContact OD1-CZ 2.71Å; D594-R632 IonicContact OD1-NH1 3.09Å; D594-R632 IonicContact OD1-NH2 3.06Å; D594-R632 PolarHBondContact OD1-NH2 2.55Å
633	C	95.3	Very high	93.6	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.054	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.5	172.7	-171	0	0	0	0	110.9	H525 L526 Y597 K635 M637	H525-C633 CarbonylContact O-C 3.58Å; H525-C633 WeakPolarHBondContact O-CA 3.23Å; L526-C633 HydrophobicContact CD2-CB 4.24Å; Y597-C633 HydrophobicContact CG-CB 4.48Å; Y597-C633 PolarHBondContact O-N 2.76Å; C633-K635 PolarHBondContact SG-O 2.83Å; C633-M637 VanDerWaalsContact O-CE 3.25Å; C633-M637 WeakPolarHBondContact O-CE 3.38Å
634	I	93.8	Very high	93.7	Very high	88 Å²	88	50.7 Å²	50.7	45%	0.451	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-31.3	178	52.5	164.5	0	0	0	112.6	H525 K527	H525-I634 HydrophobicContact CB-CD1 4.16Å; H525-I634 HydrophobicContact CB-CG1 3.74Å; H525-I634 VanDerWaalsContact O-CG1 3.28Å; H525-I634 WeakPolarHBondContact O-CG1 3.45Å; H525-I634 PolarHBondContact O-N 3.34Å; K527-I634 HydrophobicContact CB-CG2 3.79Å
635	K	92.1	Very high	93.9	Very high	140 Å²	140	53.6 Å²	53.6	61%	0.609	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.9	177.1	-60	-176.6	176.6	-176.4	0	109	H525 C633	H525-K635 HydrophobicContact CB-CB 3.88Å; H525-K635 PolarHBondContact N-O 2.83Å; C633-K635 PolarHBondContact SG-O 2.83Å
636	G	92.5	Very high	94.1	Very high	23 Å²	23	50.6 Å²	50.6	24%	0.237	24%	0.244	C	C	.	.			trans	88.9	19.8	-175.3	0	0	0	0	0	114.2	D523 E638 V639 V640	D523-G636 WeakPolarHBondContact O-CA 3.12Å; G636-E638 PolarHBondContact O-N 3.36Å; G636-V639 WeakPolarHBondContact O-CB 3.32Å; G636-V639 PolarHBondContact O-N 3.34Å; G636-V640 PolarHBondContact O-N 2.82Å
637	M	93.4	Very high	94.2	Very high	72 Å²	72	53.1 Å²	53.1	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-57	-34.2	174.7	-67.6	176.8	-177.2	0	0	112.6	Y597 C633 V639 V640 Q641	Y597-M637 HydrophobicContact CD1-CB 4.22Å; Y597-M637 HydrophobicContact CD1-CG 4.19Å; Y597-M637 HydrophobicContact CD2-CB 4.24Å; Y597-M637 HydrophobicContact CD2-CE 4.03Å; Y597-M637 HydrophobicContact CD2-CG 3.67Å; Y597-M637 HydrophobicContact CD2-SD 3.61Å; Y597-M637 HydrophobicContact CE1-CB 3.86Å; Y597-M637 HydrophobicContact CE1-CG 4.27Å; Y597-M637 HydrophobicContact CE2-CB 3.9Å; Y597-M637 HydrophobicContact CE2-CG 3.78Å; Y597-M637 HydrophobicContact CE2-SD 3.58Å; Y597-M637 VanDerWaalsContact CE2-SD 3.58Å; Y597-M637 HydrophobicContact CG-CB 4.37Å; Y597-M637 HydrophobicContact CG-CG 3.87Å; Y597-M637 HydrophobicContact CG-SD 4.39Å; C633-M637 VanDerWaalsContact O-CE 3.25Å; C633-M637 WeakPolarHBondContact O-CE 3.38Å; M637-V639 VanDerWaalsContact C-N 3.3Å; M637-V639 PolarHBondContact O-N 3.08Å; M637-V640 PolarHBondContact O-N 2.77Å; M637-Q641 PolarHBondContact O-N 3.02Å
638	E	94.3	Very high	94.2	Very high	147 Å²	147	53.2 Å²	53.2	69%	0.687	26%	0.258	S	S	*	.	H	α-helix	trans	-63.1	-35.3	174.7	-63	174.4	-164.9	0	0	112.3	G636 Q641 R642	G636-E638 PolarHBondContact O-N 3.36Å; E638-Q641 PolarHBondContact O-N 3.11Å; E638-R642 WeakPolarHBondContact O-CB 3.48Å; E638-R642 PolarHBondContact O-N 3.09Å
639	V	95.1	Very high	94	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.097	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-46.8	176.4	-179	0	0	0	0	109.5	M521 I524 G636 M637 Q641 R642 I643	M521-V639 HydrophobicContact CB-CG1 4.14Å; I524-V639 HydrophobicContact CD1-CG1 4.34Å; I524-V639 HydrophobicContact CG1-CB 4.16Å; I524-V639 HydrophobicContact CG1-CG1 4.02Å; G636-V639 WeakPolarHBondContact O-CB 3.32Å; G636-V639 PolarHBondContact O-N 3.34Å; M637-V639 VanDerWaalsContact C-N 3.3Å; M637-V639 PolarHBondContact O-N 3.08Å; V639-Q641 VanDerWaalsContact C-N 3.3Å; V639-Q641 PolarHBondContact O-N 2.57Å; V639-R642 WeakPolarHBondContact O-CB 3.35Å; V639-R642 PolarHBondContact O-N 3.17Å; V639-R642 VanDerWaalsContact O-N 3.1Å; V639-I643 HydrophobicContact CG1-CD1 4.03Å; V639-I643 HydrophobicContact CG1-CG1 4.47Å; V639-I643 VanDerWaalsContact O-CG1 3.3Å; V639-I643 WeakPolarHBondContact O-CG1 3.48Å; V639-I643 PolarHBondContact O-N 2.82Å
640	V	94.7	Very high	93.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-44.2	175.8	-175.5	0	0	0	0	110.9	I524 I563 Y597 I615 V617 G636 M637 I643 S644	I524-V640 HydrophobicContact CD1-CG2 3.84Å; I524-V640 HydrophobicContact CG1-CG2 4Å; I524-V640 HydrophobicContact CG2-CG2 3.96Å; I563-V640 HydrophobicContact CD1-CB 4.39Å; I563-V640 HydrophobicContact CD1-CG1 3.67Å; I563-V640 HydrophobicContact CG1-CG1 4.21Å; Y597-V640 HydrophobicContact CD1-CB 4.09Å; Y597-V640 HydrophobicContact CD1-CG1 4.03Å; Y597-V640 HydrophobicContact CE1-CB 4.27Å; Y597-V640 HydrophobicContact CE1-CG1 4.41Å; I615-V640 HydrophobicContact CB-CG1 4.37Å; I615-V640 HydrophobicContact CG2-CG1 3.74Å; I615-V640 HydrophobicContact CG2-CG2 4.33Å; V617-V640 HydrophobicContact CG1-CG1 3.76Å; G636-V640 PolarHBondContact O-N 2.82Å; M637-V640 PolarHBondContact O-N 2.77Å; V640-I643 PolarHBondContact O-N 2.89Å; V640-S644 WeakPolarHBondContact O-CB 3.44Å; V640-S644 PolarHBondContact O-N 3.18Å
641	Q	93.9	Very high	93.3	Very high	90 Å²	90	69.9 Å²	69.9	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-38.9	175.4	-88.7	177.2	-22.2	0	0	113.1	Y597 M637 E638 V639 S644 N645	Y597-Q641 HydrophobicContact CE1-CG 4.14Å; Y597-Q641 PolarHBondContact OH-NE2 3.32Å; M637-Q641 PolarHBondContact O-N 3.02Å; E638-Q641 PolarHBondContact O-N 3.11Å; V639-Q641 VanDerWaalsContact C-N 3.3Å; V639-Q641 PolarHBondContact O-N 2.57Å; Q641-S644 PolarHBondContact O-N 3Å; Q641-N645 PolarHBondContact O-N 2.85Å; Q641-N645 VanDerWaalsContact O-N 3.07Å; Q641-N645 PolarHBondContact O-ND2 2.81Å
642	R	94.1	Very high	92.8	Very high	138 Å²	138	73.7 Å²	73.7	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-44.6	177.1	-170	-177.7	-59.6	165.2	2.2	111	M521 E638 V639 S644 N645 A646	M521-R642 HydrophobicContact SD-CG 4.44Å; E638-R642 WeakPolarHBondContact O-CB 3.48Å; E638-R642 PolarHBondContact O-N 3.09Å; V639-R642 WeakPolarHBondContact O-CB 3.35Å; V639-R642 PolarHBondContact O-N 3.17Å; V639-R642 VanDerWaalsContact O-N 3.1Å; R642-S644 VanDerWaalsContact C-N 3.34Å; R642-S644 PolarHBondContact O-N 3.25Å; R642-N645 PolarHBondContact O-N 3.26Å; R642-A646 PolarHBondContact O-N 2.8Å
643	I	94	Very high	92.6	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-45.5	174.9	-62.8	171.2	0	0	0	109.9	T519 M521 I524 F554 V557 I563 V639 V640 N645 A646 I659	T519-I643 HydrophobicContact CG2-CD1 4.49Å; M521-I643 HydrophobicContact CB-CD1 4.4Å; M521-I643 HydrophobicContact CB-CG1 4.02Å; M521-I643 HydrophobicContact CG-CG1 4.19Å; I524-I643 HydrophobicContact CD1-CD1 4.27Å; F554-I643 HydrophobicContact CD1-CG2 4.44Å; F554-I643 HydrophobicContact CE2-CD1 4.27Å; F554-I643 HydrophobicContact CG-CG2 4.32Å; F554-I643 HydrophobicContact CZ-CD1 4.32Å; V557-I643 WeakPolarHBondContact CG1-O 3.48Å; V557-I643 HydrophobicContact CG2-CG2 4.32Å; I563-I643 HydrophobicContact CB-CG2 4.3Å; I563-I643 HydrophobicContact CD1-CB 4.18Å; I563-I643 HydrophobicContact CD1-CD1 4.24Å; I563-I643 HydrophobicContact CD1-CG2 3.97Å; I563-I643 HydrophobicContact CG2-CB 4.47Å; I563-I643 HydrophobicContact CG2-CG2 3.93Å; V639-I643 HydrophobicContact CG1-CD1 4.03Å; V639-I643 HydrophobicContact CG1-CG1 4.47Å; V639-I643 VanDerWaalsContact O-CG1 3.3Å; V639-I643 WeakPolarHBondContact O-CG1 3.48Å; V639-I643 PolarHBondContact O-N 2.82Å; V640-I643 PolarHBondContact O-N 2.89Å; I643-N645 PolarHBondContact O-N 2.87Å; I643-A646 VanDerWaalsContact O-CB 3.25Å; I643-A646 WeakPolarHBondContact O-CB 3.27Å; I643-A646 PolarHBondContact O-N 2.86Å; I643-A646 VanDerWaalsContact O-N 3.1Å; I643-I659 HydrophobicContact CB-CD1 4.35Å; I643-I659 HydrophobicContact CD1-CG2 4.15Å; I643-I659 HydrophobicContact CG1-CD1 4.33Å; I643-I659 HydrophobicContact CG1-CG2 4.08Å; I643-I659 HydrophobicContact CG2-CD1 3.88Å; I643-I659 HydrophobicContact CG2-CG2 4.37Å
644	S	94.3	Very high	92.4	Very high	5 Å²	5	76.8 Å²	76.8	4%	0.035	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-25	178	-175.1	0	0	0	0	114.2	V640 Q641 R642	V640-S644 WeakPolarHBondContact O-CB 3.44Å; V640-S644 PolarHBondContact O-N 3.18Å; Q641-S644 PolarHBondContact O-N 3Å; R642-S644 VanDerWaalsContact C-N 3.34Å; R642-S644 PolarHBondContact O-N 3.25Å
645	N	93.7	Very high	92.3	Very high	95 Å²	95	73 Å²	73	51%	0.508	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.7	177.8	-75.7	-53.8	0	0	0	114	K559 Q641 R642 I643	K559-N645 VanDerWaalsContact CE-OD1 3.23Å; K559-N645 WeakPolarHBondContact CE-OD1 3.42Å; Q641-N645 PolarHBondContact O-N 2.85Å; Q641-N645 VanDerWaalsContact O-N 3.07Å; Q641-N645 PolarHBondContact O-ND2 2.81Å; R642-N645 PolarHBondContact O-N 3.26Å; I643-N645 PolarHBondContact O-N 2.87Å
646	A	92	Very high	92.3	Very high	27 Å²	27	73.8 Å²	73.8	22%	0.223	36%	0.364	C	S	.	.	S	Bend	trans	-60.4	151.2	176.1	0	0	0	0	0	111.3	R642 I643 V648 I659	R642-A646 PolarHBondContact O-N 2.8Å; I643-A646 VanDerWaalsContact O-CB 3.25Å; I643-A646 WeakPolarHBondContact O-CB 3.27Å; I643-A646 PolarHBondContact O-N 2.86Å; I643-A646 VanDerWaalsContact O-N 3.1Å; A646-V648 PolarHBondContact O-N 3.49Å; A646-I659 HydrophobicContact CB-CD1 3.78Å
647	K	93.1	Very high	92.2	Very high	178 Å²	178	80 Å²	80	77%	0.774	39%	0.387	S	S	*	.			trans	-70.4	120.6	175.5	-68.6	-178.6	-179.8	174.7	0	108.8	P655 Y656	K647-P655 WeakPolarHBondContact O-CA 3.48Å; K647-Y656 HydrophobicContact CB-CD2 3.96Å; K647-Y656 WeakPolarHBondContact O-CD2 3.05Å; K647-Y656 PolarHBondContact O-N 3.48Å
648	V	93.6	Very high	92.1	Very high	36 Å²	36	81.5 Å²	81.5	22%	0.218	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-115.4	154.7	179.8	-60.4	0	0	0	0	111.3	V557 A646 P650 K654 P655 Y656	V557-V648 HydrophobicContact CB-CG1 3.9Å; V557-V648 HydrophobicContact CG1-CG1 4.03Å; A646-V648 PolarHBondContact O-N 3.49Å; V648-P650 WeakPolarHBondContact O-CD 3.17Å; V648-K654 CarbonylContact C-O 3.57Å; V648-K654 WeakPolarHBondContact CA-O 3.35Å; V648-P655 HydrophobicContact CG1-CG 4.2Å; V648-Y656 WeakPolarHBondContact O-CE2 3.39Å
649	N	91.1	Very high	92.1	Very high	53 Å²	53	74.7 Å²	74.7	28%	0.283	36%	0.364	S	S	.	.			trans	-70.6	119.6	170.2	-178.1	-19.4	0	0	0	109.6	K651 T652 D653 K654	N649-K651 PolarHBondContact O-N 3.25Å; N649-K651 PolarHBondContact OD1-N 3.39Å; N649-T652 PolarHBondContact O-N 2.61Å; N649-T652 VanDerWaalsContact O-N 3.15Å; N649-D653 WeakPolarHBondContact O-CA 3.06Å; N649-D653 PolarHBondContact O-N 2.97Å; N649-K654 PolarHBondContact N-O 2.85Å
650	P	88.8	Confident	92.1	Very high	108 Å²	108	75.2 Å²	75.2	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-17.2	-177	-24.6	34.4	0	0	0	115.4	V648	V648-P650 WeakPolarHBondContact O-CD 3.17Å
651	K	88.1	Confident	92.1	Very high	196 Å²	196	75.2 Å²	75.2	85%	0.852	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.4	179.2	-68.2	-173.2	178.6	-177.7	0	113.7	N649	N649-K651 PolarHBondContact O-N 3.25Å; N649-K651 PolarHBondContact OD1-N 3.39Å
652	T	85.7	Confident	92.1	Very high	81 Å²	81	75.5 Å²	75.5	50%	0.497	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-3.4	-171	62.5	0	0	0	0	113.4	N649 K654	N649-T652 PolarHBondContact O-N 2.61Å; N649-T652 VanDerWaalsContact O-N 3.15Å; T652-K654 PolarHBondContact O-N 3.16Å
653	D	91.3	Very high	92.1	Very high	47 Å²	47	72 Å²	72	25%	0.251	36%	0.364	S	S	.	.			trans	53.6	18	-174.4	-59.6	-39.5	0	0	0	113.9	R556 V557 I558 N649	R556-D653 HydrophobicContact CG-CB 4Å; R556-D653 IonicContact NE-OD2 3.98Å; V557-D653 PolarHBondContact N-O 2.9Å; I558-D653 HydrophobicContact CG1-CB 4.04Å; N649-D653 WeakPolarHBondContact O-CA 3.06Å; N649-D653 PolarHBondContact O-N 2.97Å
654	K	91.7	Very high	92.2	Very high	73 Å²	73	72.5 Å²	72.5	32%	0.317	37%	0.366	S	S	.	.			trans	-90.5	131.3	-179.2	-172.5	172.7	177.4	172.2	0	109.9	V648 N649 T652	V648-K654 CarbonylContact C-O 3.57Å; V648-K654 WeakPolarHBondContact CA-O 3.35Å; N649-K654 PolarHBondContact N-O 2.85Å; T652-K654 PolarHBondContact O-N 3.16Å
655	P	91.9	Very high	92.1	Very high	7 Å²	7	75 Å²	75	5%	0.045	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-54.5	143.2	173	-27.4	36.5	0	0	0	112.9	F554 V557 K647 V648 E657	F554-P655 VanDerWaalsContact O-CD 3.24Å; F554-P655 WeakPolarHBondContact O-CD 3.47Å; V557-P655 HydrophobicContact CB-CG 4.08Å; V557-P655 HydrophobicContact CG2-CG 3.66Å; K647-P655 WeakPolarHBondContact O-CA 3.48Å; V648-P655 HydrophobicContact CG1-CG 4.2Å; P655-E657 VanDerWaalsContact CB-O 3.24Å; P655-E657 WeakPolarHBondContact CB-O 3.07Å
656	Y	90.9	Very high	92	Very high	157 Å²	157	71.9 Å²	71.9	62%	0.616	37%	0.365	S	S	*	.	S	Bend	trans	-70.5	-36.5	172.8	-77.7	-74.6	0	0	0	112.3	K647 V648	K647-Y656 HydrophobicContact CB-CD2 3.96Å; K647-Y656 WeakPolarHBondContact O-CD2 3.05Å; K647-Y656 PolarHBondContact O-N 3.48Å; V648-Y656 WeakPolarHBondContact O-CE2 3.39Å
657	E	91.1	Very high	91.3	Very high	153 Å²	153	78.7 Å²	78.7	72%	0.715	39%	0.389	S	S	*	.	S	Bend	trans	-102.5	124.7	172.2	-68.4	178.6	-179.2	0	0	107.9	P655 I659	P655-E657 VanDerWaalsContact CB-O 3.24Å; P655-E657 WeakPolarHBondContact CB-O 3.07Å; E657-I659 PolarHBondContact O-N 3.2Å
658	D	91.2	Very high	91.2	Very high	105 Å²	105	73.7 Å²	73.7	56%	0.561	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-65.7	121	-177.7	-74.8	-28.7	0	0	0	110.4	I553	I553-D658 HydrophobicContact CG2-CB 4.24Å
659	I	94.1	Very high	91.1	Very high	3 Å²	3	75.7 Å²	75.7	2%	0.015	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-100	124.1	170.4	-56.3	171.6	0	0	0	106.1	M521 I553 F554 I643 A646 E657	M521-I659 HydrophobicContact CE-CD1 4.17Å; M521-I659 HydrophobicContact CE-CG1 4.15Å; M521-I659 HydrophobicContact CG-CD1 4.41Å; M521-I659 HydrophobicContact CG-CG1 4.4Å; M521-I659 HydrophobicContact CG-CG2 4Å; I553-I659 CarbonylContact C-O 3.6Å; I553-I659 VanDerWaalsContact CA-O 3.3Å; I553-I659 WeakPolarHBondContact CA-O 3.4Å; F554-I659 HydrophobicContact CD2-CB 4.11Å; F554-I659 HydrophobicContact CD2-CG2 3.67Å; F554-I659 WeakPolarHBondContact CD2-O 3.47Å; F554-I659 HydrophobicContact CE2-CG2 4.13Å; F554-I659 PolarHBondContact N-O 3.46Å; I643-I659 HydrophobicContact CB-CD1 4.35Å; I643-I659 HydrophobicContact CD1-CG2 4.15Å; I643-I659 HydrophobicContact CG1-CD1 4.33Å; I643-I659 HydrophobicContact CG1-CG2 4.08Å; I643-I659 HydrophobicContact CG2-CD1 3.88Å; I643-I659 HydrophobicContact CG2-CG2 4.37Å; A646-I659 HydrophobicContact CB-CD1 3.78Å; E657-I659 PolarHBondContact O-N 3.2Å
660	S	94.4	Very high	91.1	Very high	27 Å²	27	76.9 Å²	76.9	19%	0.189	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-127.5	157.5	-175.4	62.1	0	0	0	0	113	T519 T520 H552	T519-S660 CarbonylContact C-O 3.51Å; T519-S660 VanDerWaalsContact CA-O 3.29Å; T519-S660 WeakPolarHBondContact CA-O 3.44Å; T520-S660 VanDerWaalsContact CG2-OG 3.27Å; T520-S660 WeakPolarHBondContact CG2-OG 3.34Å; T520-S660 PolarHBondContact N-O 2.71Å; T520-S660 PolarHBondContact OG1-N 2.94Å; H552-S660 CarbonylContact O-C 3.57Å; H552-S660 WeakPolarHBondContact O-CA 3.41Å; H552-S660 WeakPolarHBondContact O-CB 3.32Å
661	I	96.3	Very high	91.2	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.4	168	-61.3	173.4	0	0	0	107.4	I517 Y549 G551 H552 F554 T565 F613 I664	I517-I661 HydrophobicContact CG2-CD1 4.26Å; I517-I661 HydrophobicContact CG2-CG1 3.98Å; I517-I661 HydrophobicContact CG2-CG2 4.01Å; Y549-I661 WeakPolarHBondContact O-CB 3.43Å; G551-I661 WeakPolarHBondContact CA-O 3.3Å; G551-I661 PolarHBondContact N-O 3.07Å; H552-I661 PolarHBondContact O-N 2.76Å; F554-I661 HydrophobicContact CE2-CG1 4.07Å; F554-I661 HydrophobicContact CZ-CG1 4.33Å; T565-I661 HydrophobicContact CG2-CD1 3.85Å; F613-I661 HydrophobicContact CZ-CD1 4.31Å; I661-I664 HydrophobicContact CG2-CD1 4.35Å; I661-I664 HydrophobicContact CG2-CG1 3.81Å
662	I	93.9	Very high	91.4	Very high	97 Å²	97	67.6 Å²	67.6	50%	0.497	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-56.6	174.6	-60	172.9	0	0	0	108.3	H518 T520	H518-I662 HydrophobicContact CB-CB 4.32Å; H518-I662 PolarHBondContact O-N 3.03Å; T520-I662 HydrophobicContact CG2-CG1 4.47Å
663	N	93.9	Very high	91.8	Very high	63 Å²	63	66.7 Å²	66.7	34%	0.337	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	168	173.5	62.8	-13.8	0	0	0	110.9	H518 N550	H518-N663 WeakPolarHBondContact CB-O 2.97Å; H518-N663 WeakPolarHBondContact CB-OD1 3.49Å; H518-N663 PolarHBondContact CD2-OD1 3.49Å; H518-N663 VanDerWaalsContact CG-OD1 3.28Å; H518-N663 PolarHBondContact N-O 3.17Å; N550-N663 VanDerWaalsContact OD1-CA 3.31Å; N550-N663 WeakPolarHBondContact OD1-CA 3.36Å
664	I	95.4	Very high	91.8	Very high	11 Å²	11	68.1 Å²	68.1	6%	0.056	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.6	173.3	-55.5	-177	0	0	0	109.1	A515 I516 I517 F540 S544 Y549 I661 I666	A515-I664 HydrophobicContact CB-CG2 4.27Å; I516-I664 CarbonylContact O-C 3.54Å; I516-I664 VanDerWaalsContact O-CA 3.31Å; I516-I664 WeakPolarHBondContact O-CA 3.28Å; I517-I664 HydrophobicContact CB-CG1 4.39Å; I517-I664 HydrophobicContact CD1-CD1 4.32Å; I517-I664 HydrophobicContact CG1-CD1 4.01Å; I517-I664 HydrophobicContact CG1-CG1 4.09Å; I517-I664 HydrophobicContact CG1-CG2 4.24Å; I517-I664 HydrophobicContact CG2-CD1 4.45Å; I517-I664 HydrophobicContact CG2-CG1 4.17Å; F540-I664 HydrophobicContact CE1-CG2 4.44Å; F540-I664 HydrophobicContact CE2-CD1 4.14Å; F540-I664 HydrophobicContact CZ-CD1 4.04Å; F540-I664 HydrophobicContact CZ-CG2 4.17Å; S544-I664 WeakPolarHBondContact OG-CG2 3.41Å; Y549-I664 HydrophobicContact CD2-CD1 3.63Å; Y549-I664 HydrophobicContact CE2-CD1 4.46Å; Y549-I664 HydrophobicContact CG-CD1 3.89Å; I661-I664 HydrophobicContact CG2-CD1 4.35Å; I661-I664 HydrophobicContact CG2-CG1 3.81Å; I664-I666 HydrophobicContact CG2-CD1 4.07Å
665	T	92.5	Very high	91.8	Very high	59 Å²	59	67.7 Å²	67.7	36%	0.362	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.3	176.8	-55.5	0	0	0	0	109.5	A515 I516 H518	A515-T665 CarbonylContact C-O 3.56Å; A515-T665 WeakPolarHBondContact CA-O 2.85Å; I516-T665 PolarHBondContact N-O 2.87Å; I516-T665 PolarHBondContact O-N 3.49Å; H518-T665 PolarHBondContact CD2-OG1 3.1Å; H518-T665 PolarHBondContact NE2-OG1 3.47Å
666	I	90.3	Very high	91.8	Very high	28 Å²	28	72.8 Å²	72.8	14%	0.144	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.9	175.2	-59.5	-57.2	0	0	0	109.4	S512 A515 F540 C541 R545 I664	S512-I666 WeakPolarHBondContact OG-CG2 3.3Å; A515-I666 HydrophobicContact CB-CD1 3.62Å; F540-I666 HydrophobicContact CE1-CD1 4.21Å; C541-I666 HydrophobicContact CB-CD1 4.47Å; R545-I666 HydrophobicContact CG-CB 4.45Å; R545-I666 HydrophobicContact CG-CG1 4.15Å; I664-I666 HydrophobicContact CG2-CD1 4.07Å
667	K	77.6	Confident	91.9	Very high	170 Å²	170	65.1 Å²	65.1	74%	0.739	33%	0.329	S	S	*	.			trans	-93.6	0	-179.6	-74.3	-164.8	175.2	-171.4	0	114.3	S512 S514	S512-K667 WeakPolarHBondContact CB-O 3.43Å; S512-K667 PolarHBondContact OG-O 3.17Å; S514-K667 PolarHBondContact O-N 2.74Å

Retrieved 667 of 667 residues in 836.9 ms (Link to these results)

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