A0A087XQ94_POEFO Loading...

Tubulin--tyrosine ligase-like protein 9

AlphaFold DB , UniProt , Accession A0A087XQ94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 438 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	38.2	Very low	30.4	Very low	251 Å²	251	163 Å²	163	100%	1.236	90%	0.901	S	S	*	*				0	104.6	0	-73.2	-176.7	-175	0	0	108.6
2	S	29.5	Very low	30.3	Very low	123 Å²	123	158.7 Å²	158.7	86%	0.86	89%	0.891	S	S	*	*			trans	-148.4	116.6	166.8	-171.6	0	0	0	0	107.4
3	K	31.3	Very low	30.2	Very low	203 Å²	203	157.9 Å²	157.9	88%	0.883	88%	0.884	S	S	*	*			trans	-90	119.9	-175.2	-76.6	-179.1	173.9	177.5	0	108.9
4	H	29	Very low	30.4	Very low	197 Å²	197	156.4 Å²	156.4	91%	0.912	87%	0.873	S	S	*	*			trans	-66.2	127.6	161.6	-83.7	-60.4	0	0	0	109.9
5	K	31.7	Very low	30.4	Very low	202 Å²	202	150.7 Å²	150.7	88%	0.878	85%	0.847	S	S	*	*			trans	-115.6	116.4	164.3	-96.5	-176.4	174.1	-178.8	0	108.3
6	T	29.6	Very low	30.3	Very low	147 Å²	147	144.9 Å²	144.9	90%	0.902	83%	0.832	S	S	*	*			trans	-69.5	125.9	168.1	22.3	0	0	0	0	110.1
7	S	30.5	Very low	30.5	Very low	119 Å²	119	146.3 Å²	146.3	83%	0.832	83%	0.826	S	S	*	*			trans	-93.4	111.4	168.5	46.1	0	0	0	0	109.6
8	G	27.2	Very low	30.5	Very low	75 Å²	75	142.7 Å²	142.7	77%	0.773	81%	0.812	S	S	*	*			trans	-80.7	123.7	171.3	0	0	0	0	0	111	K10	G8-K10 PolarHBondContact O-N 2.95Å
9	N	28.4	Very low	30.5	Very low	168 Å²	168	142.9 Å²	142.9	90%	0.898	81%	0.806	S	S	*	*			trans	-69.7	113	165.8	-89.6	-11	0	0	0	109.4
10	K	29.2	Very low	30.6	Very low	206 Å²	206	145.4 Å²	145.4	90%	0.896	81%	0.81	S	S	*	*			trans	-93.4	101.7	160.5	-92.5	-178.1	173.8	-179.8	0	108	G8 S12	G8-K10 PolarHBondContact O-N 2.95Å; K10-S12 PolarHBondContact O-N 2.92Å
11	A	29.2	Very low	31.1	Very low	102 Å²	102	149.4 Å²	149.4	84%	0.843	81%	0.813	S	S	*	*			trans	-67.7	111	159.1	0	0	0	0	0	107.5
12	S	30.3	Very low	31	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	79%	0.792	S	S	*	*			trans	-85.7	118.8	171.8	50.8	0	0	0	0	109	K10 D14	K10-S12 PolarHBondContact O-N 2.92Å; S12-D14 PolarHBondContact O-N 2.85Å
13	N	28.8	Very low	31.7	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	79%	0.786	S	S	*	*			trans	-43.9	116.1	172.7	-82.6	-14.9	0	0	0	112.6	S15	N13-S15 VanDerWaalsContact C-N 3.3Å
14	D	32.7	Very low	32.9	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	77%	0.769	S	S	*	*			trans	-98.5	39.4	164.9	-164.3	25.1	0	0	0	110.3	S12	S12-D14 PolarHBondContact O-N 2.85Å
15	S	30.8	Very low	34.7	Very low	70 Å²	70	135.9 Å²	135.9	49%	0.49	76%	0.761	S	S	.	*			trans	-94.5	3.7	-179	59.4	0	0	0	0	113.7	N13	N13-S15 VanDerWaalsContact C-N 3.3Å
16	G	28.9	Very low	37.3	Very low	59 Å²	59	127.9 Å²	127.9	61%	0.608	73%	0.731	S	S	*	*	S	Bend	trans	-91.5	-1.3	-176	0	0	0	0	0	115.9
17	K	32.5	Very low	40.1	Very low	168 Å²	168	121.6 Å²	121.6	73%	0.73	69%	0.692	S	S	*	*	S	Bend	trans	-102	-6.5	-177.5	-76.9	-177.8	178.1	171.1	0	115
18	S	31.8	Very low	43.1	Very low	82 Å²	82	119.2 Å²	119.2	57%	0.573	67%	0.665	S	S	*	*	S	Bend	trans	-96.2	-19.2	-180	46.8	0	0	0	0	114.1
19	E	29.1	Very low	46.2	Very low	147 Å²	147	115.8 Å²	115.8	69%	0.687	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-87.3	-20.1	-173.9	-74	-177.8	159.8	0	0	114.5	R21 E22	E19-R21 PolarHBondContact O-N 2.9Å; E19-E22 PolarHBondContact O-N 3.23Å
20	E	34.2	Very low	49.2	Very low	191 Å²	191	110.4 Å²	110.4	89%	0.893	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-73.8	-10.6	175.7	-101.1	-177.4	169	0	0	114.1
21	R	40.4	Very low	52	Low	230 Å²	230	101.3 Å²	101.3	87%	0.868	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-90.3	-10.2	178.1	-72.6	-175.9	175.9	-177.5	-1	113.4	E19	E19-R21 PolarHBondContact O-N 2.9Å
22	E	36.4	Very low	54.2	Low	171 Å²	171	99.3 Å²	99.3	80%	0.799	55%	0.549	S	S	*	.	S	Bend	trans	-95	102.6	175.3	-81.7	-175.5	158.2	0	0	110.6	E19	E19-E22 PolarHBondContact O-N 3.23Å
23	G	43.6	Very low	56.7	Low	71 Å²	71	95.9 Å²	95.9	73%	0.732	52%	0.521	S	S	*	.			trans	110.4	57	146.2	0	0	0	0	0	118.5
24	R	57	Low	59.1	Low	141 Å²	141	96 Å²	96	53%	0.532	52%	0.521	S	S	.	.			trans	-98.1	95.2	139.7	-71.7	-171.4	-174.1	168.3	6.2	107.9	C26 D57 H78	R24-C26 PolarHBondContact O-N 2.89Å; R24-C26 VanDerWaalsContact O-N 3.15Å; R24-D57 IonicContact CZ-OD1 3.26Å; R24-D57 IonicContact NH1-OD1 2.71Å; R24-D57 PolarHBondContact NH1-OD1 2.98Å; R24-H78 PolarHBondContact NH1-CD2 3.15Å; R24-H78 PolarHBondContact NH1-CE1 3.15Å; R24-H78 VanDerWaalsContact NH1-CG 3.26Å; R24-H78 PolarHBondContact NH1-ND1 2.86Å; R24-H78 PolarHBondContact NH1-NE2 3.28Å; R24-H78 PolarHBondContact NH2-CE1 3.27Å
25	S	67.1	Low	61.6	Low	107 Å²	107	90.9 Å²	90.9	75%	0.748	49%	0.494	S	S	*	.			trans	-65.8	-12.5	-179.3	67.7	0	0	0	0	113	N46	S25-N46 WeakPolarHBondContact O-CB 3.29Å
26	C	85.4	Confident	64.3	Low	35 Å²	35	87.7 Å²	87.7	24%	0.236	47%	0.471	C	S	.	.	S	Bend	trans	-145	137.6	-175.4	-175.4	0	0	0	0	111.1	R24 N46 V48	R24-C26 PolarHBondContact O-N 2.89Å; R24-C26 VanDerWaalsContact O-N 3.15Å; C26-N46 CarbonylContact C-O 3.6Å; C26-N46 VanDerWaalsContact CA-O 3.27Å; C26-N46 WeakPolarHBondContact CA-O 3.2Å; C26-N46 PolarHBondContact SG-O 2.9Å; C26-V48 WeakPolarHBondContact SG-CG2 3.2Å
27	V	89.6	Confident	67.2	Low	15 Å²	15	84.9 Å²	84.9	9%	0.091	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.8	171.1	179.6	0	0	0	0	108.7	N46 W47 V48 D57 F58 M371	V27-N46 PolarHBondContact N-O 2.98Å; V27-W47 HydrophobicContact CB-CD2 3.88Å; V27-W47 HydrophobicContact CB-CE3 4.42Å; V27-W47 HydrophobicContact CB-CG 4.08Å; V27-W47 HydrophobicContact CB-CZ2 4.37Å; V27-W47 HydrophobicContact CG1-CD2 3.89Å; V27-W47 HydrophobicContact CG1-CE3 3.95Å; V27-W47 HydrophobicContact CG1-CH2 4.05Å; V27-W47 HydrophobicContact CG1-CZ2 4Å; V27-W47 HydrophobicContact CG1-CZ3 4.02Å; V27-W47 HydrophobicContact CG2-CZ2 4.37Å; V27-W47 CarbonylContact O-C 3.55Å; V27-W47 VanDerWaalsContact O-CA 3.29Å; V27-W47 WeakPolarHBondContact O-CA 3.29Å; V27-V48 PolarHBondContact O-N 3.26Å; V27-D57 HydrophobicContact CG1-CB 4.26Å; V27-F58 HydrophobicContact CG1-CB 4.2Å; V27-M371 HydrophobicContact CG1-CB 4.39Å; V27-M371 HydrophobicContact CG1-CE 4.43Å; V27-M371 HydrophobicContact CG2-CB 4.11Å
28	R	92.3	Very high	69.9	Low	68 Å²	68	77.9 Å²	77.9	26%	0.257	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.3	174.1	-62	171.1	-65.8	176.1	7.4	109	V48 V50 E55 D57 F58	R28-V48 CarbonylContact C-O 3.59Å; R28-V48 WeakPolarHBondContact CA-O 3.21Å; R28-V50 HydrophobicContact CB-CG2 3.73Å; R28-V50 HydrophobicContact CG-CG2 4.4Å; R28-E55 IonicContact CZ-OE2 2.99Å; R28-E55 VanDerWaalsContact NH1-CB 3.25Å; R28-E55 IonicContact NH1-OE2 2.84Å; R28-E55 PolarHBondContact NH1-OE2 3.24Å; R28-E55 IonicContact NH2-OE2 2.87Å; R28-E55 PolarHBondContact NH2-OE2 2.96Å; R28-D57 VanDerWaalsContact CB-OD2 3.28Å; R28-D57 WeakPolarHBondContact CB-OD2 3.36Å; R28-D57 IonicContact CZ-OD1 3.81Å; R28-D57 IonicContact CZ-OD2 3.91Å; R28-D57 PolarHBondContact N-OD2 2.95Å; R28-D57 IonicContact NE-OD1 3.62Å; R28-D57 IonicContact NE-OD2 3.15Å; R28-D57 PolarHBondContact NE-OD2 3.01Å; R28-D57 VanDerWaalsContact NE-OD2 3.15Å; R28-D57 IonicContact NH2-OD1 3.9Å; R28-D57 PolarHBondContact NH2-OD1 3.03Å; R28-D57 IonicContact NH2-OD2 3.8Å; R28-D57 PolarHBondContact O-N 2.78Å; R28-F58 PolarHBondContact O-N 2.95Å
29	Y	93.1	Very high	72.8	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.016	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.4	-178.9	75.6	-93.9	0	0	0	113.5	C31 L41 K42 W47 V48 E49 V50 F58	Y29-C31 HydrophobicContact CD2-CB 4.33Å; Y29-C31 HydrophobicContact CE2-CB 4.45Å; Y29-L41 HydrophobicContact CD1-CB 4.38Å; Y29-L41 HydrophobicContact CD2-CB 4Å; Y29-L41 HydrophobicContact CD2-CD1 3.71Å; Y29-L41 HydrophobicContact CD2-CD2 4.49Å; Y29-L41 HydrophobicContact CD2-CG 4.29Å; Y29-L41 HydrophobicContact CE1-CB 4.03Å; Y29-L41 HydrophobicContact CE2-CB 3.63Å; Y29-L41 HydrophobicContact CE2-CD1 3.92Å; Y29-L41 HydrophobicContact CE2-CG 4.34Å; Y29-L41 HydrophobicContact CG-CB 4.35Å; Y29-L41 HydrophobicContact CG-CD1 4.39Å; Y29-L41 HydrophobicContact CG-CD2 4.4Å; Y29-K42 WeakPolarHBondContact OH-CG 3.39Å; Y29-W47 HydrophobicContact CD1-CB 3.9Å; Y29-W47 AromaticContact CD1-CE3 3.94Å; Y29-W47 HydrophobicContact CD1-CE3 3.94Å; Y29-W47 HydrophobicContact CE1-CB 4.05Å; Y29-W47 HydrophobicContact CG-CE3 4.19Å; Y29-V48 VanDerWaalsContact CD1-C 3.47Å; Y29-V48 WeakPolarHBondContact CD1-O 3.4Å; Y29-V48 VanDerWaalsContact CE1-C 3.47Å; Y29-V48 PolarHBondContact N-O 2.97Å; Y29-E49 HydrophobicContact CE1-CB 4.08Å; Y29-E49 HydrophobicContact CE2-CB 3.84Å; Y29-E49 HydrophobicContact CE2-CG 3.79Å; Y29-E49 WeakPolarHBondContact O-CA 3.29Å; Y29-V50 PolarHBondContact O-N 3.43Å; Y29-F58 CarbonylContact C-O 3.56Å; Y29-F58 WeakPolarHBondContact CA-O 3.46Å
30	K	90.6	Very high	75.8	Confident	54 Å²	54	70 Å²	70	24%	0.235	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.4	168	-168.7	167.1	-175	162.1	0	109.2	W56 F58 N59 W60	K30-W56 HydrophobicContact CB-CB 4.39Å; K30-W56 HydrophobicContact CB-CG 4.38Å; K30-F58 PolarHBondContact N-O 2.87Å; K30-N59 HydrophobicContact CB-CB 4.37Å; K30-N59 WeakPolarHBondContact O-CA 3.43Å; K30-N59 PolarHBondContact O-OD1 3.46Å; K30-W60 PolarHBondContact O-N 3.32Å
31	C	87.8	Confident	78.6	Confident	16 Å²	16	61 Å²	61	11%	0.108	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	114.4	174.6	-171.9	0	0	0	0	110.3	Y29 L33 I37 L41	Y29-C31 HydrophobicContact CD2-CB 4.33Å; Y29-C31 HydrophobicContact CE2-CB 4.45Å; C31-L33 PolarHBondContact O-N 3.47Å; C31-I37 VanDerWaalsContact SG-CG2 3.57Å; C31-L41 HydrophobicContact CB-CD1 3.81Å
32	G	76.8	Confident	81	Confident	60 Å²	60	55.1 Å²	55.1	62%	0.619	31%	0.307	S	S	*	.			trans	-79.5	-2.8	177.1	0	0	0	0	0	114.1
33	L	81.2	Confident	83.6	Confident	38 Å²	38	53 Å²	53	20%	0.199	30%	0.297	C	S	.	.			trans	-107.5	119.9	-170.2	-62.6	177.6	0	0	0	111.8	C31 N35 I37 D62	C31-L33 PolarHBondContact O-N 3.47Å; L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 2.93Å; L33-N35 VanDerWaalsContact O-N 3.09Å; L33-I37 HydrophobicContact CB-CG2 4.11Å; L33-D62 HydrophobicContact CD2-CB 4.28Å
34	L	79.6	Confident	85.9	Confident	152 Å²	152	50.3 Å²	50.3	80%	0.796	27%	0.265	S	S	*	.			trans	-85.3	67	173.2	-57	178.2	0	0	0	110.9
35	N	85.5	Confident	87.3	Confident	30 Å²	30	48 Å²	48	16%	0.16	27%	0.269	C	S	.	.	S	Bend	trans	-141.5	-170.8	176.9	71.7	52.7	0	0	0	111.6	L33 I37 Q38 N347	L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 2.93Å; L33-N35 VanDerWaalsContact O-N 3.09Å; N35-I37 PolarHBondContact O-N 3.41Å; N35-I37 WeakPolarHBondContact OD1-CG2 3.26Å; N35-I37 PolarHBondContact OD1-N 3.2Å; N35-Q38 WeakPolarHBondContact O-CB 3.49Å; N35-Q38 PolarHBondContact O-N 3.48Å; N35-N347 WeakPolarHBondContact OD1-CB 3.42Å
36	T	88.3	Confident	88.4	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-44.3	-31.1	179.7	-45	0	0	0	0	114.4	Q38 D39 V40 N347 Y355 K358 F359 L362	T36-Q38 VanDerWaalsContact C-N 3.33Å; T36-Q38 PolarHBondContact O-N 3.4Å; T36-D39 PolarHBondContact O-N 2.9Å; T36-V40 VanDerWaalsContact O-CG2 3.32Å; T36-V40 WeakPolarHBondContact O-CG2 3.34Å; T36-V40 PolarHBondContact O-N 3.43Å; T36-N347 PolarHBondContact OG1-O 2.9Å; T36-Y355 HydrophobicContact CG2-CD2 3.9Å; T36-Y355 HydrophobicContact CG2-CE2 3.75Å; T36-K358 HydrophobicContact CG2-CB 4.26Å; T36-F359 HydrophobicContact CG2-CB 4.13Å; T36-F359 HydrophobicContact CG2-CD2 4.34Å; T36-L362 HydrophobicContact CG2-CD1 4.24Å
37	I	89.2	Confident	88.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-37.9	176.7	-170.3	57.2	0	0	0	112.8	C31 L33 N35 D39 V40 L41 W60 L362	C31-I37 VanDerWaalsContact SG-CG2 3.57Å; L33-I37 HydrophobicContact CB-CG2 4.11Å; N35-I37 PolarHBondContact O-N 3.41Å; N35-I37 WeakPolarHBondContact OD1-CG2 3.26Å; N35-I37 PolarHBondContact OD1-N 3.2Å; I37-D39 VanDerWaalsContact C-N 3.3Å; I37-D39 PolarHBondContact O-N 2.82Å; I37-V40 PolarHBondContact O-N 3.42Å; I37-L41 HydrophobicContact CD1-CD1 4.39Å; I37-L41 HydrophobicContact CD1-CG 4.26Å; I37-L41 HydrophobicContact CG1-CD1 3.91Å; I37-L41 HydrophobicContact CG1-CG 4.25Å; I37-L41 WeakPolarHBondContact O-CB 3.27Å; I37-L41 VanDerWaalsContact O-CG 3.24Å; I37-L41 WeakPolarHBondContact O-CG 3.28Å; I37-L41 PolarHBondContact O-N 2.83Å; I37-W60 HydrophobicContact CD1-CD2 3.75Å; I37-W60 HydrophobicContact CD1-CE3 3.51Å; I37-W60 HydrophobicContact CD1-CG 4.4Å; I37-W60 HydrophobicContact CD1-CH2 4.17Å; I37-W60 HydrophobicContact CD1-CZ2 4.36Å; I37-W60 HydrophobicContact CD1-CZ3 3.74Å; I37-W60 HydrophobicContact CG1-CB 4.26Å; I37-W60 HydrophobicContact CG1-CD2 3.54Å; I37-W60 HydrophobicContact CG1-CE3 3.84Å; I37-W60 HydrophobicContact CG1-CG 3.7Å; I37-W60 HydrophobicContact CG1-CZ3 4.46Å; I37-L362 HydrophobicContact CB-CD1 4Å; I37-L362 HydrophobicContact CD1-CB 4.05Å; I37-L362 HydrophobicContact CD1-CD1 4.06Å; I37-L362 HydrophobicContact CD1-CD2 4.18Å; I37-L362 HydrophobicContact CD1-CG 4.31Å
38	Q	89.8	Confident	88.8	Confident	22 Å²	22	50.7 Å²	50.7	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-38.3	178.3	-165.5	-178.7	26.6	0	0	110.3	N35 T36 L41 K42 E49	N35-Q38 WeakPolarHBondContact O-CB 3.49Å; N35-Q38 PolarHBondContact O-N 3.48Å; T36-Q38 VanDerWaalsContact C-N 3.33Å; T36-Q38 PolarHBondContact O-N 3.4Å; Q38-L41 PolarHBondContact O-N 3.41Å; Q38-K42 HydrophobicContact CG-CD 4.22Å; Q38-K42 VanDerWaalsContact NE2-NZ 3.15Å; Q38-K42 WeakPolarHBondContact O-CB 3.27Å; Q38-K42 VanDerWaalsContact O-CG 3.29Å; Q38-K42 WeakPolarHBondContact O-CG 3.4Å; Q38-K42 PolarHBondContact O-N 3.44Å; Q38-E49 PolarHBondContact NE2-OE1 3.28Å
39	D	91.6	Very high	88.8	Confident	60 Å²	60	49.9 Å²	49.9	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.4	-58	-36.1	0	0	0	111.2	T36 I37 K42 Q43 F359	T36-D39 PolarHBondContact O-N 2.9Å; I37-D39 VanDerWaalsContact C-N 3.3Å; I37-D39 PolarHBondContact O-N 2.82Å; D39-K42 PolarHBondContact O-N 3.09Å; D39-Q43 WeakPolarHBondContact O-CB 3.24Å; D39-Q43 VanDerWaalsContact O-CG 3.27Å; D39-Q43 WeakPolarHBondContact O-CG 3.48Å; D39-Q43 PolarHBondContact O-N 2.81Å; D39-F359 HydrophobicContact CB-CE2 4.29Å
40	V	92.4	Very high	88.7	Confident	4 Å²	4	51 Å²	51	2%	0.024	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-46.5	176.7	171.9	0	0	0	0	111.2	T36 I37 Q43 R44 F359 L362 E363 L366	T36-V40 VanDerWaalsContact O-CG2 3.32Å; T36-V40 WeakPolarHBondContact O-CG2 3.34Å; T36-V40 PolarHBondContact O-N 3.43Å; I37-V40 PolarHBondContact O-N 3.42Å; V40-Q43 PolarHBondContact O-N 2.94Å; V40-R44 PolarHBondContact O-N 3.25Å; V40-F359 HydrophobicContact CB-CE2 4.21Å; V40-F359 HydrophobicContact CB-CZ 4.45Å; V40-F359 HydrophobicContact CG2-CB 4.35Å; V40-F359 HydrophobicContact CG2-CD1 4.13Å; V40-F359 HydrophobicContact CG2-CD2 3.35Å; V40-F359 HydrophobicContact CG2-CE1 4.21Å; V40-F359 HydrophobicContact CG2-CE2 3.45Å; V40-F359 VanDerWaalsContact CG2-CE2 3.45Å; V40-F359 HydrophobicContact CG2-CG 3.71Å; V40-F359 HydrophobicContact CG2-CZ 3.88Å; V40-L362 HydrophobicContact CG1-CB 4.34Å; V40-L362 HydrophobicContact CG2-CB 4.06Å; V40-E363 HydrophobicContact CG1-CB 4.16Å; V40-L366 HydrophobicContact CG1-CD1 3.85Å
41	L	92.4	Very high	87.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-38.8	-180	-68.2	168.5	0	0	0	111.9	Y29 C31 I37 Q38 R44 W47 F58 W60 L366	Y29-L41 HydrophobicContact CD1-CB 4.38Å; Y29-L41 HydrophobicContact CD2-CB 4Å; Y29-L41 HydrophobicContact CD2-CD1 3.71Å; Y29-L41 HydrophobicContact CD2-CD2 4.49Å; Y29-L41 HydrophobicContact CD2-CG 4.29Å; Y29-L41 HydrophobicContact CE1-CB 4.03Å; Y29-L41 HydrophobicContact CE2-CB 3.63Å; Y29-L41 HydrophobicContact CE2-CD1 3.92Å; Y29-L41 HydrophobicContact CE2-CG 4.34Å; Y29-L41 HydrophobicContact CG-CB 4.35Å; Y29-L41 HydrophobicContact CG-CD1 4.39Å; Y29-L41 HydrophobicContact CG-CD2 4.4Å; C31-L41 HydrophobicContact CB-CD1 3.81Å; I37-L41 HydrophobicContact CD1-CD1 4.39Å; I37-L41 HydrophobicContact CD1-CG 4.26Å; I37-L41 HydrophobicContact CG1-CD1 3.91Å; I37-L41 HydrophobicContact CG1-CG 4.25Å; I37-L41 WeakPolarHBondContact O-CB 3.27Å; I37-L41 VanDerWaalsContact O-CG 3.24Å; I37-L41 WeakPolarHBondContact O-CG 3.28Å; I37-L41 PolarHBondContact O-N 2.83Å; Q38-L41 PolarHBondContact O-N 3.41Å; L41-R44 PolarHBondContact O-N 3.06Å; L41-W47 HydrophobicContact CD2-CE3 3.51Å; L41-W47 HydrophobicContact CD2-CH2 4.39Å; L41-W47 HydrophobicContact CD2-CZ3 3.37Å; L41-F58 HydrophobicContact CD2-CD1 4.25Å; L41-F58 HydrophobicContact CD2-CE1 3.99Å; L41-W60 HydrophobicContact CD1-CB 4.45Å; L41-L366 HydrophobicContact CD2-CD1 3.72Å; L41-L366 HydrophobicContact CD2-CD2 4.39Å
42	K	91.6	Very high	87.1	Confident	108 Å²	108	62.1 Å²	62.1	47%	0.47	33%	0.332	S	S	.	.	H	α-helix	trans	-69.2	-34.4	176.5	-76.1	177.4	179.3	168.5	0	113.6	Y29 Q38 D39 R44	Y29-K42 WeakPolarHBondContact OH-CG 3.39Å; Q38-K42 HydrophobicContact CG-CD 4.22Å; Q38-K42 VanDerWaalsContact NE2-NZ 3.15Å; Q38-K42 WeakPolarHBondContact O-CB 3.27Å; Q38-K42 VanDerWaalsContact O-CG 3.29Å; Q38-K42 WeakPolarHBondContact O-CG 3.4Å; Q38-K42 PolarHBondContact O-N 3.44Å; D39-K42 PolarHBondContact O-N 3.09Å; K42-R44 VanDerWaalsContact C-N 3.3Å
43	Q	91.9	Very high	86.8	Confident	125 Å²	125	67.1 Å²	67.1	58%	0.584	34%	0.344	S	S	*	.	H	α-helix	trans	-80.9	-12.6	179.9	-72.1	179.1	39.3	0	0	113	D39 V40 F359	D39-Q43 WeakPolarHBondContact O-CB 3.24Å; D39-Q43 VanDerWaalsContact O-CG 3.27Å; D39-Q43 WeakPolarHBondContact O-CG 3.48Å; D39-Q43 PolarHBondContact O-N 2.81Å; V40-Q43 PolarHBondContact O-N 2.94Å; Q43-F359 HydrophobicContact CB-CZ 4.23Å; Q43-F359 HydrophobicContact CG-CZ 4.49Å
44	R	90.3	Very high	86.3	Confident	16 Å²	16	66.9 Å²	66.9	6%	0.06	35%	0.351	C	S	.	.	S	Bend	trans	-76.9	126.5	-178.4	-162.6	169.1	-179.4	108	-11.5	110.7	V40 L41 K42 W47 E363 N367 E372	V40-R44 PolarHBondContact O-N 3.25Å; L41-R44 PolarHBondContact O-N 3.06Å; K42-R44 VanDerWaalsContact C-N 3.3Å; R44-W47 HydrophobicContact CB-CB 4.23Å; R44-W47 HydrophobicContact CB-CD2 4.49Å; R44-W47 HydrophobicContact CB-CG 3.99Å; R44-W47 VanDerWaalsContact CD-CE2 3.41Å; R44-W47 VanDerWaalsContact CD-NE1 3.32Å; R44-W47 HydrophobicContact CG-CD2 4.39Å; R44-W47 HydrophobicContact CG-CG 4.02Å; R44-W47 PolarHBondContact O-N 2.79Å; R44-E363 PolarHBondContact NH1-O 2.82Å; R44-N367 PolarHBondContact NH1-OD1 2.82Å; R44-N367 PolarHBondContact NH2-OD1 2.73Å; R44-E372 IonicContact CZ-OE1 3.99Å; R44-E372 IonicContact CZ-OE2 3.93Å; R44-E372 IonicContact NE-OE1 2.62Å; R44-E372 PolarHBondContact NE-OE1 3.21Å; R44-E372 IonicContact NE-OE2 3.2Å; R44-E372 IonicContact NH2-OE1 3.59Å; R44-E372 PolarHBondContact NH2-OE1 3.24Å; R44-E372 IonicContact NH2-OE2 2.73Å; R44-E372 PolarHBondContact NH2-OE2 3.2Å
45	P	87.8	Confident	86.5	Confident	93 Å²	93	65.9 Å²	65.9	60%	0.604	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	142.4	-178.8	27.6	-34.6	0	0	0	110.5	W47	P45-W47 VanDerWaalsContact C-N 3.27Å; P45-W47 PolarHBondContact O-N 3Å
46	N	89	Confident	86.7	Confident	116 Å²	116	66.4 Å²	66.4	62%	0.62	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	26.8	-179	-51.7	-33	0	0	0	114.4	S25 C26 V27	S25-N46 WeakPolarHBondContact O-CB 3.29Å; C26-N46 CarbonylContact C-O 3.6Å; C26-N46 VanDerWaalsContact CA-O 3.27Å; C26-N46 WeakPolarHBondContact CA-O 3.2Å; C26-N46 PolarHBondContact SG-O 2.9Å; V27-N46 PolarHBondContact N-O 2.98Å
47	W	92.6	Very high	86.8	Confident	16 Å²	16	66.5 Å²	66.5	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.1	171.1	-75.7	56.1	0	0	0	109.9	V27 Y29 L41 R44 P45 F58 L366 M371 E372	V27-W47 HydrophobicContact CB-CD2 3.88Å; V27-W47 HydrophobicContact CB-CE3 4.42Å; V27-W47 HydrophobicContact CB-CG 4.08Å; V27-W47 HydrophobicContact CB-CZ2 4.37Å; V27-W47 HydrophobicContact CG1-CD2 3.89Å; V27-W47 HydrophobicContact CG1-CE3 3.95Å; V27-W47 HydrophobicContact CG1-CH2 4.05Å; V27-W47 HydrophobicContact CG1-CZ2 4Å; V27-W47 HydrophobicContact CG1-CZ3 4.02Å; V27-W47 HydrophobicContact CG2-CZ2 4.37Å; V27-W47 CarbonylContact O-C 3.55Å; V27-W47 VanDerWaalsContact O-CA 3.29Å; V27-W47 WeakPolarHBondContact O-CA 3.29Å; Y29-W47 HydrophobicContact CD1-CB 3.9Å; Y29-W47 AromaticContact CD1-CE3 3.94Å; Y29-W47 HydrophobicContact CD1-CE3 3.94Å; Y29-W47 HydrophobicContact CE1-CB 4.05Å; Y29-W47 HydrophobicContact CG-CE3 4.19Å; L41-W47 HydrophobicContact CD2-CE3 3.51Å; L41-W47 HydrophobicContact CD2-CH2 4.39Å; L41-W47 HydrophobicContact CD2-CZ3 3.37Å; R44-W47 HydrophobicContact CB-CB 4.23Å; R44-W47 HydrophobicContact CB-CD2 4.49Å; R44-W47 HydrophobicContact CB-CG 3.99Å; R44-W47 VanDerWaalsContact CD-CE2 3.41Å; R44-W47 VanDerWaalsContact CD-NE1 3.32Å; R44-W47 HydrophobicContact CG-CD2 4.39Å; R44-W47 HydrophobicContact CG-CG 4.02Å; R44-W47 PolarHBondContact O-N 2.79Å; P45-W47 VanDerWaalsContact C-N 3.27Å; P45-W47 PolarHBondContact O-N 3Å; W47-F58 HydrophobicContact CH2-CB 4.34Å; W47-F58 HydrophobicContact CH2-CD1 4.2Å; W47-F58 HydrophobicContact CH2-CD2 4.1Å; W47-F58 HydrophobicContact CH2-CE1 4.5Å; W47-F58 HydrophobicContact CH2-CE2 4.44Å; W47-F58 AromaticContact CH2-CG 3.96Å; W47-F58 HydrophobicContact CH2-CG 3.96Å; W47-F58 HydrophobicContact CZ3-CB 3.99Å; W47-F58 AromaticContact CZ3-CD1 3.59Å; W47-F58 HydrophobicContact CZ3-CD1 3.59Å; W47-F58 HydrophobicContact CZ3-CD2 4.29Å; W47-F58 HydrophobicContact CZ3-CE1 4.06Å; W47-F58 AromaticContact CZ3-CG 3.7Å; W47-F58 HydrophobicContact CZ3-CG 3.7Å; W47-L366 HydrophobicContact CH2-CD1 4.36Å; W47-L366 HydrophobicContact CH2-CD2 3.95Å; W47-L366 HydrophobicContact CZ3-CD1 4.49Å; W47-L366 HydrophobicContact CZ3-CD2 4.36Å; W47-M371 HydrophobicContact CH2-CB 4.25Å; W47-M371 HydrophobicContact CH2-CG 3.92Å; W47-M371 HydrophobicContact CZ2-CB 3.87Å; W47-M371 HydrophobicContact CZ2-CG 4.05Å; W47-E372 PolarHBondContact NE1-OE1 2.96Å
48	V	92	Very high	87	Confident	80 Å²	80	66.5 Å²	66.5	49%	0.485	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.6	-176.2	171.4	0	0	0	0	110.5	C26 V27 R28 Y29	C26-V48 WeakPolarHBondContact SG-CG2 3.2Å; V27-V48 PolarHBondContact O-N 3.26Å; R28-V48 CarbonylContact C-O 3.59Å; R28-V48 WeakPolarHBondContact CA-O 3.21Å; Y29-V48 VanDerWaalsContact CD1-C 3.47Å; Y29-V48 WeakPolarHBondContact CD1-O 3.4Å; Y29-V48 VanDerWaalsContact CE1-C 3.47Å; Y29-V48 PolarHBondContact N-O 2.97Å
49	E	91.3	Very high	87.2	Confident	52 Å²	52	65.5 Å²	65.5	24%	0.243	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128	178.4	-167.5	172.3	-144.7	0	0	110.5	Y29 Q38	Y29-E49 HydrophobicContact CE1-CB 4.08Å; Y29-E49 HydrophobicContact CE2-CB 3.84Å; Y29-E49 HydrophobicContact CE2-CG 3.79Å; Y29-E49 WeakPolarHBondContact O-CA 3.29Å; Q38-E49 PolarHBondContact NE2-OE1 3.28Å
50	V	90.1	Very high	87.2	Confident	26 Å²	26	63.1 Å²	63.1	16%	0.158	33%	0.325	C	S	.	.			trans	-98.3	121.3	172.5	-175.1	0	0	0	0	108.7	R28 Y29	R28-V50 HydrophobicContact CB-CG2 3.73Å; R28-V50 HydrophobicContact CG-CG2 4.4Å; Y29-V50 PolarHBondContact O-N 3.43Å
51	K	74.9	Confident	87	Confident	176 Å²	176	63.1 Å²	63.1	77%	0.765	32%	0.324	S	S	*	.			trans	-95.5	-19.4	-175.4	-66.6	-175.4	178.5	178.8	0	114.6
52	D	71.6	Confident	86.7	Confident	128 Å²	128	66.1 Å²	66.1	68%	0.684	34%	0.341	S	S	*	.	S	Bend	trans	-116.4	-165.4	-174.5	-58.4	-44.6	0	0	0	112.4	G54	D52-G54 PolarHBondContact O-N 3.37Å
53	D	68.8	Low	86.3	Confident	165 Å²	165	62.4 Å²	62.4	88%	0.882	33%	0.327	S	S	*	.	S	Bend	trans	-70.3	23.2	171.5	-70.5	-29.4	0	0	0	113.7
54	G	72.3	Confident	85.9	Confident	33 Å²	33	58 Å²	58	34%	0.34	32%	0.315	S	S	.	.			trans	-66.2	153.5	174.3	0	0	0	0	0	111.6	D52	D52-G54 PolarHBondContact O-N 3.37Å
55	E	83.1	Confident	85.7	Confident	131 Å²	131	59.5 Å²	59.5	61%	0.612	32%	0.32	S	S	*	.			trans	-58.3	140	170.3	-71.8	177.8	-176.1	0	0	111.5	R28	R28-E55 IonicContact CZ-OE2 2.99Å; R28-E55 VanDerWaalsContact NH1-CB 3.25Å; R28-E55 IonicContact NH1-OE2 2.84Å; R28-E55 PolarHBondContact NH1-OE2 3.24Å; R28-E55 IonicContact NH2-OE2 2.87Å; R28-E55 PolarHBondContact NH2-OE2 2.96Å
56	W	89.4	Confident	85.6	Confident	41 Å²	41	55.4 Å²	55.4	16%	0.155	29%	0.294	C	S	.	.			trans	-133.8	145.6	-179.5	50.8	-89.6	0	0	0	109.7	K30 N59 W65 L75 V79 I81	K30-W56 HydrophobicContact CB-CB 4.39Å; K30-W56 HydrophobicContact CB-CG 4.38Å; W56-N59 HydrophobicContact CD2-CB 4.15Å; W56-N59 HydrophobicContact CE3-CB 3.55Å; W56-N59 HydrophobicContact CH2-CB 3.84Å; W56-N59 HydrophobicContact CZ2-CB 4.43Å; W56-N59 HydrophobicContact CZ3-CB 3.33Å; W56-W65 HydrophobicContact CH2-CH2 4.24Å; W56-W65 AromaticContact CZ2-CH2 3.95Å; W56-W65 HydrophobicContact CZ2-CH2 3.95Å; W56-W65 HydrophobicContact CZ2-CZ2 4.42Å; W56-L75 HydrophobicContact CH2-CD2 3.69Å; W56-L75 HydrophobicContact CZ2-CD2 4.01Å; W56-V79 HydrophobicContact CE3-CG1 3.85Å; W56-V79 HydrophobicContact CH2-CG1 3.72Å; W56-V79 HydrophobicContact CZ3-CG1 3.15Å; W56-I81 HydrophobicContact CH2-CD1 3.82Å; W56-I81 HydrophobicContact CH2-CG1 4.01Å; W56-I81 HydrophobicContact CZ3-CD1 4.32Å; W56-I81 HydrophobicContact CZ3-CG1 4Å
57	D	91.7	Very high	85.3	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	29%	0.291	C	S	.	.	S	Bend	trans	-97.8	-25.4	179.5	-48.1	-62.1	0	0	0	110.7	R24 V27 R28 H78 V79 R80 M371	R24-D57 IonicContact CZ-OD1 3.26Å; R24-D57 IonicContact NH1-OD1 2.71Å; R24-D57 PolarHBondContact NH1-OD1 2.98Å; V27-D57 HydrophobicContact CG1-CB 4.26Å; R28-D57 VanDerWaalsContact CB-OD2 3.28Å; R28-D57 WeakPolarHBondContact CB-OD2 3.36Å; R28-D57 IonicContact CZ-OD1 3.81Å; R28-D57 IonicContact CZ-OD2 3.91Å; R28-D57 PolarHBondContact N-OD2 2.95Å; R28-D57 IonicContact NE-OD1 3.62Å; R28-D57 IonicContact NE-OD2 3.15Å; R28-D57 PolarHBondContact NE-OD2 3.01Å; R28-D57 VanDerWaalsContact NE-OD2 3.15Å; R28-D57 IonicContact NH2-OD1 3.9Å; R28-D57 PolarHBondContact NH2-OD1 3.03Å; R28-D57 IonicContact NH2-OD2 3.8Å; R28-D57 PolarHBondContact O-N 2.78Å; D57-H78 IonicContact OD1-CD2 2.85Å; D57-H78 IonicContact OD1-NE2 2.7Å; D57-H78 PolarHBondContact OD1-NE2 3.14Å; D57-V79 VanDerWaalsContact O-CA 3.29Å; D57-V79 WeakPolarHBondContact O-CA 3.1Å; D57-R80 PolarHBondContact O-N 3.29Å; D57-M371 HydrophobicContact CB-CE 4.15Å; D57-M371 WeakPolarHBondContact O-CE 3.13Å
58	F	93.1	Very high	84.8	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.3	-179.5	-174.9	-95	0	0	0	111.5	V27 R28 Y29 K30 L41 W47 W60 R80 F321 L366 V369 M371	V27-F58 HydrophobicContact CG1-CB 4.2Å; R28-F58 PolarHBondContact O-N 2.95Å; Y29-F58 CarbonylContact C-O 3.56Å; Y29-F58 WeakPolarHBondContact CA-O 3.46Å; K30-F58 PolarHBondContact N-O 2.87Å; L41-F58 HydrophobicContact CD2-CD1 4.25Å; L41-F58 HydrophobicContact CD2-CE1 3.99Å; W47-F58 HydrophobicContact CH2-CB 4.34Å; W47-F58 HydrophobicContact CH2-CD1 4.2Å; W47-F58 HydrophobicContact CH2-CD2 4.1Å; W47-F58 HydrophobicContact CH2-CE1 4.5Å; W47-F58 HydrophobicContact CH2-CE2 4.44Å; W47-F58 AromaticContact CH2-CG 3.96Å; W47-F58 HydrophobicContact CH2-CG 3.96Å; W47-F58 HydrophobicContact CZ3-CB 3.99Å; W47-F58 AromaticContact CZ3-CD1 3.59Å; W47-F58 HydrophobicContact CZ3-CD1 3.59Å; W47-F58 HydrophobicContact CZ3-CD2 4.29Å; W47-F58 HydrophobicContact CZ3-CE1 4.06Å; W47-F58 AromaticContact CZ3-CG 3.7Å; W47-F58 HydrophobicContact CZ3-CG 3.7Å; F58-W60 HydrophobicContact CE1-CB 3.98Å; F58-W60 AromaticContact CE1-CE3 3.94Å; F58-W60 HydrophobicContact CE1-CE3 3.94Å; F58-W60 AromaticContact CZ-CE3 3.73Å; F58-W60 HydrophobicContact CZ-CE3 3.73Å; F58-W60 HydrophobicContact CZ-CZ3 4.34Å; F58-R80 WeakPolarHBondContact CA-O 3.48Å; F58-R80 HydrophobicContact CD2-CB 3.96Å; F58-R80 HydrophobicContact CE2-CB 4.32Å; F58-F321 AromaticContact CE2-CE1 3.64Å; F58-F321 HydrophobicContact CE2-CE1 3.64Å; F58-F321 AromaticContact CE2-CZ 3.75Å; F58-F321 HydrophobicContact CE2-CZ 3.75Å; F58-F321 HydrophobicContact CZ-CE1 4.11Å; F58-F321 AromaticContact CZ-CZ 3.76Å; F58-F321 HydrophobicContact CZ-CZ 3.76Å; F58-L366 HydrophobicContact CE1-CD2 3.87Å; F58-L366 HydrophobicContact CE2-CD2 3.86Å; F58-L366 HydrophobicContact CZ-CD2 3.31Å; F58-V369 HydrophobicContact CE2-CG1 4.46Å; F58-M371 HydrophobicContact CB-CE 4.33Å; F58-M371 HydrophobicContact CD2-CG 4.01Å; F58-M371 HydrophobicContact CD2-SD 4.22Å
59	N	92.3	Very high	84.3	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.011	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	114.8	173.7	-174.2	10.2	0	0	0	111.2	K30 W56 C61 W65 R80 I81 N82	K30-N59 HydrophobicContact CB-CB 4.37Å; K30-N59 WeakPolarHBondContact O-CA 3.43Å; K30-N59 PolarHBondContact O-OD1 3.46Å; W56-N59 HydrophobicContact CD2-CB 4.15Å; W56-N59 HydrophobicContact CE3-CB 3.55Å; W56-N59 HydrophobicContact CH2-CB 3.84Å; W56-N59 HydrophobicContact CZ2-CB 4.43Å; W56-N59 HydrophobicContact CZ3-CB 3.33Å; N59-C61 PolarHBondContact O-N 3.47Å; N59-W65 WeakPolarHBondContact ND2-CH2 3.5Å; N59-W65 VanDerWaalsContact ND2-CZ2 3.29Å; N59-W65 WeakPolarHBondContact ND2-CZ2 3.4Å; N59-W65 WeakPolarHBondContact ND2-CZ3 3.28Å; N59-R80 PolarHBondContact N-O 2.72Å; N59-I81 HydrophobicContact CB-CG1 4.46Å; N59-I81 WeakPolarHBondContact O-CA 3.42Å; N59-N82 PolarHBondContact O-OD1 3.06Å
60	W	92	Very high	83.7	Confident	10 Å²	10	59.6 Å²	59.6	4%	0.038	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	91	165.6	-160.7	-65.6	0	0	0	109	K30 I37 L41 F58 N82 F321 L323 L362 T365 L366	K30-W60 PolarHBondContact O-N 3.32Å; I37-W60 HydrophobicContact CD1-CD2 3.75Å; I37-W60 HydrophobicContact CD1-CE3 3.51Å; I37-W60 HydrophobicContact CD1-CG 4.4Å; I37-W60 HydrophobicContact CD1-CH2 4.17Å; I37-W60 HydrophobicContact CD1-CZ2 4.36Å; I37-W60 HydrophobicContact CD1-CZ3 3.74Å; I37-W60 HydrophobicContact CG1-CB 4.26Å; I37-W60 HydrophobicContact CG1-CD2 3.54Å; I37-W60 HydrophobicContact CG1-CE3 3.84Å; I37-W60 HydrophobicContact CG1-CG 3.7Å; I37-W60 HydrophobicContact CG1-CZ3 4.46Å; L41-W60 HydrophobicContact CD1-CB 4.45Å; F58-W60 HydrophobicContact CE1-CB 3.98Å; F58-W60 AromaticContact CE1-CE3 3.94Å; F58-W60 HydrophobicContact CE1-CE3 3.94Å; F58-W60 AromaticContact CZ-CE3 3.73Å; F58-W60 HydrophobicContact CZ-CE3 3.73Å; F58-W60 HydrophobicContact CZ-CZ3 4.34Å; W60-N82 WeakPolarHBondContact CA-OD1 3.32Å; W60-N82 HydrophobicContact CD2-CB 4.01Å; W60-N82 HydrophobicContact CE3-CB 4.19Å; W60-N82 HydrophobicContact CG-CB 4.42Å; W60-N82 HydrophobicContact CZ2-CB 4.47Å; W60-N82 HydrophobicContact CZ3-CB 4.5Å; W60-N82 PolarHBondContact NE1-ND2 3.28Å; W60-F321 HydrophobicContact CE3-CZ 4.31Å; W60-F321 HydrophobicContact CH2-CE2 4.4Å; W60-F321 HydrophobicContact CZ3-CE2 4.05Å; W60-F321 HydrophobicContact CZ3-CZ 4.08Å; W60-L323 HydrophobicContact CH2-CD2 4.41Å; W60-L362 HydrophobicContact CH2-CD2 3.6Å; W60-L362 HydrophobicContact CZ2-CD2 3.81Å; W60-L362 HydrophobicContact CZ3-CD2 4.44Å; W60-T365 HydrophobicContact CH2-CG2 4.24Å; W60-T365 HydrophobicContact CZ3-CG2 4.25Å; W60-L366 HydrophobicContact CZ3-CD2 4.39Å
61	C	88.4	Confident	83	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.02	32%	0.321	C	S	.	.			trans	-100.6	160.7	-174.7	74.3	0	0	0	0	112.1	N59 W65 N82 H83	N59-C61 PolarHBondContact O-N 3.47Å; C61-W65 HydrophobicContact CB-CB 4.07Å; C61-W65 HydrophobicContact CB-CD2 3.82Å; C61-W65 HydrophobicContact CB-CE3 3.43Å; C61-W65 VanDerWaalsContact CB-CE3 3.43Å; C61-W65 HydrophobicContact CB-CG 4.08Å; C61-W65 HydrophobicContact CB-CZ3 4.24Å; C61-N82 PolarHBondContact N-OD1 3.49Å; C61-N82 PolarHBondContact O-ND2 3.28Å; C61-N82 VanDerWaalsContact O-ND2 3.11Å; C61-N82 PolarHBondContact O-OD1 2.89Å; C61-H83 PolarHBondContact O-CD2 2.87Å; C61-H83 PolarHBondContact O-NE2 2.89Å
62	D	86.1	Confident	82.9	Confident	63 Å²	63	63.3 Å²	63.3	34%	0.337	32%	0.321	S	S	.	.			trans	-83.3	169.9	163.8	65.7	64.4	0	0	0	111.5	L33 G64 W65 L66	L33-D62 HydrophobicContact CD2-CB 4.28Å; D62-G64 PolarHBondContact O-N 2.72Å; D62-G64 WeakPolarHBondContact OD1-CA 3.49Å; D62-G64 PolarHBondContact OD1-N 2.67Å; D62-W65 PolarHBondContact O-N 2.91Å; D62-W65 PolarHBondContact OD1-N 2.89Å; D62-L66 PolarHBondContact O-N 3.49Å
63	V	84.1	Confident	83	Confident	31 Å²	31	59.6 Å²	59.6	19%	0.188	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-25.3	-179.2	176.8	0	0	0	0	112.4	R67 H87	V63-R67 WeakPolarHBondContact O-CG 3.17Å; V63-R67 PolarHBondContact O-N 2.94Å; V63-H87 WeakPolarHBondContact CG1-NE2 3.35Å
64	G	82.7	Confident	83.6	Confident	31 Å²	31	62 Å²	62	32%	0.32	30%	0.304	S	S	.	.	H	α-helix	trans	-68.7	-52	175.6	0	0	0	0	0	110.6	D62 L66 R67 E68	D62-G64 PolarHBondContact O-N 2.72Å; D62-G64 WeakPolarHBondContact OD1-CA 3.49Å; D62-G64 PolarHBondContact OD1-N 2.67Å; G64-L66 VanDerWaalsContact C-N 3.27Å; G64-L66 PolarHBondContact O-N 2.84Å; G64-R67 PolarHBondContact O-N 2.96Å; G64-R67 VanDerWaalsContact O-N 3.09Å; G64-E68 PolarHBondContact O-N 3.06Å
65	W	85.8	Confident	84.2	Confident	48 Å²	48	61.5 Å²	61.5	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-55.7	-42.5	176.3	-173.7	91.5	0	0	0	112.1	W56 N59 C61 D62 R67 E68 N69 I81	W56-W65 HydrophobicContact CH2-CH2 4.24Å; W56-W65 AromaticContact CZ2-CH2 3.95Å; W56-W65 HydrophobicContact CZ2-CH2 3.95Å; W56-W65 HydrophobicContact CZ2-CZ2 4.42Å; N59-W65 WeakPolarHBondContact ND2-CH2 3.5Å; N59-W65 VanDerWaalsContact ND2-CZ2 3.29Å; N59-W65 WeakPolarHBondContact ND2-CZ2 3.4Å; N59-W65 WeakPolarHBondContact ND2-CZ3 3.28Å; C61-W65 HydrophobicContact CB-CB 4.07Å; C61-W65 HydrophobicContact CB-CD2 3.82Å; C61-W65 HydrophobicContact CB-CE3 3.43Å; C61-W65 VanDerWaalsContact CB-CE3 3.43Å; C61-W65 HydrophobicContact CB-CG 4.08Å; C61-W65 HydrophobicContact CB-CZ3 4.24Å; D62-W65 PolarHBondContact O-N 2.91Å; D62-W65 PolarHBondContact OD1-N 2.89Å; W65-R67 VanDerWaalsContact C-N 3.31Å; W65-R67 PolarHBondContact O-N 3.07Å; W65-E68 PolarHBondContact O-N 3.25Å; W65-N69 VanDerWaalsContact CD1-ND2 3.29Å; W65-N69 HydrophobicContact CD2-CB 4.1Å; W65-N69 HydrophobicContact CE3-CB 4.31Å; W65-N69 HydrophobicContact CH2-CB 3.85Å; W65-N69 HydrophobicContact CZ2-CB 3.61Å; W65-N69 HydrophobicContact CZ3-CB 4.2Å; W65-N69 PolarHBondContact NE1-ND2 3.17Å; W65-N69 WeakPolarHBondContact O-CB 3.29Å; W65-N69 PolarHBondContact O-N 3.13Å; W65-N69 PolarHBondContact O-ND2 2.77Å; W65-I81 HydrophobicContact CZ3-CD1 4.5Å
66	L	85.4	Confident	84.3	Confident	8 Å²	8	59 Å²	59	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-43.9	178.1	-172.6	77.2	0	0	0	112	D62 G64 E68 F70 I81 H83	D62-L66 PolarHBondContact O-N 3.49Å; G64-L66 VanDerWaalsContact C-N 3.27Å; G64-L66 PolarHBondContact O-N 2.84Å; L66-E68 VanDerWaalsContact C-N 3.31Å; L66-E68 PolarHBondContact O-N 3.48Å; L66-F70 HydrophobicContact CD1-CB 4.1Å; L66-F70 HydrophobicContact CD1-CD2 3.39Å; L66-F70 HydrophobicContact CD1-CE2 4.12Å; L66-F70 HydrophobicContact CD1-CG 4.05Å; L66-F70 HydrophobicContact CG-CB 4.42Å; L66-F70 HydrophobicContact CG-CD2 4.45Å; L66-F70 WeakPolarHBondContact O-CB 3.49Å; L66-F70 PolarHBondContact O-N 3.44Å; L66-I81 HydrophobicContact CD1-CG2 4.11Å; L66-H83 HydrophobicContact CD1-CB 4.13Å; L66-H83 HydrophobicContact CD2-CB 3.52Å; L66-H83 HydrophobicContact CG-CB 4.37Å
67	R	83.3	Confident	84.1	Confident	151 Å²	151	63.5 Å²	63.5	57%	0.57	31%	0.307	S	S	*	.	H	α-helix	trans	-67.7	-33	-178.1	-72.9	177.3	-174.2	170.7	9.6	113	V63 G64 W65	V63-R67 WeakPolarHBondContact O-CG 3.17Å; V63-R67 PolarHBondContact O-N 2.94Å; G64-R67 PolarHBondContact O-N 2.96Å; G64-R67 VanDerWaalsContact O-N 3.09Å; W65-R67 VanDerWaalsContact C-N 3.31Å; W65-R67 PolarHBondContact O-N 3.07Å
68	E	83.2	Confident	83.8	Confident	139 Å²	139	65.9 Å²	65.9	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-86	-31.9	-175	-69.5	172.9	-175.5	0	0	112.4	G64 W65 L66 H72	G64-E68 PolarHBondContact O-N 3.06Å; W65-E68 PolarHBondContact O-N 3.25Å; L66-E68 VanDerWaalsContact C-N 3.31Å; L66-E68 PolarHBondContact O-N 3.48Å; E68-H72 PolarHBondContact O-CD2 2.82Å
69	N	81.1	Confident	83.7	Confident	51 Å²	51	66.2 Å²	66.2	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-114.6	-23.3	-165.7	-61.7	-76	0	0	0	114.6	W65 D71 H72 S73	W65-N69 VanDerWaalsContact CD1-ND2 3.29Å; W65-N69 HydrophobicContact CD2-CB 4.1Å; W65-N69 HydrophobicContact CE3-CB 4.31Å; W65-N69 HydrophobicContact CH2-CB 3.85Å; W65-N69 HydrophobicContact CZ2-CB 3.61Å; W65-N69 HydrophobicContact CZ3-CB 4.2Å; W65-N69 PolarHBondContact NE1-ND2 3.17Å; W65-N69 WeakPolarHBondContact O-CB 3.29Å; W65-N69 PolarHBondContact O-N 3.13Å; W65-N69 PolarHBondContact O-ND2 2.77Å; N69-D71 PolarHBondContact O-N 3.43Å; N69-H72 PolarHBondContact O-N 3.31Å; N69-S73 WeakPolarHBondContact O-CB 3.22Å; N69-S73 PolarHBondContact O-N 3.27Å; N69-S73 PolarHBondContact O-OG 2.79Å
70	F	78.1	Confident	83.8	Confident	11 Å²	11	69.2 Å²	69.2	5%	0.048	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-67.4	-42.2	-169.7	-164.3	-74	0	0	0	112.7	L66 H72 L75 I81 R85	L66-F70 HydrophobicContact CD1-CB 4.1Å; L66-F70 HydrophobicContact CD1-CD2 3.39Å; L66-F70 HydrophobicContact CD1-CE2 4.12Å; L66-F70 HydrophobicContact CD1-CG 4.05Å; L66-F70 HydrophobicContact CG-CB 4.42Å; L66-F70 HydrophobicContact CG-CD2 4.45Å; L66-F70 WeakPolarHBondContact O-CB 3.49Å; L66-F70 PolarHBondContact O-N 3.44Å; F70-H72 VanDerWaalsContact C-N 3.26Å; F70-H72 PolarHBondContact O-N 3.44Å; F70-L75 HydrophobicContact CE2-CD1 4.03Å; F70-L75 HydrophobicContact CZ-CD1 4.03Å; F70-I81 HydrophobicContact CD2-CD1 3.8Å; F70-I81 HydrophobicContact CE2-CD1 3.64Å; F70-R85 HydrophobicContact CD1-CG 3.91Å; F70-R85 HydrophobicContact CE1-CG 3.82Å; F70-R85 HydrophobicContact CZ-CG 4.22Å
71	D	76.6	Confident	83.8	Confident	113 Å²	113	68.8 Å²	68.8	60%	0.604	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-77.7	-12	-177.4	-69.5	-33.7	0	0	0	113.3	N69 R85	N69-D71 PolarHBondContact O-N 3.43Å; D71-R85 IonicContact OD1-CZ 2.69Å; D71-R85 IonicContact OD1-NH1 3.36Å; D71-R85 PolarHBondContact OD1-NH1 3.37Å
72	H	72.9	Confident	84.1	Confident	166 Å²	166	69 Å²	69	77%	0.769	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-103.8	-4.5	-178.7	-60.8	-50.7	0	0	0	113.7	E68 N69 F70	E68-H72 PolarHBondContact O-CD2 2.82Å; N69-H72 PolarHBondContact O-N 3.31Å; F70-H72 VanDerWaalsContact C-N 3.26Å; F70-H72 PolarHBondContact O-N 3.44Å
73	S	73.6	Confident	84.5	Confident	51 Å²	51	66.1 Å²	66.1	36%	0.357	32%	0.315	S	S	.	.			trans	-111.1	129.3	-175.5	-55.6	0	0	0	0	111.2	N69	N69-S73 WeakPolarHBondContact O-CB 3.22Å; N69-S73 PolarHBondContact O-N 3.27Å; N69-S73 PolarHBondContact O-OG 2.79Å
74	Y	79.9	Confident	84.9	Confident	214 Å²	214	64.6 Å²	64.6	84%	0.839	31%	0.306	S	S	*	.			trans	-78.8	123.1	164.6	-171	-94.7	0	0	0	108.6
75	L	85.1	Confident	85.2	Confident	24 Å²	24	67.7 Å²	67.7	13%	0.126	31%	0.307	C	S	.	.			trans	-106.3	127.9	-179	-58	176.6	0	0	0	109.6	W56 F70 V79 I81 H319	W56-L75 HydrophobicContact CH2-CD2 3.69Å; W56-L75 HydrophobicContact CZ2-CD2 4.01Å; F70-L75 HydrophobicContact CE2-CD1 4.03Å; F70-L75 HydrophobicContact CZ-CD1 4.03Å; L75-V79 HydrophobicContact CB-CB 4.39Å; L75-V79 HydrophobicContact CB-CG1 4.49Å; L75-V79 HydrophobicContact CD2-CG1 4.17Å; L75-I81 HydrophobicContact CD1-CD1 3.53Å; L75-I81 HydrophobicContact CD2-CD1 4.36Å; L75-H319 HydrophobicContact CD1-CB 4.2Å
76	D	84.8	Confident	85.5	Confident	77 Å²	77	65.9 Å²	65.9	41%	0.412	30%	0.301	S	S	.	.			trans	-67.1	156.3	172.5	-74.5	-26.7	0	0	0	111.6	H78 V79 H319	D76-H78 WeakPolarHBondContact CB-CE1 3.29Å; D76-H78 WeakPolarHBondContact CB-ND1 3.41Å; D76-H78 PolarHBondContact O-N 3.09Å; D76-H78 VanDerWaalsContact O-N 3.09Å; D76-H78 IonicContact OD2-CE1 3.55Å; D76-H78 PolarHBondContact OD2-CE1 3.24Å; D76-V79 HydrophobicContact CB-CG2 4Å; D76-V79 VanDerWaalsContact O-CB 3.28Å; D76-V79 WeakPolarHBondContact O-CB 3.2Å; D76-V79 WeakPolarHBondContact O-CG2 3.28Å; D76-V79 PolarHBondContact O-N 3.26Å; D76-H319 PolarHBondContact O-CD2 3.43Å; D76-H319 VanDerWaalsContact O-CD2 3.24Å; D76-H319 PolarHBondContact O-NE2 3.28Å
77	E	85.4	Confident	85.8	Confident	137 Å²	137	66 Å²	66	64%	0.64	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.3	-172.2	171.1	155.2	-125.7	0	0	115.1	V79 R80 K318	E77-V79 VanDerWaalsContact C-N 3.29Å; E77-R80 PolarHBondContact O-NH1 3.34Å; E77-K318 VanDerWaalsContact CD-NZ 3.26Å; E77-K318 IonicContact OE1-NZ 3.08Å; E77-K318 PolarHBondContact OE1-NZ 2.94Å
78	H	85.7	Confident	86.2	Confident	54 Å²	54	62.4 Å²	62.4	25%	0.25	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.5	-179.5	65.2	-87.4	0	0	0	112.5	R24 D57 D76 R80 M371	R24-H78 PolarHBondContact NH1-CD2 3.15Å; R24-H78 PolarHBondContact NH1-CE1 3.15Å; R24-H78 VanDerWaalsContact NH1-CG 3.26Å; R24-H78 PolarHBondContact NH1-ND1 2.86Å; R24-H78 PolarHBondContact NH1-NE2 3.28Å; R24-H78 PolarHBondContact NH2-CE1 3.27Å; D57-H78 IonicContact OD1-CD2 2.85Å; D57-H78 IonicContact OD1-NE2 2.7Å; D57-H78 PolarHBondContact OD1-NE2 3.14Å; D76-H78 WeakPolarHBondContact CB-CE1 3.29Å; D76-H78 WeakPolarHBondContact CB-ND1 3.41Å; D76-H78 PolarHBondContact O-N 3.09Å; D76-H78 VanDerWaalsContact O-N 3.09Å; D76-H78 IonicContact OD2-CE1 3.55Å; D76-H78 PolarHBondContact OD2-CE1 3.24Å; H78-R80 PolarHBondContact O-NH1 2.81Å; H78-M371 WeakPolarHBondContact O-CE 3.01Å
79	V	91.6	Very high	86.7	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.036	26%	0.264	C	S	.	.			trans	-67.4	140.2	-171.2	176.3	0	0	0	0	111.1	W56 D57 L75 D76 E77 I81 H319	W56-V79 HydrophobicContact CE3-CG1 3.85Å; W56-V79 HydrophobicContact CH2-CG1 3.72Å; W56-V79 HydrophobicContact CZ3-CG1 3.15Å; D57-V79 VanDerWaalsContact O-CA 3.29Å; D57-V79 WeakPolarHBondContact O-CA 3.1Å; L75-V79 HydrophobicContact CB-CB 4.39Å; L75-V79 HydrophobicContact CB-CG1 4.49Å; L75-V79 HydrophobicContact CD2-CG1 4.17Å; D76-V79 HydrophobicContact CB-CG2 4Å; D76-V79 VanDerWaalsContact O-CB 3.28Å; D76-V79 WeakPolarHBondContact O-CB 3.2Å; D76-V79 WeakPolarHBondContact O-CG2 3.28Å; D76-V79 PolarHBondContact O-N 3.26Å; E77-V79 VanDerWaalsContact C-N 3.29Å; V79-I81 HydrophobicContact CG1-CG1 4.48Å; V79-H319 WeakPolarHBondContact O-CA 3.48Å; V79-H319 WeakPolarHBondContact O-CB 3.22Å; V79-H319 PolarHBondContact O-CD2 3.28Å
80	R	93.5	Very high	87.4	Confident	66 Å²	66	54.8 Å²	54.8	25%	0.249	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.3	174.4	-62.7	-66.6	179.5	-88.9	-2.7	113.6	D57 F58 N59 E77 H78 H319 F321 V369 M371	D57-R80 PolarHBondContact O-N 3.29Å; F58-R80 WeakPolarHBondContact CA-O 3.48Å; F58-R80 HydrophobicContact CD2-CB 3.96Å; F58-R80 HydrophobicContact CE2-CB 4.32Å; N59-R80 PolarHBondContact N-O 2.72Å; E77-R80 PolarHBondContact O-NH1 3.34Å; H78-R80 PolarHBondContact O-NH1 2.81Å; R80-H319 CarbonylContact C-O 3.53Å; R80-H319 VanDerWaalsContact CA-O 3.22Å; R80-H319 WeakPolarHBondContact CA-O 3.43Å; R80-F321 HydrophobicContact CB-CD1 4.44Å; R80-F321 HydrophobicContact CB-CE1 4.27Å; R80-V369 HydrophobicContact CB-CG1 4.15Å; R80-V369 HydrophobicContact CG-CG1 3.91Å; R80-M371 HydrophobicContact CB-CE 4.47Å; R80-M371 HydrophobicContact CB-SD 3.69Å; R80-M371 HydrophobicContact CG-CE 4.3Å; R80-M371 HydrophobicContact CG-SD 3.29Å; R80-M371 WeakPolarHBondContact CG-SD 3.4Å
81	I	93.4	Very high	88	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.2	-178.6	-55.5	174.7	0	0	0	109.3	W56 N59 W65 L66 F70 L75 V79 H83 H319 C320 F321	W56-I81 HydrophobicContact CH2-CD1 3.82Å; W56-I81 HydrophobicContact CH2-CG1 4.01Å; W56-I81 HydrophobicContact CZ3-CD1 4.32Å; W56-I81 HydrophobicContact CZ3-CG1 4Å; N59-I81 HydrophobicContact CB-CG1 4.46Å; N59-I81 WeakPolarHBondContact O-CA 3.42Å; W65-I81 HydrophobicContact CZ3-CD1 4.5Å; L66-I81 HydrophobicContact CD1-CG2 4.11Å; F70-I81 HydrophobicContact CD2-CD1 3.8Å; F70-I81 HydrophobicContact CE2-CD1 3.64Å; L75-I81 HydrophobicContact CD1-CD1 3.53Å; L75-I81 HydrophobicContact CD2-CD1 4.36Å; V79-I81 HydrophobicContact CG1-CG1 4.48Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 3.38Å; I81-H319 PolarHBondContact N-O 3.13Å; I81-C320 WeakPolarHBondContact O-CA 3.38Å; I81-F321 WeakPolarHBondContact O-CD1 3.35Å; I81-F321 WeakPolarHBondContact O-CE1 3.49Å; I81-F321 PolarHBondContact O-N 3.09Å
82	N	93.8	Very high	88.8	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	25%	0.245	C	C	.	.	S	Bend	trans	-83.2	16.9	-172.3	68.9	-62.6	0	0	0	115.7	N59 W60 C61 F321	N59-N82 PolarHBondContact O-OD1 3.06Å; W60-N82 WeakPolarHBondContact CA-OD1 3.32Å; W60-N82 HydrophobicContact CD2-CB 4.01Å; W60-N82 HydrophobicContact CE3-CB 4.19Å; W60-N82 HydrophobicContact CG-CB 4.42Å; W60-N82 HydrophobicContact CZ2-CB 4.47Å; W60-N82 HydrophobicContact CZ3-CB 4.5Å; W60-N82 PolarHBondContact NE1-ND2 3.28Å; C61-N82 PolarHBondContact N-OD1 3.49Å; C61-N82 PolarHBondContact O-ND2 3.28Å; C61-N82 VanDerWaalsContact O-ND2 3.11Å; C61-N82 PolarHBondContact O-OD1 2.89Å; N82-F321 CarbonylContact C-O 3.59Å; N82-F321 WeakPolarHBondContact CA-O 3.4Å; N82-F321 HydrophobicContact CB-CD2 4.5Å; N82-F321 HydrophobicContact CB-CE1 4.17Å; N82-F321 HydrophobicContact CB-CE2 3.71Å; N82-F321 HydrophobicContact CB-CZ 3.51Å
83	H	94	Very high	89.6	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	21%	0.214	C	C	.	.			trans	-142.9	142.8	176.7	-70	-57.7	0	0	0	113.8	C61 L66 I81 C320 F321 E322	C61-H83 PolarHBondContact O-CD2 2.87Å; C61-H83 PolarHBondContact O-NE2 2.89Å; L66-H83 HydrophobicContact CD1-CB 4.13Å; L66-H83 HydrophobicContact CD2-CB 3.52Å; L66-H83 HydrophobicContact CG-CB 4.37Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 3.38Å; H83-C320 WeakPolarHBondContact O-CB 3.35Å; H83-C320 PolarHBondContact O-SG 3.02Å; H83-F321 WeakPolarHBondContact CA-O 3.11Å; H83-F321 PolarHBondContact N-O 3.39Å; H83-E322 WeakPolarHBondContact CA-OE2 3.17Å; H83-E322 IonicContact CE1-OE1 2.72Å; H83-E322 PolarHBondContact CE1-OE1 3.36Å; H83-E322 IonicContact CG-OE1 2.84Å; H83-E322 IonicContact CG-OE2 2.67Å; H83-E322 IonicContact ND1-OE1 3.08Å; H83-E322 PolarHBondContact ND1-OE1 3.27Å; H83-E322 IonicContact ND1-OE2 3.64Å; H83-E322 PolarHBondContact ND1-OE2 3.3Å
84	F	93.1	Very high	90.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.205	C	C	.	.			trans	-82.5	145.6	164.4	-67.9	-78.5	0	0	0	111.1	N86 H87 V216 Y219 I314 C320 E322	F84-N86 VanDerWaalsContact C-N 3.3Å; F84-N86 PolarHBondContact O-N 3.34Å; F84-N86 VanDerWaalsContact O-N 3.16Å; F84-H87 HydrophobicContact CB-CB 4.48Å; F84-H87 VanDerWaalsContact O-CB 3.3Å; F84-H87 WeakPolarHBondContact O-CB 3.31Å; F84-H87 PolarHBondContact O-CD2 3.39Å; F84-H87 PolarHBondContact O-N 3.2Å; F84-V216 HydrophobicContact CE2-CB 4.37Å; F84-V216 HydrophobicContact CE2-CG1 4.14Å; F84-V216 HydrophobicContact CZ-CG1 4.4Å; F84-Y219 HydrophobicContact CD1-CD2 4.29Å; F84-Y219 HydrophobicContact CD2-CD2 4.04Å; F84-Y219 AromaticContact CD2-CE2 3.62Å; F84-Y219 HydrophobicContact CD2-CE2 3.62Å; F84-Y219 AromaticContact CE1-CD2 3.99Å; F84-Y219 HydrophobicContact CE1-CD2 3.99Å; F84-Y219 AromaticContact CE2-CD2 3.73Å; F84-Y219 HydrophobicContact CE2-CD2 3.73Å; F84-Y219 AromaticContact CE2-CE2 3.49Å; F84-Y219 HydrophobicContact CE2-CE2 3.49Å; F84-Y219 VanDerWaalsContact CE2-CE2 3.49Å; F84-Y219 HydrophobicContact CG-CD2 4.33Å; F84-Y219 HydrophobicContact CG-CE2 4.24Å; F84-Y219 AromaticContact CZ-CD2 3.72Å; F84-Y219 HydrophobicContact CZ-CD2 3.72Å; F84-Y219 AromaticContact CZ-CE2 3.99Å; F84-Y219 HydrophobicContact CZ-CE2 3.99Å; F84-I314 HydrophobicContact CB-CG2 4.07Å; F84-I314 HydrophobicContact CD1-CG2 4.19Å; F84-I314 HydrophobicContact CG-CG2 4.05Å; F84-C320 HydrophobicContact CD1-CB 3.45Å; F84-C320 VanDerWaalsContact CD1-CB 3.45Å; F84-C320 HydrophobicContact CE1-CB 3.59Å; F84-C320 HydrophobicContact CG-CB 4.06Å; F84-C320 HydrophobicContact CZ-CB 4.28Å; F84-C320 WeakPolarHBondContact CZ-O 3.46Å; F84-E322 HydrophobicContact CD2-CB 3.47Å; F84-E322 VanDerWaalsContact CD2-CB 3.47Å; F84-E322 HydrophobicContact CD2-CG 4.26Å; F84-E322 HydrophobicContact CE2-CB 3.58Å; F84-E322 PolarHBondContact N-OE2 2.76Å
85	R	88.9	Confident	91	Very high	95 Å²	95	37.8 Å²	37.8	36%	0.358	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-46.9	-175.7	-59.9	-170.6	-161.8	-155.1	5.7	113.5	F70 D71 D317	F70-R85 HydrophobicContact CD1-CG 3.91Å; F70-R85 HydrophobicContact CE1-CG 3.82Å; F70-R85 HydrophobicContact CZ-CG 4.22Å; D71-R85 IonicContact OD1-CZ 2.69Å; D71-R85 IonicContact OD1-NH1 3.36Å; D71-R85 PolarHBondContact OD1-NH1 3.37Å; R85-D317 IonicContact CZ-OD2 2.71Å; R85-D317 IonicContact NE-OD2 3.12Å; R85-D317 IonicContact NH2-OD2 2.65Å; R85-D317 PolarHBondContact NH2-OD2 3.02Å
86	N	92.3	Very high	91.5	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	37.9	178.8	67.7	-20.8	0	0	0	113	F84 Y88 E89 V313 I314 I315	F84-N86 VanDerWaalsContact C-N 3.3Å; F84-N86 PolarHBondContact O-N 3.34Å; F84-N86 VanDerWaalsContact O-N 3.16Å; N86-Y88 HydrophobicContact CB-CE1 3.99Å; N86-Y88 HydrophobicContact CB-CE2 4.15Å; N86-Y88 PolarHBondContact O-N 3.37Å; N86-E89 HydrophobicContact CB-CG 4.21Å; N86-E89 WeakPolarHBondContact O-CB 3.43Å; N86-E89 WeakPolarHBondContact O-CG 3.46Å; N86-E89 PolarHBondContact O-N 3.37Å; N86-V313 PolarHBondContact ND2-O 2.76Å; N86-I314 VanDerWaalsContact OD1-CA 3.29Å; N86-I314 WeakPolarHBondContact OD1-CA 3.36Å; N86-I315 PolarHBondContact OD1-N 3.46Å
87	H	90.8	Very high	91.9	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.056	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-22.4	173.4	74.2	96	0	0	0	114	V63 F84 E89 L90 S91 E322 A343	V63-H87 WeakPolarHBondContact CG1-NE2 3.35Å; F84-H87 HydrophobicContact CB-CB 4.48Å; F84-H87 VanDerWaalsContact O-CB 3.3Å; F84-H87 WeakPolarHBondContact O-CB 3.31Å; F84-H87 PolarHBondContact O-CD2 3.39Å; F84-H87 PolarHBondContact O-N 3.2Å; H87-E89 PolarHBondContact O-N 2.83Å; H87-L90 PolarHBondContact O-N 2.78Å; H87-S91 PolarHBondContact ND1-OG 3.33Å; H87-S91 PolarHBondContact O-N 3.45Å; H87-S91 PolarHBondContact O-OG 3.29Å; H87-E322 WeakPolarHBondContact CB-OE2 3.24Å; H87-E322 IonicContact CG-OE2 2.83Å; H87-A343 HydrophobicContact CB-CB 4.25Å; H87-A343 WeakPolarHBondContact ND1-CB 3.46Å
88	Y	92.1	Very high	92.3	Very high	75 Å²	75	33 Å²	33	29%	0.294	14%	0.144	S	C	.	.	H	α-helix	trans	-65.8	-16.3	175.8	58.1	-106	0	0	0	114.1	N86 L90 S91 R92 L95	N86-Y88 HydrophobicContact CB-CE1 3.99Å; N86-Y88 HydrophobicContact CB-CE2 4.15Å; N86-Y88 PolarHBondContact O-N 3.37Å; Y88-L90 PolarHBondContact O-N 3.49Å; Y88-S91 WeakPolarHBondContact CA-OG 3.37Å; Y88-S91 PolarHBondContact O-N 3.48Å; Y88-R92 VanDerWaalsContact O-CB 3.28Å; Y88-R92 WeakPolarHBondContact O-CB 3.48Å; Y88-R92 PolarHBondContact O-N 3.43Å; Y88-L95 HydrophobicContact CD2-CD1 3.53Å; Y88-L95 HydrophobicContact CE2-CD1 4.07Å
89	E	94.9	Very high	92.8	Very high	29 Å²	29	30.5 Å²	30.5	14%	0.136	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-31	174.2	-73.9	-64.3	155	0	0	113	N86 H87 L95 M96 N99 V310 V313 I314	N86-E89 HydrophobicContact CB-CG 4.21Å; N86-E89 WeakPolarHBondContact O-CB 3.43Å; N86-E89 WeakPolarHBondContact O-CG 3.46Å; N86-E89 PolarHBondContact O-N 3.37Å; H87-E89 PolarHBondContact O-N 2.83Å; E89-L95 CarbonylContact O-C 3.58Å; E89-M96 PolarHBondContact O-N 3.28Å; E89-N99 PolarHBondContact O-ND2 2.63Å; E89-N99 PolarHBondContact OE2-ND2 3.19Å; E89-V310 HydrophobicContact CB-CG1 4.46Å; E89-V313 HydrophobicContact CB-CG1 4.48Å; E89-V313 HydrophobicContact CG-CG1 3.81Å; E89-I314 HydrophobicContact CB-CG1 4.33Å
90	L	94.3	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-99.4	-31.2	174.8	-172.8	60.3	0	0	0	112.6	H87 Y88 M96 L307 V310 Y324 V341	H87-L90 PolarHBondContact O-N 2.78Å; Y88-L90 PolarHBondContact O-N 3.49Å; L90-M96 HydrophobicContact CD1-CG 4.39Å; L90-M96 WeakPolarHBondContact O-CB 2.94Å; L90-M96 WeakPolarHBondContact O-CG 3.49Å; L90-L307 HydrophobicContact CD2-CD2 3.78Å; L90-V310 HydrophobicContact CB-CG1 4.16Å; L90-V310 HydrophobicContact CB-CG2 4.27Å; L90-V310 HydrophobicContact CD1-CG1 4.11Å; L90-V310 HydrophobicContact CD1-CG2 4.3Å; L90-V310 HydrophobicContact CD2-CG2 4.3Å; L90-Y324 HydrophobicContact CB-CE1 4.4Å; L90-Y324 HydrophobicContact CD2-CD1 4.27Å; L90-Y324 HydrophobicContact CD2-CD2 4.42Å; L90-Y324 HydrophobicContact CD2-CE1 3.91Å; L90-Y324 HydrophobicContact CD2-CE2 4.07Å; L90-Y324 HydrophobicContact CD2-CG 4.48Å; L90-V341 HydrophobicContact CD1-CG2 4.41Å; L90-V341 HydrophobicContact CD2-CG1 4.07Å; L90-V341 HydrophobicContact CG-CB 4.2Å; L90-V341 HydrophobicContact CG-CG1 4Å; L90-V341 HydrophobicContact CG-CG2 4.34Å
91	S	92.4	Very high	93	Very high	27 Å²	27	29.3 Å²	29.3	19%	0.189	13%	0.129	C	C	.	.	H	α-helix	trans	-94.1	-21.4	-171.9	56.1	0	0	0	0	115.6	H87 Y88 V341	H87-S91 PolarHBondContact ND1-OG 3.33Å; H87-S91 PolarHBondContact O-N 3.45Å; H87-S91 PolarHBondContact O-OG 3.29Å; Y88-S91 WeakPolarHBondContact CA-OG 3.37Å; Y88-S91 PolarHBondContact O-N 3.48Å; S91-V341 WeakPolarHBondContact CA-O 3.49Å; S91-V341 VanDerWaalsContact CB-O 3.27Å; S91-V341 WeakPolarHBondContact CB-O 3.26Å
92	R	91.4	Very high	93.1	Very high	89 Å²	89	34.1 Å²	34.1	34%	0.336	15%	0.147	S	C	.	.	S	Bend	trans	-81.7	130.4	171.1	-72.4	-179.6	-177.3	-179.7	2	110.3	Y88 N94 L95 M96	Y88-R92 VanDerWaalsContact O-CB 3.28Å; Y88-R92 WeakPolarHBondContact O-CB 3.48Å; Y88-R92 PolarHBondContact O-N 3.43Å; R92-N94 VanDerWaalsContact C-N 3.34Å; R92-N94 PolarHBondContact O-N 3.39Å; R92-L95 HydrophobicContact CB-CB 4.39Å; R92-L95 HydrophobicContact CB-CD1 4.27Å; R92-L95 HydrophobicContact CB-CG 4.39Å; R92-L95 PolarHBondContact O-N 3.15Å; R92-L95 VanDerWaalsContact O-N 3.16Å; R92-M96 WeakPolarHBondContact O-CB 3.26Å; R92-M96 PolarHBondContact O-N 3.29Å
93	K	90.9	Very high	93.1	Very high	25 Å²	25	35.8 Å²	35.8	11%	0.109	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-43.4	-171.8	-61.7	-179.1	177.9	70.6	0	113.4	V97 K150 K154 V192 E340	K93-V97 VanDerWaalsContact O-CG2 3.24Å; K93-V97 WeakPolarHBondContact O-CG2 3.21Å; K93-V97 PolarHBondContact O-N 3.27Å; K93-K150 HydrophobicContact CD-CB 4.05Å; K93-K150 HydrophobicContact CD-CD 4.24Å; K93-K154 PolarHBondContact NZ-O 2.9Å; K93-V192 HydrophobicContact CB-CG2 4.02Å; K93-E340 IonicContact NZ-OE2 2.75Å
94	N	90	Very high	93.1	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.16	16%	0.164	C	C	.	.	H	α-helix	trans	-68.6	-44.1	179.2	62.2	-26.8	0	0	0	112.7	R92 K98 V127 V152 V192	R92-N94 VanDerWaalsContact C-N 3.34Å; R92-N94 PolarHBondContact O-N 3.39Å; N94-K98 WeakPolarHBondContact O-CB 3.35Å; N94-K98 PolarHBondContact O-N 3.49Å; N94-V127 HydrophobicContact CB-CG1 3.85Å; N94-V127 HydrophobicContact CB-CG2 3.78Å; N94-V152 HydrophobicContact CB-CG1 4.25Å; N94-V152 HydrophobicContact CB-CG2 3.93Å; N94-V152 VanDerWaalsContact CG-CG1 3.46Å; N94-V152 WeakPolarHBondContact OD1-CG1 3.36Å; N94-V192 HydrophobicContact CB-CG2 4.26Å
95	L	93.4	Very high	93.2	Very high	28 Å²	28	44.7 Å²	44.7	15%	0.147	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-42.5	-179.4	-64.2	178.1	0	0	0	111.2	Y88 E89 R92 V97 K98 N99	Y88-L95 HydrophobicContact CD2-CD1 3.53Å; Y88-L95 HydrophobicContact CE2-CD1 4.07Å; E89-L95 CarbonylContact O-C 3.58Å; R92-L95 HydrophobicContact CB-CB 4.39Å; R92-L95 HydrophobicContact CB-CD1 4.27Å; R92-L95 HydrophobicContact CB-CG 4.39Å; R92-L95 PolarHBondContact O-N 3.15Å; R92-L95 VanDerWaalsContact O-N 3.16Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 2.9Å; L95-K98 PolarHBondContact O-N 3.2Å; L95-N99 WeakPolarHBondContact O-CB 3.41Å; L95-N99 VanDerWaalsContact O-CG 3.27Å; L95-N99 PolarHBondContact O-N 2.96Å; L95-N99 PolarHBondContact O-ND2 3.44Å; L95-N99 VanDerWaalsContact O-ND2 3.12Å
96	M	94.6	Very high	93.4	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-53.1	-52.3	173.6	-174.8	-171.1	73	0	0	110.9	E89 L90 R92 K98 N99 L100 L338 V341	E89-M96 PolarHBondContact O-N 3.28Å; L90-M96 HydrophobicContact CD1-CG 4.39Å; L90-M96 WeakPolarHBondContact O-CB 2.94Å; L90-M96 WeakPolarHBondContact O-CG 3.49Å; R92-M96 WeakPolarHBondContact O-CB 3.26Å; R92-M96 PolarHBondContact O-N 3.29Å; M96-K98 PolarHBondContact O-N 3.23Å; M96-N99 PolarHBondContact O-N 3.08Å; M96-L100 HydrophobicContact CG-CD1 3.94Å; M96-L100 WeakPolarHBondContact O-CB 3.41Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.47Å; M96-L100 PolarHBondContact O-N 2.88Å; M96-L338 HydrophobicContact SD-CD2 4.14Å; M96-V341 HydrophobicContact SD-CG2 4Å
97	V	92.9	Very high	93.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-41.6	-179.9	172	0	0	0	0	111.4	K93 L95 N99 L100 K101 T125	K93-V97 VanDerWaalsContact O-CG2 3.24Å; K93-V97 WeakPolarHBondContact O-CG2 3.21Å; K93-V97 PolarHBondContact O-N 3.27Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 2.9Å; V97-N99 PolarHBondContact O-N 3.1Å; V97-L100 PolarHBondContact O-N 3.36Å; V97-K101 HydrophobicContact CG1-CD 4.05Å; V97-K101 HydrophobicContact CG1-CG 4.29Å; V97-K101 WeakPolarHBondContact O-CB 3.43Å; V97-K101 VanDerWaalsContact O-CG 3.31Å; V97-K101 WeakPolarHBondContact O-CG 3.32Å; V97-K101 PolarHBondContact O-N 3.02Å; V97-T125 HydrophobicContact CB-CG2 4.41Å; V97-T125 HydrophobicContact CG1-CG2 4.08Å; V97-T125 HydrophobicContact CG2-CG2 3.71Å
98	K	93.9	Very high	93.6	Very high	130 Å²	130	46.9 Å²	46.9	57%	0.565	21%	0.209	S	C	*	.	H	α-helix	trans	-60	-46	176.2	-177.8	-177.7	177.4	-176.6	0	111.4	N94 L95 M96 R102	N94-K98 WeakPolarHBondContact O-CB 3.35Å; N94-K98 PolarHBondContact O-N 3.49Å; L95-K98 PolarHBondContact O-N 3.2Å; M96-K98 PolarHBondContact O-N 3.23Å; K98-R102 WeakPolarHBondContact O-CB 3.44Å; K98-R102 PolarHBondContact O-N 2.79Å
99	N	95.8	Very high	93.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.011	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-43.5	-179.6	-72	-35.7	0	0	0	111.3	E89 L95 M96 V97 R102 Y103 V310	E89-N99 PolarHBondContact O-ND2 2.63Å; E89-N99 PolarHBondContact OE2-ND2 3.19Å; L95-N99 WeakPolarHBondContact O-CB 3.41Å; L95-N99 VanDerWaalsContact O-CG 3.27Å; L95-N99 PolarHBondContact O-N 2.96Å; L95-N99 PolarHBondContact O-ND2 3.44Å; L95-N99 VanDerWaalsContact O-ND2 3.12Å; M96-N99 PolarHBondContact O-N 3.08Å; V97-N99 PolarHBondContact O-N 3.1Å; N99-R102 PolarHBondContact O-N 3.42Å; N99-R102 PolarHBondContact OD1-NH2 2.84Å; N99-Y103 VanDerWaalsContact O-CB 3.3Å; N99-Y103 WeakPolarHBondContact O-CB 3.31Å; N99-Y103 PolarHBondContact O-N 2.78Å; N99-V310 HydrophobicContact CB-CG1 3.95Å
100	L	95.6	Very high	93.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-47.9	175	-73.6	170.5	0	0	0	112.5	M96 V97 R102 Y103 Q104 F121 F122 L338	M96-L100 HydrophobicContact CG-CD1 3.94Å; M96-L100 WeakPolarHBondContact O-CB 3.41Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.47Å; M96-L100 PolarHBondContact O-N 2.88Å; V97-L100 PolarHBondContact O-N 3.36Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.38Å; L100-Y103 PolarHBondContact O-N 2.91Å; L100-Q104 WeakPolarHBondContact O-CB 3.46Å; L100-Q104 PolarHBondContact O-N 3.44Å; L100-F121 HydrophobicContact CD1-CE2 4.44Å; L100-F121 HydrophobicContact CD2-CE2 4.07Å; L100-F121 HydrophobicContact CD2-CZ 3.89Å; L100-F122 HydrophobicContact CB-CD1 4.29Å; L100-F122 HydrophobicContact CB-CE1 3.86Å; L100-F122 HydrophobicContact CB-CZ 4.02Å; L100-F122 HydrophobicContact CD1-CB 4.42Å; L100-F122 HydrophobicContact CD1-CD1 3.93Å; L100-F122 HydrophobicContact CD1-CE1 4.35Å; L100-F122 HydrophobicContact CD1-CG 4.07Å; L100-L338 HydrophobicContact CD1-CD2 4.23Å
101	K	94.2	Very high	93.5	Very high	47 Å²	47	62 Å²	62	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-43.8	176	-76.4	180	179.8	179.6	0	111.5	V97 K105 F122 T125 E131	V97-K101 HydrophobicContact CG1-CD 4.05Å; V97-K101 HydrophobicContact CG1-CG 4.29Å; V97-K101 WeakPolarHBondContact O-CB 3.43Å; V97-K101 VanDerWaalsContact O-CG 3.31Å; V97-K101 WeakPolarHBondContact O-CG 3.32Å; V97-K101 PolarHBondContact O-N 3.02Å; K101-K105 WeakPolarHBondContact O-CG 3.39Å; K101-K105 PolarHBondContact O-N 3.05Å; K101-K105 VanDerWaalsContact O-N 3.08Å; K101-F122 HydrophobicContact CG-CE2 4.36Å; K101-F122 HydrophobicContact CG-CZ 4.34Å; K101-T125 WeakPolarHBondContact CE-O 3.21Å; K101-T125 PolarHBondContact NZ-O 3.02Å; K101-E131 IonicContact NZ-OE1 3.43Å; K101-E131 PolarHBondContact NZ-OE1 2.76Å; K101-E131 IonicContact NZ-OE2 2.64Å; K101-E131 PolarHBondContact NZ-OE2 2.99Å
102	R	95.1	Very high	93.5	Very high	102 Å²	102	61.9 Å²	61.9	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-45.4	176.9	-175.9	-178.7	63.5	-146	-16.2	111.1	K98 N99 L100 K105 N106	K98-R102 WeakPolarHBondContact O-CB 3.44Å; K98-R102 PolarHBondContact O-N 2.79Å; N99-R102 PolarHBondContact O-N 3.42Å; N99-R102 PolarHBondContact OD1-NH2 2.84Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.38Å; R102-K105 PolarHBondContact O-N 2.89Å; R102-N106 VanDerWaalsContact O-CG 3.27Å; R102-N106 PolarHBondContact O-N 2.74Å; R102-N106 PolarHBondContact O-OD1 2.89Å
103	Y	95.1	Very high	93.5	Very high	41 Å²	41	67 Å²	67	16%	0.161	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-45	178.9	-179.4	-109.3	0	0	0	112.1	N99 L100 K105 N106 L107 R305 Q308	N99-Y103 VanDerWaalsContact O-CB 3.3Å; N99-Y103 WeakPolarHBondContact O-CB 3.31Å; N99-Y103 PolarHBondContact O-N 2.78Å; L100-Y103 PolarHBondContact O-N 2.91Å; Y103-K105 PolarHBondContact O-N 2.96Å; Y103-N106 PolarHBondContact O-N 3.33Å; Y103-L107 HydrophobicContact CD1-CD1 3.92Å; Y103-L107 HydrophobicContact CD1-CG 4.49Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.07Å; Y103-L107 HydrophobicContact CE2-CD1 4.38Å; Y103-L107 HydrophobicContact CE2-CD2 4.46Å; Y103-L107 HydrophobicContact CE2-CG 4.26Å; Y103-L107 PolarHBondContact O-N 2.94Å; Y103-R305 HydrophobicContact CE1-CB 4.2Å; Y103-R305 HydrophobicContact CE1-CG 4.38Å; Y103-Q308 HydrophobicContact CE1-CB 4.5Å; Y103-Q308 HydrophobicContact CE2-CB 4.09Å; Y103-Q308 PolarHBondContact OH-OE1 2.94Å
104	Q	94.5	Very high	93.4	Very high	52 Å²	52	73.9 Å²	73.9	24%	0.243	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-46	175.3	-176.2	178.1	37.3	0	0	112.3	L100 N106 L107 E108 A116 C119	L100-Q104 WeakPolarHBondContact O-CB 3.46Å; L100-Q104 PolarHBondContact O-N 3.44Å; Q104-N106 VanDerWaalsContact C-N 3.31Å; Q104-N106 PolarHBondContact O-N 3.31Å; Q104-L107 PolarHBondContact O-N 2.89Å; Q104-E108 PolarHBondContact O-N 3.47Å; Q104-A116 HydrophobicContact CG-CB 4.17Å; Q104-A116 PolarHBondContact NE2-O 3.19Å; Q104-C119 HydrophobicContact CB-CB 4.05Å; Q104-C119 HydrophobicContact CG-CB 3.96Å
105	K	93.9	Very high	93.4	Very high	137 Å²	137	74.7 Å²	74.7	60%	0.596	34%	0.344	S	S	*	.	H	α-helix	trans	-62.6	-36.8	176.5	-75.2	-178.2	178	-174.9	0	112.7	K101 R102 Y103 K109	K101-K105 WeakPolarHBondContact O-CG 3.39Å; K101-K105 PolarHBondContact O-N 3.05Å; K101-K105 VanDerWaalsContact O-N 3.08Å; R102-K105 PolarHBondContact O-N 2.89Å; Y103-K105 PolarHBondContact O-N 2.96Å; K105-K109 WeakPolarHBondContact O-CG 3.24Å; K105-K109 PolarHBondContact O-N 3.05Å
106	N	93.8	Very high	93.3	Very high	64 Å²	64	73.5 Å²	73.5	34%	0.342	34%	0.338	S	S	.	.	H	α-helix	trans	-69.3	-43.2	177.1	-70.1	-2.8	0	0	0	111	R102 Y103 Q104 E108 K109 E110	R102-N106 VanDerWaalsContact O-CG 3.27Å; R102-N106 PolarHBondContact O-N 2.74Å; R102-N106 PolarHBondContact O-OD1 2.89Å; Y103-N106 PolarHBondContact O-N 3.33Å; Q104-N106 VanDerWaalsContact C-N 3.31Å; Q104-N106 PolarHBondContact O-N 3.31Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.02Å; N106-K109 PolarHBondContact O-N 3.46Å; N106-K109 VanDerWaalsContact O-N 3.17Å; N106-E110 WeakPolarHBondContact O-CB 3.34Å; N106-E110 WeakPolarHBondContact O-CG 3.46Å; N106-E110 PolarHBondContact O-N 2.73Å
107	L	92.9	Very high	93.1	Very high	15 Å²	15	76.7 Å²	76.7	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-40.5	174.4	-75.9	178.7	0	0	0	112.6	Y103 Q104 K109 E110 V111 G112 E115 A116	Y103-L107 HydrophobicContact CD1-CD1 3.92Å; Y103-L107 HydrophobicContact CD1-CG 4.49Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.07Å; Y103-L107 HydrophobicContact CE2-CD1 4.38Å; Y103-L107 HydrophobicContact CE2-CD2 4.46Å; Y103-L107 HydrophobicContact CE2-CG 4.26Å; Y103-L107 PolarHBondContact O-N 2.94Å; Q104-L107 PolarHBondContact O-N 2.89Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 PolarHBondContact O-N 2.89Å; L107-E110 PolarHBondContact O-N 2.98Å; L107-V111 HydrophobicContact CD2-CG2 4.36Å; L107-V111 PolarHBondContact O-N 3.3Å; L107-G112 PolarHBondContact O-N 3.29Å; L107-E115 HydrophobicContact CD2-CG 4.44Å; L107-A116 HydrophobicContact CB-CB 4.33Å
108	E	93.8	Very high	93	Very high	84 Å²	84	81.4 Å²	81.4	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-35.6	177.4	-171.3	170.7	-156.7	0	0	111.8	Q104 N106 G112 R113 A116	Q104-E108 PolarHBondContact O-N 3.47Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.02Å; E108-G112 WeakPolarHBondContact O-CA 3.32Å; E108-G112 PolarHBondContact O-N 3.48Å; E108-R113 IonicContact OE1-NE 3.79Å; E108-R113 PolarHBondContact OE1-NE 3.48Å; E108-A116 HydrophobicContact CB-CB 3.76Å; E108-A116 HydrophobicContact CG-CB 4.43Å
109	K	93.7	Very high	92.9	Very high	177 Å²	177	75.3 Å²	75.3	77%	0.77	36%	0.355	S	S	*	.	H	α-helix	trans	-77.2	-40.4	177.2	-70.3	176.3	-179.7	-174.2	0	113.6	K105 N106 L107	K105-K109 WeakPolarHBondContact O-CG 3.24Å; K105-K109 PolarHBondContact O-N 3.05Å; N106-K109 PolarHBondContact O-N 3.46Å; N106-K109 VanDerWaalsContact O-N 3.17Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 PolarHBondContact O-N 2.89Å
110	E	93.3	Very high	92.7	Very high	144 Å²	144	79.2 Å²	79.2	67%	0.673	38%	0.376	S	S	*	.	H	α-helix	trans	-86.9	-38.5	-171.8	-70.7	176.2	-173.4	0	0	113.1	N106 L107	N106-E110 WeakPolarHBondContact O-CB 3.34Å; N106-E110 WeakPolarHBondContact O-CG 3.46Å; N106-E110 PolarHBondContact O-N 2.73Å; L107-E110 PolarHBondContact O-N 2.98Å
111	V	92.3	Very high	92.7	Very high	101 Å²	101	79.5 Å²	79.5	61%	0.612	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-35.9	-171.7	-171.6	0	0	0	0	111.7	L107 E115	L107-V111 HydrophobicContact CD2-CG2 4.36Å; L107-V111 PolarHBondContact O-N 3.3Å; V111-E115 HydrophobicContact CB-CB 4.1Å; V111-E115 HydrophobicContact CB-CG 4.27Å; V111-E115 HydrophobicContact CG1-CB 3.77Å; V111-E115 HydrophobicContact CG1-CG 3.96Å
112	G	92.5	Very high	92.7	Very high	24 Å²	24	78.1 Å²	78.1	25%	0.247	37%	0.371	C	S	.	.			trans	123.5	176.4	176.6	0	0	0	0	0	114	L107 E108 E114 E115 A116	L107-G112 PolarHBondContact O-N 3.29Å; E108-G112 WeakPolarHBondContact O-CA 3.32Å; E108-G112 PolarHBondContact O-N 3.48Å; G112-E114 PolarHBondContact O-N 3.28Å; G112-E115 PolarHBondContact O-N 2.8Å; G112-A116 PolarHBondContact O-N 3.05Å
113	R	90.9	Very high	92.6	Very high	196 Å²	196	73.5 Å²	73.5	74%	0.74	35%	0.354	S	S	*	.	H	α-helix	trans	-67.2	-36.2	-169.6	-170	176	-119.4	-166.6	-6.1	114.2	E108 E115 A116 S117	E108-R113 IonicContact OE1-NE 3.79Å; E108-R113 PolarHBondContact OE1-NE 3.48Å; R113-E115 VanDerWaalsContact C-N 3.35Å; R113-E115 PolarHBondContact O-N 3.13Å; R113-A116 PolarHBondContact O-N 2.78Å; R113-S117 PolarHBondContact O-N 3.47Å
114	E	89.4	Confident	92.5	Very high	170 Å²	170	73.4 Å²	73.4	79%	0.794	36%	0.359	S	S	*	.	H	α-helix	trans	-60	-45.2	176.9	-94	-171.4	153.8	0	0	111.6	G112 S117	G112-E114 PolarHBondContact O-N 3.28Å; E114-S117 WeakPolarHBondContact O-CB 3.43Å; E114-S117 PolarHBondContact O-N 3.43Å; E114-S117 PolarHBondContact O-OG 2.98Å
115	E	89.4	Confident	92.4	Very high	47 Å²	47	71 Å²	71	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-68.7	-38.2	178.9	-169.4	60.5	-156.7	0	0	111.7	L107 V111 G112 R113 S117 K118 R305	L107-E115 HydrophobicContact CD2-CG 4.44Å; V111-E115 HydrophobicContact CB-CB 4.1Å; V111-E115 HydrophobicContact CB-CG 4.27Å; V111-E115 HydrophobicContact CG1-CB 3.77Å; V111-E115 HydrophobicContact CG1-CG 3.96Å; G112-E115 PolarHBondContact O-N 2.8Å; R113-E115 VanDerWaalsContact C-N 3.35Å; R113-E115 PolarHBondContact O-N 3.13Å; E115-S117 VanDerWaalsContact C-N 3.28Å; E115-S117 PolarHBondContact O-N 3.14Å; E115-K118 WeakPolarHBondContact O-CB 3.28Å; E115-K118 PolarHBondContact O-N 3.44Å; E115-K118 WeakPolarHBondContact OE2-CD 3.48Å; E115-K118 WeakPolarHBondContact OE2-CE 3.39Å; E115-K118 IonicContact OE2-NZ 3.67Å; E115-K118 PolarHBondContact OE2-NZ 3.34Å; E115-R305 IonicContact OE1-CZ 2.76Å; E115-R305 IonicContact OE1-NH1 3.5Å; E115-R305 PolarHBondContact OE1-NH1 3.39Å; E115-R305 IonicContact OE1-NH2 3.65Å; E115-R305 PolarHBondContact OE1-NH2 3.36Å
116	A	90.8	Very high	92.3	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-29.2	174.7	0	0	0	0	0	113.2	Q104 L107 E108 G112 R113 K118 C119	Q104-A116 HydrophobicContact CG-CB 4.17Å; Q104-A116 PolarHBondContact NE2-O 3.19Å; L107-A116 HydrophobicContact CB-CB 4.33Å; E108-A116 HydrophobicContact CB-CB 3.76Å; E108-A116 HydrophobicContact CG-CB 4.43Å; G112-A116 PolarHBondContact O-N 3.05Å; R113-A116 PolarHBondContact O-N 2.78Å; A116-K118 PolarHBondContact O-N 3.11Å; A116-C119 VanDerWaalsContact O-CB 3.3Å; A116-C119 WeakPolarHBondContact O-CB 3.44Å; A116-C119 PolarHBondContact O-N 3.44Å
117	S	91.1	Very high	92.2	Very high	71 Å²	71	63.3 Å²	63.3	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-25.6	175.8	79.4	0	0	0	0	112.5	R113 E114 E115 C119 D120	R113-S117 PolarHBondContact O-N 3.47Å; E114-S117 WeakPolarHBondContact O-CB 3.43Å; E114-S117 PolarHBondContact O-N 3.43Å; E114-S117 PolarHBondContact O-OG 2.98Å; E115-S117 VanDerWaalsContact C-N 3.28Å; E115-S117 PolarHBondContact O-N 3.14Å; S117-C119 PolarHBondContact O-N 3.46Å; S117-C119 VanDerWaalsContact O-N 3.12Å; S117-D120 VanDerWaalsContact O-CB 3.25Å; S117-D120 WeakPolarHBondContact O-CB 3.45Å; S117-D120 PolarHBondContact O-N 2.96Å
118	K	90.5	Very high	91.9	Very high	101 Å²	101	63.4 Å²	63.4	44%	0.439	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.2	173.4	-60.1	174.9	-175.3	166.1	0	112.5	E115 A116 F121 N301 R305	E115-K118 WeakPolarHBondContact O-CB 3.28Å; E115-K118 PolarHBondContact O-N 3.44Å; E115-K118 WeakPolarHBondContact OE2-CD 3.48Å; E115-K118 WeakPolarHBondContact OE2-CE 3.39Å; E115-K118 IonicContact OE2-NZ 3.67Å; E115-K118 PolarHBondContact OE2-NZ 3.34Å; A116-K118 PolarHBondContact O-N 3.11Å; K118-F121 VanDerWaalsContact O-CD1 3.31Å; K118-F121 WeakPolarHBondContact O-CD1 3.38Å; K118-N301 PolarHBondContact O-ND2 3.45Å; K118-R305 VanDerWaalsContact CB-CZ 3.48Å
119	C	91.4	Very high	91.6	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.007	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-1	169	-63.9	0	0	0	0	113.8	Q104 A116 S117 F121 F122 R305	Q104-C119 HydrophobicContact CB-CB 4.05Å; Q104-C119 HydrophobicContact CG-CB 3.96Å; A116-C119 VanDerWaalsContact O-CB 3.3Å; A116-C119 WeakPolarHBondContact O-CB 3.44Å; A116-C119 PolarHBondContact O-N 3.44Å; S117-C119 PolarHBondContact O-N 3.46Å; S117-C119 VanDerWaalsContact O-N 3.12Å; C119-F121 HydrophobicContact CB-CE1 4.29Å; C119-F121 PolarHBondContact O-N 2.69Å; C119-F122 WeakPolarHBondContact O-CD1 3.36Å; C119-F122 VanDerWaalsContact O-CE1 3.28Å; C119-F122 WeakPolarHBondContact O-CE1 3.45Å; C119-R305 VanDerWaalsContact SG-CD 3.58Å
120	D	92.8	Very high	91.2	Very high	84 Å²	84	59.6 Å²	59.6	45%	0.449	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	59.7	178.6	-176.4	40.9	0	0	0	112.1	S117 K335	S117-D120 VanDerWaalsContact O-CB 3.25Å; S117-D120 WeakPolarHBondContact O-CB 3.45Å; S117-D120 PolarHBondContact O-N 2.96Å; D120-K335 WeakPolarHBondContact O-CE 3.26Å; D120-K335 PolarHBondContact O-NZ 2.9Å; D120-K335 IonicContact OD1-NZ 3.77Å; D120-K335 IonicContact OD2-NZ 2.99Å; D120-K335 PolarHBondContact OD2-NZ 3.49Å
121	F	94.8	Very high	91	Very high	8 Å²	8	55 Å²	55	4%	0.035	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	3.4	-178.4	59.3	-111.7	0	0	0	113.2	L100 K118 C119 I302 R305 W337 L338	L100-F121 HydrophobicContact CD1-CE2 4.44Å; L100-F121 HydrophobicContact CD2-CE2 4.07Å; L100-F121 HydrophobicContact CD2-CZ 3.89Å; K118-F121 VanDerWaalsContact O-CD1 3.31Å; K118-F121 WeakPolarHBondContact O-CD1 3.38Å; C119-F121 HydrophobicContact CB-CE1 4.29Å; C119-F121 PolarHBondContact O-N 2.69Å; F121-I302 HydrophobicContact CB-CD1 3.94Å; F121-I302 HydrophobicContact CB-CG1 3.6Å; F121-I302 HydrophobicContact CD1-CG1 4.04Å; F121-I302 HydrophobicContact CD2-CB 4.31Å; F121-I302 HydrophobicContact CD2-CG1 3.86Å; F121-I302 HydrophobicContact CD2-CG2 3.94Å; F121-I302 HydrophobicContact CE2-CG2 4.06Å; F121-I302 HydrophobicContact CG-CB 4.39Å; F121-I302 HydrophobicContact CG-CD1 4.38Å; F121-I302 HydrophobicContact CG-CG1 3.58Å; F121-R305 HydrophobicContact CE1-CB 3.77Å; F121-R305 HydrophobicContact CE1-CG 4.47Å; F121-R305 HydrophobicContact CZ-CB 3.92Å; F121-W337 CarbonylContact O-C 3.57Å; F121-W337 VanDerWaalsContact O-CA 3.26Å; F121-W337 WeakPolarHBondContact O-CA 3.32Å; F121-L338 HydrophobicContact CD2-CB 3.91Å; F121-L338 HydrophobicContact CD2-CD2 4.38Å; F121-L338 HydrophobicContact CE2-CB 4.32Å; F121-L338 HydrophobicContact CE2-CD2 3.94Å; F121-L338 PolarHBondContact O-N 3.49Å
122	F	94.8	Very high	90.8	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.079	28%	0.284	C	S	.	.	S	Bend	trans	-120.9	139.8	174	62.7	-83.3	0	0	0	109	L100 K101 C119	L100-F122 HydrophobicContact CB-CD1 4.29Å; L100-F122 HydrophobicContact CB-CE1 3.86Å; L100-F122 HydrophobicContact CB-CZ 4.02Å; L100-F122 HydrophobicContact CD1-CB 4.42Å; L100-F122 HydrophobicContact CD1-CD1 3.93Å; L100-F122 HydrophobicContact CD1-CE1 4.35Å; L100-F122 HydrophobicContact CD1-CG 4.07Å; K101-F122 HydrophobicContact CG-CE2 4.36Å; K101-F122 HydrophobicContact CG-CZ 4.34Å; C119-F122 WeakPolarHBondContact O-CD1 3.36Å; C119-F122 VanDerWaalsContact O-CE1 3.28Å; C119-F122 WeakPolarHBondContact O-CE1 3.45Å
123	P	93.1	Very high	90.6	Very high	4 Å²	4	61.1 Å²	61.1	3%	0.026	31%	0.307	C	S	.	.			trans	-63.6	154.5	-177	-19.8	31	0	0	0	111.9	T125 Q194 R195 I197 W337 L338 I339	P123-T125 WeakPolarHBondContact O-CB 3.36Å; P123-T125 PolarHBondContact O-N 3.02Å; P123-T125 VanDerWaalsContact O-N 3.13Å; P123-T125 PolarHBondContact O-OG1 3.23Å; P123-Q194 HydrophobicContact CB-CG 3.75Å; P123-Q194 HydrophobicContact CG-CG 4.25Å; P123-R195 WeakPolarHBondContact CB-O 3.15Å; P123-I197 HydrophobicContact CG-CD1 3.95Å; P123-I197 HydrophobicContact CG-CG1 4.34Å; P123-W337 HydrophobicContact CG-CE3 4.16Å; P123-L338 WeakPolarHBondContact CD-O 3.36Å; P123-I339 HydrophobicContact CG-CD1 4.42Å
124	C	92.1	Very high	90.6	Very high	39 Å²	39	56 Å²	56	26%	0.264	29%	0.294	S	S	.	.			trans	-54.4	122.9	174.9	-172.1	0	0	0	0	109.5	F126 Q194 R195	C124-F126 VanDerWaalsContact SG-CE2 3.5Å; C124-Q194 CarbonylContact O-C 3.53Å; C124-Q194 WeakPolarHBondContact O-CA 3.15Å; C124-R195 HydrophobicContact CB-CB 4.15Å; C124-R195 PolarHBondContact O-N 2.85Å
125	T	93.4	Very high	90.6	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.4	-167.2	-58.3	0	0	0	0	110.9	V97 K101 P123 V192 A193 Q194	V97-T125 HydrophobicContact CB-CG2 4.41Å; V97-T125 HydrophobicContact CG1-CG2 4.08Å; V97-T125 HydrophobicContact CG2-CG2 3.71Å; K101-T125 WeakPolarHBondContact CE-O 3.21Å; K101-T125 PolarHBondContact NZ-O 3.02Å; P123-T125 WeakPolarHBondContact O-CB 3.36Å; P123-T125 PolarHBondContact O-N 3.02Å; P123-T125 VanDerWaalsContact O-N 3.13Å; P123-T125 PolarHBondContact O-OG1 3.23Å; T125-V192 HydrophobicContact CG2-CG1 3.02Å; T125-A193 CarbonylContact C-O 3.53Å; T125-A193 WeakPolarHBondContact CA-O 3.47Å; T125-Q194 HydrophobicContact CG2-CB 4.13Å; T125-Q194 WeakPolarHBondContact OG1-CG 3.3Å; T125-Q194 PolarHBondContact OG1-NE2 2.95Å
126	F	92.3	Very high	90.5	Very high	19 Å²	19	47.2 Å²	47.2	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140	179	-61.1	-81.7	0	0	0	111.5	C124 E131 L134 F135 E138 W147 V192 A193	C124-F126 VanDerWaalsContact SG-CE2 3.5Å; F126-E131 VanDerWaalsContact CA-OE2 3.23Å; F126-E131 WeakPolarHBondContact CA-OE2 3.38Å; F126-E131 HydrophobicContact CB-CB 4.17Å; F126-E131 HydrophobicContact CD1-CB 4.14Å; F126-L134 HydrophobicContact CD1-CB 4.08Å; F126-L134 HydrophobicContact CE1-CB 3.83Å; F126-F135 HydrophobicContact CB-CB 3.91Å; F126-F135 HydrophobicContact CD1-CB 4.4Å; F126-F135 HydrophobicContact CD2-CB 3.96Å; F126-F135 AromaticContact CD2-CD2 3.92Å; F126-F135 HydrophobicContact CD2-CD2 3.92Å; F126-F135 HydrophobicContact CD2-CG 4.43Å; F126-F135 HydrophobicContact CG-CB 3.84Å; F126-E138 HydrophobicContact CE2-CB 3.94Å; F126-E138 HydrophobicContact CE2-CG 4.03Å; F126-E138 HydrophobicContact CZ-CB 3.82Å; F126-E138 HydrophobicContact CZ-CG 4.05Å; F126-W147 HydrophobicContact CD2-CH2 4.22Å; F126-W147 AromaticContact CD2-CZ3 3.96Å; F126-W147 HydrophobicContact CD2-CZ3 3.96Å; F126-W147 AromaticContact CE2-CH2 3.87Å; F126-W147 HydrophobicContact CE2-CH2 3.87Å; F126-W147 HydrophobicContact CE2-CZ3 4.07Å; F126-V192 CarbonylContact O-C 3.53Å; F126-V192 WeakPolarHBondContact O-CA 3.08Å; F126-A193 PolarHBondContact N-O 2.79Å; F126-A193 PolarHBondContact O-N 2.76Å
127	V	90.7	Very high	90.5	Very high	22 Å²	22	51.5 Å²	51.5	13%	0.133	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.9	177.5	-175.7	0	0	0	0	109.3	N94 S130 E131	N94-V127 HydrophobicContact CB-CG1 3.85Å; N94-V127 HydrophobicContact CB-CG2 3.78Å; V127-S130 PolarHBondContact O-N 3.03Å; V127-E131 PolarHBondContact N-OE2 2.97Å; V127-E131 WeakPolarHBondContact O-CB 3.47Å; V127-E131 PolarHBondContact O-N 2.78Å
128	L	87.6	Confident	90.4	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.7	179.5	-59.6	-176.3	0	0	0	110.7	Y132 F135 M149 Y191 A193	L128-Y132 HydrophobicContact CD2-CD2 4.06Å; L128-F135 HydrophobicContact CD2-CB 4.28Å; L128-F135 HydrophobicContact CD2-CD1 4.38Å; L128-M149 HydrophobicContact CD1-CE 3.72Å; L128-M149 HydrophobicContact CD1-SD 3.98Å; L128-Y191 PolarHBondContact N-O 2.83Å; L128-Y191 PolarHBondContact O-N 3.33Å; L128-A193 HydrophobicContact CD1-CB 3.98Å; L128-A193 HydrophobicContact CG-CB 4.35Å
129	P	85.8	Confident	90.2	Very high	77 Å²	77	46.4 Å²	46.4	50%	0.5	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.8	-9.2	8	32.9	-35.5	0	0	0	115.7	E131 Y132	P129-E131 PolarHBondContact O-N 3.19Å; P129-Y132 WeakPolarHBondContact O-CB 3.19Å; P129-Y132 PolarHBondContact O-N 3.23Å
130	S	86.3	Confident	90	Very high	104 Å²	104	51.3 Å²	51.3	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.9	-169	-52.7	0	0	0	0	115.3	V127	V127-S130 PolarHBondContact O-N 3.03Å
131	E	89.4	Confident	89.8	Confident	47 Å²	47	54.7 Å²	54.7	22%	0.22	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	22.2	-178.7	-60.3	-175.9	132.5	0	0	112.3	K101 F126 V127 P129 H133 L134 F135	K101-E131 IonicContact NZ-OE1 3.43Å; K101-E131 PolarHBondContact NZ-OE1 2.76Å; K101-E131 IonicContact NZ-OE2 2.64Å; K101-E131 PolarHBondContact NZ-OE2 2.99Å; F126-E131 VanDerWaalsContact CA-OE2 3.23Å; F126-E131 WeakPolarHBondContact CA-OE2 3.38Å; F126-E131 HydrophobicContact CB-CB 4.17Å; F126-E131 HydrophobicContact CD1-CB 4.14Å; V127-E131 PolarHBondContact N-OE2 2.97Å; V127-E131 WeakPolarHBondContact O-CB 3.47Å; V127-E131 PolarHBondContact O-N 2.78Å; P129-E131 PolarHBondContact O-N 3.19Å; E131-H133 PolarHBondContact O-N 2.99Å; E131-L134 HydrophobicContact CB-CD1 4.42Å; E131-L134 HydrophobicContact CG-CD1 4.46Å; E131-L134 PolarHBondContact O-N 3.32Å; E131-F135 WeakPolarHBondContact O-CB 3.37Å; E131-F135 PolarHBondContact O-N 3.18Å
132	Y	87.2	Confident	89.3	Confident	94 Å²	94	57.4 Å²	57.4	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-57.3	-44.3	-175.3	-178	-100.2	0	0	0	113.4	L128 P129 L134 F135 V136	L128-Y132 HydrophobicContact CD2-CD2 4.06Å; P129-Y132 WeakPolarHBondContact O-CB 3.19Å; P129-Y132 PolarHBondContact O-N 3.23Å; Y132-L134 PolarHBondContact O-N 2.72Å; Y132-F135 HydrophobicContact CD2-CD1 4.39Å; Y132-F135 WeakPolarHBondContact O-CB 3.39Å; Y132-F135 PolarHBondContact O-N 3.45Å; Y132-V136 HydrophobicContact CD1-CG2 4.11Å; Y132-V136 HydrophobicContact CD2-CG2 4.47Å; Y132-V136 HydrophobicContact CE1-CG2 3.65Å; Y132-V136 HydrophobicContact CE2-CG2 4.05Å; Y132-V136 WeakPolarHBondContact O-CG2 3.46Å; Y132-V136 PolarHBondContact O-N 3.15Å
133	H	88.4	Confident	88.6	Confident	159 Å²	159	61.9 Å²	61.9	74%	0.736	32%	0.322	S	S	*	.	H	α-helix	trans	-63.5	-42.4	179.9	-64.6	-70.2	0	0	0	112.5	E131 F135 V136 E137	E131-H133 PolarHBondContact O-N 2.99Å; H133-F135 VanDerWaalsContact C-N 3.32Å; H133-F135 PolarHBondContact O-N 3.34Å; H133-V136 PolarHBondContact O-N 3.16Å; H133-E137 PolarHBondContact O-N 3.47Å
134	L	90.8	Very high	87.7	Confident	90 Å²	90	63.8 Å²	63.8	47%	0.471	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-39.2	176.4	-62.8	173.7	0	0	0	111.3	F126 E131 Y132 E137 E138	F126-L134 HydrophobicContact CD1-CB 4.08Å; F126-L134 HydrophobicContact CE1-CB 3.83Å; E131-L134 HydrophobicContact CB-CD1 4.42Å; E131-L134 HydrophobicContact CG-CD1 4.46Å; E131-L134 PolarHBondContact O-N 3.32Å; Y132-L134 PolarHBondContact O-N 2.72Å; L134-E137 PolarHBondContact O-N 2.83Å; L134-E138 PolarHBondContact O-N 2.98Å; L134-E138 VanDerWaalsContact O-N 3.07Å
135	F	90.1	Very high	87.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-47.5	175	163.6	-110.4	0	0	0	111.8	F126 L128 E131 Y132 H133 E137 E138 F139 W147 F163 L166 I169 A193	F126-F135 HydrophobicContact CB-CB 3.91Å; F126-F135 HydrophobicContact CD1-CB 4.4Å; F126-F135 HydrophobicContact CD2-CB 3.96Å; F126-F135 AromaticContact CD2-CD2 3.92Å; F126-F135 HydrophobicContact CD2-CD2 3.92Å; F126-F135 HydrophobicContact CD2-CG 4.43Å; F126-F135 HydrophobicContact CG-CB 3.84Å; L128-F135 HydrophobicContact CD2-CB 4.28Å; L128-F135 HydrophobicContact CD2-CD1 4.38Å; E131-F135 WeakPolarHBondContact O-CB 3.37Å; E131-F135 PolarHBondContact O-N 3.18Å; Y132-F135 HydrophobicContact CD2-CD1 4.39Å; Y132-F135 WeakPolarHBondContact O-CB 3.39Å; Y132-F135 PolarHBondContact O-N 3.45Å; H133-F135 VanDerWaalsContact C-N 3.32Å; H133-F135 PolarHBondContact O-N 3.34Å; F135-E137 VanDerWaalsContact C-N 3.32Å; F135-E137 PolarHBondContact O-N 3.06Å; F135-E138 PolarHBondContact O-N 3.27Å; F135-F139 HydrophobicContact CE2-CB 4.35Å; F135-F139 HydrophobicContact CE2-CD2 4.08Å; F135-F139 HydrophobicContact CZ-CB 4.43Å; F135-F139 AromaticContact CZ-CD2 3.87Å; F135-F139 HydrophobicContact CZ-CD2 3.87Å; F135-F139 HydrophobicContact CZ-CG 4.43Å; F135-F139 VanDerWaalsContact O-CB 3.22Å; F135-F139 WeakPolarHBondContact O-CB 3.4Å; F135-F139 PolarHBondContact O-N 3.33Å; F135-W147 HydrophobicContact CD2-CE3 4.23Å; F135-W147 HydrophobicContact CD2-CH2 4.34Å; F135-W147 HydrophobicContact CD2-CZ3 4.08Å; F135-W147 AromaticContact CE2-CD2 3.83Å; F135-W147 HydrophobicContact CE2-CD2 3.83Å; F135-W147 AromaticContact CE2-CE3 3.74Å; F135-W147 HydrophobicContact CE2-CE3 3.74Å; F135-W147 HydrophobicContact CE2-CG 4.38Å; F135-W147 HydrophobicContact CE2-CH2 4.36Å; F135-W147 HydrophobicContact CE2-CZ2 4.41Å; F135-W147 HydrophobicContact CE2-CZ3 4.03Å; F135-F163 HydrophobicContact CE2-CE2 4.41Å; F135-F163 HydrophobicContact CE2-CZ 4.17Å; F135-F163 AromaticContact CZ-CE2 3.72Å; F135-F163 HydrophobicContact CZ-CE2 3.72Å; F135-F163 AromaticContact CZ-CZ 3.69Å; F135-F163 HydrophobicContact CZ-CZ 3.69Å; F135-L166 HydrophobicContact CE1-CD2 3.69Å; F135-L166 HydrophobicContact CZ-CD2 4.15Å; F135-I169 HydrophobicContact CE1-CD1 3.81Å; F135-I169 HydrophobicContact CZ-CD1 4Å; F135-A193 HydrophobicContact CD2-CB 4.03Å; F135-A193 HydrophobicContact CE2-CB 4Å; F135-A193 HydrophobicContact CG-CB 4.49Å; F135-A193 HydrophobicContact CZ-CB 4.44Å
136	V	87.6	Confident	87.1	Confident	31 Å²	31	63.1 Å²	63.1	19%	0.188	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-39.4	179.3	171.3	0	0	0	0	111.4	Y132 H133 F139 N140 L166	Y132-V136 HydrophobicContact CD1-CG2 4.11Å; Y132-V136 HydrophobicContact CD2-CG2 4.47Å; Y132-V136 HydrophobicContact CE1-CG2 3.65Å; Y132-V136 HydrophobicContact CE2-CG2 4.05Å; Y132-V136 WeakPolarHBondContact O-CG2 3.46Å; Y132-V136 PolarHBondContact O-N 3.15Å; H133-V136 PolarHBondContact O-N 3.16Å; V136-F139 PolarHBondContact O-N 3.05Å; V136-N140 WeakPolarHBondContact O-CB 3.24Å; V136-N140 PolarHBondContact O-N 3.16Å; V136-N140 PolarHBondContact O-ND2 2.78Å; V136-L166 HydrophobicContact CG1-CD1 4.46Å; V136-L166 HydrophobicContact CG2-CD2 4.37Å
137	E	90	Very high	86.9	Confident	94 Å²	94	62.2 Å²	62.2	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-48.1	176.1	-166.5	-176.5	177.1	0	0	111.5	H133 L134 F135 F139 N140 R141	H133-E137 PolarHBondContact O-N 3.47Å; L134-E137 PolarHBondContact O-N 2.83Å; F135-E137 VanDerWaalsContact C-N 3.32Å; F135-E137 PolarHBondContact O-N 3.06Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.12Å; E137-N140 PolarHBondContact O-N 2.87Å; E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 3.11Å; E137-R141 IonicContact OE1-CZ 2.72Å; E137-R141 IonicContact OE1-NE 3.97Å; E137-R141 IonicContact OE1-NH2 3.49Å; E137-R141 PolarHBondContact OE1-NH2 3.3Å
138	E	89.5	Confident	86.8	Confident	47 Å²	47	61.6 Å²	61.6	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-35.5	178.4	-170.6	61.2	-162.5	0	0	112.7	F126 L134 F135 R141 N142 W147	F126-E138 HydrophobicContact CE2-CB 3.94Å; F126-E138 HydrophobicContact CE2-CG 4.03Å; F126-E138 HydrophobicContact CZ-CB 3.82Å; F126-E138 HydrophobicContact CZ-CG 4.05Å; L134-E138 PolarHBondContact O-N 2.98Å; L134-E138 VanDerWaalsContact O-N 3.07Å; F135-E138 PolarHBondContact O-N 3.27Å; E138-R141 PolarHBondContact O-N 3.33Å; E138-R141 IonicContact OE2-NH1 2.66Å; E138-N142 PolarHBondContact O-N 2.99Å; E138-N142 PolarHBondContact O-ND2 2.91Å; E138-N142 PolarHBondContact OE1-ND2 3.1Å; E138-N142 VanDerWaalsContact OE1-ND2 3.1Å; E138-W147 HydrophobicContact CG-CH2 4.2Å; E138-W147 HydrophobicContact CG-CZ2 4.44Å
139	F	87	Confident	86.7	Confident	19 Å²	19	61 Å²	61	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-43.1	174.8	-173.8	-82.5	0	0	0	111.3	F135 V136 E137 R141 N142 W147 F163 R164 L166	F135-F139 HydrophobicContact CE2-CB 4.35Å; F135-F139 HydrophobicContact CE2-CD2 4.08Å; F135-F139 HydrophobicContact CZ-CB 4.43Å; F135-F139 AromaticContact CZ-CD2 3.87Å; F135-F139 HydrophobicContact CZ-CD2 3.87Å; F135-F139 HydrophobicContact CZ-CG 4.43Å; F135-F139 VanDerWaalsContact O-CB 3.22Å; F135-F139 WeakPolarHBondContact O-CB 3.4Å; F135-F139 PolarHBondContact O-N 3.33Å; V136-F139 PolarHBondContact O-N 3.05Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.12Å; F139-R141 VanDerWaalsContact C-N 3.35Å; F139-N142 CarbonylContact O-C 3.54Å; F139-N142 PolarHBondContact O-N 2.91Å; F139-W147 AromaticContact CD2-CD1 3.65Å; F139-W147 HydrophobicContact CD2-CG 4.39Å; F139-W147 AromaticContact CD2-NE1 3.42Å; F139-W147 AromaticContact CE2-CD1 3.65Å; F139-W147 AromaticContact CE2-NE1 3.84Å; F139-F163 HydrophobicContact CD2-CE2 4.37Å; F139-F163 HydrophobicContact CE2-CD2 4.3Å; F139-F163 AromaticContact CE2-CE2 3.94Å; F139-F163 HydrophobicContact CE2-CE2 3.94Å; F139-R164 VanDerWaalsContact CZ-O 3.27Å; F139-R164 WeakPolarHBondContact CZ-O 3.37Å; F139-L166 HydrophobicContact CD1-CD1 3.74Å; F139-L166 HydrophobicContact CD1-CD2 4.31Å; F139-L166 HydrophobicContact CD1-CG 3.74Å; F139-L166 HydrophobicContact CE1-CD1 3.94Å; F139-L166 HydrophobicContact CE1-CD2 4.5Å; F139-L166 HydrophobicContact CE1-CG 3.62Å; F139-L166 HydrophobicContact CE2-CG 4.48Å; F139-L166 HydrophobicContact CG-CD1 4.46Å; F139-L166 HydrophobicContact CG-CD2 4.33Å; F139-L166 HydrophobicContact CG-CG 4.24Å; F139-L166 HydrophobicContact CZ-CG 4.01Å
140	N	87.3	Confident	86.8	Confident	103 Å²	103	58 Å²	58	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-70.9	-29.4	178.5	-71.8	-20.5	0	0	0	112.9	V136 E137 N142	V136-N140 WeakPolarHBondContact O-CB 3.24Å; V136-N140 PolarHBondContact O-N 3.16Å; V136-N140 PolarHBondContact O-ND2 2.78Å; E137-N140 PolarHBondContact O-N 2.87Å; N140-N142 VanDerWaalsContact C-N 3.31Å
141	R	88.8	Confident	86.7	Confident	155 Å²	155	53.4 Å²	53.4	59%	0.585	27%	0.273	S	S	*	.	H	α-helix	trans	-68.2	-29.2	174.2	-74	173.6	-174.4	178.9	-0.8	113.1	E137 E138 F139 P143	E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 3.11Å; E137-R141 IonicContact OE1-CZ 2.72Å; E137-R141 IonicContact OE1-NE 3.97Å; E137-R141 IonicContact OE1-NH2 3.49Å; E137-R141 PolarHBondContact OE1-NH2 3.3Å; E138-R141 PolarHBondContact O-N 3.33Å; E138-R141 IonicContact OE2-NH1 2.66Å; F139-R141 VanDerWaalsContact C-N 3.35Å; R141-P143 VanDerWaalsContact C-CD 3.45Å; R141-P143 WeakPolarHBondContact O-CD 3.48Å
142	N	83.2	Confident	86.2	Confident	66 Å²	66	51.9 Å²	51.9	35%	0.353	27%	0.268	S	S	.	.	S	Bend	trans	-122.2	68.5	-177.7	-59	-76.8	0	0	0	111.1	E138 F139 N140 G144 S145	E138-N142 PolarHBondContact O-N 2.99Å; E138-N142 PolarHBondContact O-ND2 2.91Å; E138-N142 PolarHBondContact OE1-ND2 3.1Å; E138-N142 VanDerWaalsContact OE1-ND2 3.1Å; F139-N142 CarbonylContact O-C 3.54Å; F139-N142 PolarHBondContact O-N 2.91Å; N140-N142 VanDerWaalsContact C-N 3.31Å; N142-G144 PolarHBondContact O-N 2.8Å; N142-S145 WeakPolarHBondContact CB-OG 3.34Å; N142-S145 WeakPolarHBondContact O-CB 3.4Å; N142-S145 PolarHBondContact O-N 3.09Å; N142-S145 PolarHBondContact O-OG 3.09Å
143	P	79.1	Confident	85.5	Confident	111 Å²	111	51.7 Å²	51.7	72%	0.721	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	132.4	-176.7	25.5	-33.4	0	0	0	111	R141	R141-P143 VanDerWaalsContact C-CD 3.45Å; R141-P143 WeakPolarHBondContact O-CD 3.48Å
144	G	75.9	Confident	84.8	Confident	44 Å²	44	48.4 Å²	48.4	45%	0.454	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-4.8	178	0	0	0	0	0	115.7	N142	N142-G144 PolarHBondContact O-N 2.8Å
145	S	84.9	Confident	83.5	Confident	25 Å²	25	47.3 Å²	47.3	18%	0.175	27%	0.269	C	S	.	.			trans	-61.1	143.6	172	-70.8	0	0	0	0	111.8	N142 W147	N142-S145 WeakPolarHBondContact CB-OG 3.34Å; N142-S145 WeakPolarHBondContact O-CB 3.4Å; N142-S145 PolarHBondContact O-N 3.09Å; N142-S145 PolarHBondContact O-OG 3.09Å; S145-W147 VanDerWaalsContact O-CD1 3.29Å
146	I	87.6	Confident	82	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.291	C	S	.	.			trans	-89	135.5	177.2	-57.3	164.2	0	0	0	109.5	L162 Y196 E198 L241 I244	I146-L162 HydrophobicContact CG2-CB 4.42Å; I146-L162 HydrophobicContact CG2-CD2 3.87Å; I146-Y196 HydrophobicContact CG2-CD1 4.17Å; I146-Y196 HydrophobicContact CG2-CG 4.1Å; I146-Y196 WeakPolarHBondContact O-CB 3.41Å; I146-Y196 PolarHBondContact O-N 3Å; I146-E198 HydrophobicContact CB-CG 4.35Å; I146-E198 HydrophobicContact CD1-CG 4.1Å; I146-E198 PolarHBondContact N-OE1 2.79Å; I146-L241 HydrophobicContact CD1-CD2 4Å; I146-I244 HydrophobicContact CD1-CD1 3.38Å; I146-I244 HydrophobicContact CG1-CD1 3.85Å; I146-I244 HydrophobicContact CG2-CD1 4.5Å
147	W	88.8	Confident	80.7	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.7	177.8	-66	79.4	0	0	0	110.3	F126 F135 E138 F139 S145 L162 F163 Q194 R195	F126-W147 HydrophobicContact CD2-CH2 4.22Å; F126-W147 AromaticContact CD2-CZ3 3.96Å; F126-W147 HydrophobicContact CD2-CZ3 3.96Å; F126-W147 AromaticContact CE2-CH2 3.87Å; F126-W147 HydrophobicContact CE2-CH2 3.87Å; F126-W147 HydrophobicContact CE2-CZ3 4.07Å; F135-W147 HydrophobicContact CD2-CE3 4.23Å; F135-W147 HydrophobicContact CD2-CH2 4.34Å; F135-W147 HydrophobicContact CD2-CZ3 4.08Å; F135-W147 AromaticContact CE2-CD2 3.83Å; F135-W147 HydrophobicContact CE2-CD2 3.83Å; F135-W147 AromaticContact CE2-CE3 3.74Å; F135-W147 HydrophobicContact CE2-CE3 3.74Å; F135-W147 HydrophobicContact CE2-CG 4.38Å; F135-W147 HydrophobicContact CE2-CH2 4.36Å; F135-W147 HydrophobicContact CE2-CZ2 4.41Å; F135-W147 HydrophobicContact CE2-CZ3 4.03Å; E138-W147 HydrophobicContact CG-CH2 4.2Å; E138-W147 HydrophobicContact CG-CZ2 4.44Å; F139-W147 AromaticContact CD2-CD1 3.65Å; F139-W147 HydrophobicContact CD2-CG 4.39Å; F139-W147 AromaticContact CD2-NE1 3.42Å; F139-W147 AromaticContact CE2-CD1 3.65Å; F139-W147 AromaticContact CE2-NE1 3.84Å; S145-W147 VanDerWaalsContact O-CD1 3.29Å; W147-L162 CarbonylContact O-C 3.6Å; W147-L162 VanDerWaalsContact O-CA 3.26Å; W147-L162 WeakPolarHBondContact O-CA 3.18Å; W147-F163 HydrophobicContact CB-CD1 4.12Å; W147-F163 HydrophobicContact CB-CD2 4.07Å; W147-F163 HydrophobicContact CB-CE1 3.53Å; W147-F163 HydrophobicContact CB-CE2 3.45Å; W147-F163 VanDerWaalsContact CB-CE2 3.45Å; W147-F163 HydrophobicContact CB-CG 4.37Å; W147-F163 HydrophobicContact CB-CZ 3.18Å; W147-F163 AromaticContact CG-CE2 3.93Å; W147-F163 HydrophobicContact CG-CE2 3.93Å; W147-F163 AromaticContact CG-CZ 3.92Å; W147-F163 HydrophobicContact CG-CZ 3.92Å; W147-F163 PolarHBondContact N-O 3.03Å; W147-F163 PolarHBondContact O-N 3.06Å; W147-Q194 WeakPolarHBondContact CA-O 3.46Å; W147-Q194 VanDerWaalsContact CE3-C 3.44Å; W147-R195 HydrophobicContact CE3-CB 4.25Å; W147-R195 HydrophobicContact CH2-CB 4.27Å; W147-R195 HydrophobicContact CZ3-CB 4.07Å
148	I	87.4	Confident	79.5	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.9	177.3	-178.4	164.9	0	0	0	108.8	K150 I160 Q194 Y196 L254	I148-K150 HydrophobicContact CG1-CG 4.08Å; I148-I160 HydrophobicContact CD1-CG2 3.54Å; I148-I160 HydrophobicContact CG1-CG2 3.55Å; I148-Q194 HydrophobicContact CG2-CB 3.99Å; I148-Q194 HydrophobicContact CG2-CG 4.32Å; I148-Q194 VanDerWaalsContact CG2-O 3.26Å; I148-Q194 WeakPolarHBondContact CG2-O 3.31Å; I148-Q194 PolarHBondContact N-O 2.82Å; I148-Q194 PolarHBondContact O-N 3.07Å; I148-Y196 HydrophobicContact CB-CD2 4.07Å; I148-Y196 HydrophobicContact CD1-CD2 4.25Å; I148-Y196 HydrophobicContact CD1-CE2 4.34Å; I148-Y196 HydrophobicContact CG2-CD2 4.13Å; I148-L254 HydrophobicContact CD1-CD2 4.46Å
149	M	86.5	Confident	78.6	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.7	174.9	-162.3	67.6	75.8	0	0	109.2	L128 I160 F161 F163 I169 Y191 V192 A193	L128-M149 HydrophobicContact CD1-CE 3.72Å; L128-M149 HydrophobicContact CD1-SD 3.98Å; M149-I160 WeakPolarHBondContact O-CA 3.38Å; M149-F161 HydrophobicContact CB-CD1 3.74Å; M149-F161 HydrophobicContact CB-CD2 4.24Å; M149-F161 HydrophobicContact CB-CE1 3.35Å; M149-F161 HydrophobicContact CB-CE2 3.89Å; M149-F161 HydrophobicContact CB-CG 4.17Å; M149-F161 HydrophobicContact CB-CZ 3.44Å; M149-F161 VanDerWaalsContact CB-CZ 3.44Å; M149-F161 HydrophobicContact CE-CZ 4.19Å; M149-F161 HydrophobicContact CG-CD1 4.28Å; M149-F161 HydrophobicContact CG-CE1 3.49Å; M149-F161 VanDerWaalsContact CG-CE1 3.49Å; M149-F161 HydrophobicContact CG-CZ 3.65Å; M149-F161 PolarHBondContact N-O 3.16Å; M149-F161 PolarHBondContact O-N 3.47Å; M149-F163 HydrophobicContact CB-CD1 4.33Å; M149-F163 HydrophobicContact CB-CE1 4.03Å; M149-F163 HydrophobicContact CE-CE1 3.7Å; M149-F163 HydrophobicContact CE-CZ 4.02Å; M149-I169 HydrophobicContact CE-CD1 3.99Å; M149-I169 HydrophobicContact CE-CG1 4.28Å; M149-I169 HydrophobicContact CE-CG2 4.3Å; M149-Y191 HydrophobicContact CG-CD1 3.76Å; M149-Y191 HydrophobicContact CG-CG 4.24Å; M149-Y191 HydrophobicContact SD-CG 4.47Å; M149-V192 WeakPolarHBondContact CA-O 3.42Å; M149-A193 HydrophobicContact CE-CB 4.09Å; M149-A193 HydrophobicContact SD-CB 3.89Å
150	K	86.2	Confident	78.1	Confident	16 Å²	16	53.8 Å²	53.8	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.7	-179.5	-57.9	177.5	-177.9	171.5	0	110.4	K93 I148 I160 V192	K93-K150 HydrophobicContact CD-CB 4.05Å; K93-K150 HydrophobicContact CD-CD 4.24Å; I148-K150 HydrophobicContact CG1-CG 4.08Å; K150-I160 HydrophobicContact CG-CD1 4.21Å; K150-I160 HydrophobicContact CG-CG1 4.21Å; K150-I160 HydrophobicContact CG-CG2 4.4Å; K150-V192 PolarHBondContact N-O 3.31Å; K150-V192 PolarHBondContact O-N 3.04Å
151	P	84.8	Confident	77.7	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.039	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	142.1	169.6	26.1	-35.1	0	0	0	110.8	K154 K158 G159 Y191	P151-K154 HydrophobicContact CB-CB 4.06Å; P151-K154 HydrophobicContact CB-CD 4.05Å; P151-K154 HydrophobicContact CB-CG 4.03Å; P151-K154 HydrophobicContact CG-CB 3.66Å; P151-K154 HydrophobicContact CG-CD 4.02Å; P151-K154 HydrophobicContact CG-CG 4.09Å; P151-K158 VanDerWaalsContact CG-O 3.31Å; P151-K158 WeakPolarHBondContact CG-O 3.17Å; P151-G159 WeakPolarHBondContact CD-O 3.2Å; P151-Y191 HydrophobicContact CB-CD1 4.32Å; P151-Y191 HydrophobicContact CB-CE1 3.87Å
152	V	79.7	Confident	77.5	Confident	16 Å²	16	44 Å²	44	10%	0.097	27%	0.267	C	S	.	.	S	Bend	trans	-64.8	-45.3	-175.6	166.5	0	0	0	0	112.8	N94 N190 V192	N94-V152 HydrophobicContact CB-CG1 4.25Å; N94-V152 HydrophobicContact CB-CG2 3.93Å; N94-V152 VanDerWaalsContact CG-CG1 3.46Å; N94-V152 WeakPolarHBondContact OD1-CG1 3.36Å; V152-N190 HydrophobicContact CB-CB 4.26Å; V152-N190 WeakPolarHBondContact CB-O 3.36Å; V152-N190 HydrophobicContact CG2-CB 3.74Å; V152-N190 VanDerWaalsContact CG2-O 3.25Å; V152-N190 WeakPolarHBondContact CG2-O 3.33Å; V152-N190 PolarHBondContact N-O 2.84Å; V152-N190 VanDerWaalsContact N-O 3.09Å; V152-V192 HydrophobicContact CG2-CG2 3.73Å
153	A	72	Confident	77.5	Confident	90 Å²	90	40.9 Å²	40.9	74%	0.744	25%	0.251	S	S	*	.	S	Bend	trans	-102.5	-9.1	-169.8	0	0	0	0	0	114.4
154	K	73.1	Confident	77.7	Confident	90 Å²	90	41 Å²	41	39%	0.391	24%	0.237	S	C	.	.			trans	-88.5	150.7	178.6	-53.8	178.2	-178.5	163.7	0	110.7	K93 P151 E189	K93-K154 PolarHBondContact NZ-O 2.9Å; P151-K154 HydrophobicContact CB-CB 4.06Å; P151-K154 HydrophobicContact CB-CD 4.05Å; P151-K154 HydrophobicContact CB-CG 4.03Å; P151-K154 HydrophobicContact CG-CB 3.66Å; P151-K154 HydrophobicContact CG-CD 4.02Å; P151-K154 HydrophobicContact CG-CG 4.09Å; K154-E189 VanDerWaalsContact CE-OE1 3.31Å; K154-E189 WeakPolarHBondContact CE-OE1 3.47Å; K154-E189 IonicContact NZ-OE1 3.58Å; K154-E189 PolarHBondContact NZ-OE1 3.5Å; K154-E189 IonicContact NZ-OE2 3.41Å
155	S	63	Low	77.9	Confident	67 Å²	67	45.5 Å²	45.5	47%	0.469	24%	0.244	S	C	.	.			trans	-120.9	-173.2	176.8	64.1	0	0	0	0	110	G157 K158	S155-G157 PolarHBondContact O-N 2.79Å; S155-G157 VanDerWaalsContact O-N 3.1Å; S155-K158 PolarHBondContact O-N 2.77Å
156	Q	59.9	Low	77.6	Confident	100 Å²	100	46.2 Å²	46.2	47%	0.467	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	12.8	172.7	-60.5	179.7	-20.7	0	0	116.3	K158 S258 V259	Q156-K158 VanDerWaalsContact C-N 3.3Å; Q156-K158 PolarHBondContact O-N 3.36Å; Q156-S258 WeakPolarHBondContact CA-OG 3.41Å; Q156-S258 WeakPolarHBondContact CB-OG 3.29Å; Q156-S258 PolarHBondContact O-OG 3.05Å; Q156-V259 WeakPolarHBondContact O-CG2 3.48Å
157	G	60.3	Low	77.1	Confident	11 Å²	11	52.7 Å²	52.7	11%	0.113	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	3.9	179.1	0	0	0	0	0	114.9	S155 N256	S155-G157 PolarHBondContact O-N 2.79Å; S155-G157 VanDerWaalsContact O-N 3.1Å; G157-N256 PolarHBondContact N-ND2 2.59Å
158	K	64.1	Low	76.4	Confident	136 Å²	136	55.1 Å²	55.1	59%	0.591	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	131.2	179.2	-66.1	-178.4	177.9	179.2	0	110.8	P151 S155 Q156 I160	P151-K158 VanDerWaalsContact CG-O 3.31Å; P151-K158 WeakPolarHBondContact CG-O 3.17Å; S155-K158 PolarHBondContact O-N 2.77Å; Q156-K158 VanDerWaalsContact C-N 3.3Å; Q156-K158 PolarHBondContact O-N 3.36Å; K158-I160 VanDerWaalsContact C-N 3.31Å
159	G	70.1	Confident	75.7	Confident	39 Å²	39	55.9 Å²	55.9	40%	0.402	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	14.3	178.6	0	0	0	0	0	114.8	P151	P151-G159 WeakPolarHBondContact CD-O 3.2Å
160	I	77.8	Confident	75	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.205	31%	0.31	C	S	.	.			trans	-87.1	129.8	174.2	-59.9	-174.8	0	0	0	109.2	I148 M149 K150 K158 L254	I148-I160 HydrophobicContact CD1-CG2 3.54Å; I148-I160 HydrophobicContact CG1-CG2 3.55Å; M149-I160 WeakPolarHBondContact O-CA 3.38Å; K150-I160 HydrophobicContact CG-CD1 4.21Å; K150-I160 HydrophobicContact CG-CG1 4.21Å; K150-I160 HydrophobicContact CG-CG2 4.4Å; K158-I160 VanDerWaalsContact C-N 3.31Å; I160-L254 HydrophobicContact CB-CD1 4.29Å; I160-L254 HydrophobicContact CB-CD2 4.45Å; I160-L254 HydrophobicContact CD1-CD2 4.15Å; I160-L254 HydrophobicContact CG2-CD2 3.9Å
161	F	79.5	Confident	74.1	Confident	32 Å²	32	61.8 Å²	61.8	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.9	171	69.8	-90.1	0	0	0	110.8	M149 F163 W172	M149-F161 HydrophobicContact CB-CD1 3.74Å; M149-F161 HydrophobicContact CB-CD2 4.24Å; M149-F161 HydrophobicContact CB-CE1 3.35Å; M149-F161 HydrophobicContact CB-CE2 3.89Å; M149-F161 HydrophobicContact CB-CG 4.17Å; M149-F161 HydrophobicContact CB-CZ 3.44Å; M149-F161 VanDerWaalsContact CB-CZ 3.44Å; M149-F161 HydrophobicContact CE-CZ 4.19Å; M149-F161 HydrophobicContact CG-CD1 4.28Å; M149-F161 HydrophobicContact CG-CE1 3.49Å; M149-F161 VanDerWaalsContact CG-CE1 3.49Å; M149-F161 HydrophobicContact CG-CZ 3.65Å; M149-F161 PolarHBondContact N-O 3.16Å; M149-F161 PolarHBondContact O-N 3.47Å; F161-F163 HydrophobicContact CD2-CB 4.27Å; F161-F163 HydrophobicContact CD2-CD1 4.02Å; F161-F163 HydrophobicContact CE2-CB 4.12Å; F161-F163 AromaticContact CE2-CD1 3.58Å; F161-F163 HydrophobicContact CE2-CD1 3.58Å; F161-F163 HydrophobicContact CE2-CE1 4.39Å; F161-F163 HydrophobicContact CE2-CG 4.14Å; F161-F163 HydrophobicContact CZ-CD1 4.43Å; F161-W172 HydrophobicContact CD1-CD2 4.07Å; F161-W172 AromaticContact CD1-CE2 3.89Å; F161-W172 HydrophobicContact CD1-CG 4.26Å; F161-W172 HydrophobicContact CD1-CZ2 4.43Å; F161-W172 AromaticContact CD1-NE1 3.9Å; F161-W172 AromaticContact CE1-CD2 3.43Å; F161-W172 HydrophobicContact CE1-CD2 3.43Å; F161-W172 VanDerWaalsContact CE1-CD2 3.43Å; F161-W172 AromaticContact CE1-CE2 3.62Å; F161-W172 AromaticContact CE1-CE3 3.71Å; F161-W172 HydrophobicContact CE1-CE3 3.71Å; F161-W172 AromaticContact CE1-CG 3.88Å; F161-W172 HydrophobicContact CE1-CG 3.88Å; F161-W172 HydrophobicContact CE1-CH2 4.36Å; F161-W172 HydrophobicContact CE1-CZ2 4.09Å; F161-W172 HydrophobicContact CE1-CZ3 4.16Å; F161-W172 HydrophobicContact CZ-CB 4.41Å; F161-W172 AromaticContact CZ-CD2 3.86Å; F161-W172 HydrophobicContact CZ-CD2 3.86Å; F161-W172 AromaticContact CZ-CE3 3.95Å; F161-W172 HydrophobicContact CZ-CE3 3.95Å; F161-W172 HydrophobicContact CZ-CG 4.05Å
162	L	82.9	Confident	73.4	Confident	21 Å²	21	64.8 Å²	64.8	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.6	171.9	-68.3	91.4	0	0	0	108.6	I146 W147 Y196 I244 I249 H253	I146-L162 HydrophobicContact CG2-CB 4.42Å; I146-L162 HydrophobicContact CG2-CD2 3.87Å; W147-L162 CarbonylContact O-C 3.6Å; W147-L162 VanDerWaalsContact O-CA 3.26Å; W147-L162 WeakPolarHBondContact O-CA 3.18Å; L162-Y196 HydrophobicContact CD2-CD1 4.21Å; L162-Y196 HydrophobicContact CD2-CD2 3.68Å; L162-Y196 HydrophobicContact CD2-CE1 4.2Å; L162-Y196 HydrophobicContact CD2-CE2 3.64Å; L162-Y196 HydrophobicContact CD2-CG 3.96Å; L162-I244 HydrophobicContact CB-CG2 4.13Å; L162-I249 HydrophobicContact CD1-CG2 3.68Å; L162-H253 HydrophobicContact CD1-CB 4.15Å
163	F	83.7	Confident	72.8	Confident	1 Å²	1	71.4 Å²	71.4	0%	0.004	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.5	176.9	63.9	-86.6	0	0	0	110.6	F135 F139 W147 M149 F161 D168 I169	F135-F163 HydrophobicContact CE2-CE2 4.41Å; F135-F163 HydrophobicContact CE2-CZ 4.17Å; F135-F163 AromaticContact CZ-CE2 3.72Å; F135-F163 HydrophobicContact CZ-CE2 3.72Å; F135-F163 AromaticContact CZ-CZ 3.69Å; F135-F163 HydrophobicContact CZ-CZ 3.69Å; F139-F163 HydrophobicContact CD2-CE2 4.37Å; F139-F163 HydrophobicContact CE2-CD2 4.3Å; F139-F163 AromaticContact CE2-CE2 3.94Å; F139-F163 HydrophobicContact CE2-CE2 3.94Å; W147-F163 HydrophobicContact CB-CD1 4.12Å; W147-F163 HydrophobicContact CB-CD2 4.07Å; W147-F163 HydrophobicContact CB-CE1 3.53Å; W147-F163 HydrophobicContact CB-CE2 3.45Å; W147-F163 VanDerWaalsContact CB-CE2 3.45Å; W147-F163 HydrophobicContact CB-CG 4.37Å; W147-F163 HydrophobicContact CB-CZ 3.18Å; W147-F163 AromaticContact CG-CE2 3.93Å; W147-F163 HydrophobicContact CG-CE2 3.93Å; W147-F163 AromaticContact CG-CZ 3.92Å; W147-F163 HydrophobicContact CG-CZ 3.92Å; W147-F163 PolarHBondContact N-O 3.03Å; W147-F163 PolarHBondContact O-N 3.06Å; M149-F163 HydrophobicContact CB-CD1 4.33Å; M149-F163 HydrophobicContact CB-CE1 4.03Å; M149-F163 HydrophobicContact CE-CE1 3.7Å; M149-F163 HydrophobicContact CE-CZ 4.02Å; F161-F163 HydrophobicContact CD2-CB 4.27Å; F161-F163 HydrophobicContact CD2-CD1 4.02Å; F161-F163 HydrophobicContact CE2-CB 4.12Å; F161-F163 AromaticContact CE2-CD1 3.58Å; F161-F163 HydrophobicContact CE2-CD1 3.58Å; F161-F163 HydrophobicContact CE2-CE1 4.39Å; F161-F163 HydrophobicContact CE2-CG 4.14Å; F161-F163 HydrophobicContact CZ-CD1 4.43Å; F163-D168 HydrophobicContact CB-CB 3.87Å; F163-I169 HydrophobicContact CD1-CG1 4.37Å; F163-I169 HydrophobicContact CD2-CD1 3.99Å; F163-I169 HydrophobicContact CD2-CG1 3.89Å; F163-I169 HydrophobicContact CE1-CD1 4.34Å; F163-I169 HydrophobicContact CE1-CG1 4.43Å; F163-I169 HydrophobicContact CE2-CD1 3.55Å; F163-I169 HydrophobicContact CE2-CG1 3.98Å; F163-I169 HydrophobicContact CG-CG1 4.09Å; F163-I169 HydrophobicContact CZ-CD1 3.72Å; F163-I169 HydrophobicContact CZ-CG1 4.22Å
164	R	83.2	Confident	72.3	Confident	113 Å²	113	72.6 Å²	72.6	43%	0.426	35%	0.348	S	S	.	.	S	Bend	trans	-122.7	-18.1	177.2	-170.4	-175.1	-76.6	166.9	-5.2	111.7	F139 D168	F139-R164 VanDerWaalsContact CZ-O 3.27Å; F139-R164 WeakPolarHBondContact CZ-O 3.37Å; R164-D168 PolarHBondContact N-OD2 3.2Å
165	K	81.1	Confident	71.6	Confident	139 Å²	139	75.1 Å²	75.1	60%	0.604	36%	0.361	S	S	*	.	S	Bend	trans	-121.6	144.2	177.4	-61	174.9	-176.6	171.8	0	109.4	K167 D168	K165-K167 PolarHBondContact O-N 3.29Å; K165-D168 PolarHBondContact N-OD2 3.39Å; K165-D168 WeakPolarHBondContact O-CB 3.25Å; K165-D168 VanDerWaalsContact O-CG 3.29Å; K165-D168 PolarHBondContact O-N 2.93Å; K165-D168 VanDerWaalsContact O-N 3.12Å
166	L	78.3	Confident	71.2	Confident	40 Å²	40	74.5 Å²	74.5	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-28.5	174.3	-77	165.6	0	0	0	112.3	F135 V136 F139 D168 I169 I170	F135-L166 HydrophobicContact CE1-CD2 3.69Å; F135-L166 HydrophobicContact CZ-CD2 4.15Å; V136-L166 HydrophobicContact CG1-CD1 4.46Å; V136-L166 HydrophobicContact CG2-CD2 4.37Å; F139-L166 HydrophobicContact CD1-CD1 3.74Å; F139-L166 HydrophobicContact CD1-CD2 4.31Å; F139-L166 HydrophobicContact CD1-CG 3.74Å; F139-L166 HydrophobicContact CE1-CD1 3.94Å; F139-L166 HydrophobicContact CE1-CD2 4.5Å; F139-L166 HydrophobicContact CE1-CG 3.62Å; F139-L166 HydrophobicContact CE2-CG 4.48Å; F139-L166 HydrophobicContact CG-CD1 4.46Å; F139-L166 HydrophobicContact CG-CD2 4.33Å; F139-L166 HydrophobicContact CG-CG 4.24Å; F139-L166 HydrophobicContact CZ-CG 4.01Å; L166-D168 PolarHBondContact O-N 3.3Å; L166-I169 HydrophobicContact CD2-CD1 4.03Å; L166-I169 WeakPolarHBondContact O-CB 3.39Å; L166-I169 PolarHBondContact O-N 2.96Å; L166-I170 PolarHBondContact O-N 3.4Å
167	K	75.9	Confident	70.7	Confident	136 Å²	136	71.9 Å²	71.9	59%	0.591	35%	0.35	S	S	*	.	H	α-helix	trans	-58.2	-37.8	176.1	-166.3	-176.3	173.9	-173.6	0	111.9	K165 I169 I170 D171	K165-K167 PolarHBondContact O-N 3.29Å; K167-I169 PolarHBondContact O-N 3.17Å; K167-I170 WeakPolarHBondContact O-CB 3.45Å; K167-I170 PolarHBondContact O-N 2.92Å; K167-D171 WeakPolarHBondContact CE-OD2 3.27Å; K167-D171 PolarHBondContact O-N 3.5Å
168	D	74.1	Confident	69.9	Low	53 Å²	53	78.6 Å²	78.6	28%	0.283	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-34.8	179.8	-46.6	-21.8	0	0	0	111.4	F163 R164 K165 L166 W172	F163-D168 HydrophobicContact CB-CB 3.87Å; R164-D168 PolarHBondContact N-OD2 3.2Å; K165-D168 PolarHBondContact N-OD2 3.39Å; K165-D168 WeakPolarHBondContact O-CB 3.25Å; K165-D168 VanDerWaalsContact O-CG 3.29Å; K165-D168 PolarHBondContact O-N 2.93Å; K165-D168 VanDerWaalsContact O-N 3.12Å; L166-D168 PolarHBondContact O-N 3.3Å; D168-W172 VanDerWaalsContact O-CB 3.23Å; D168-W172 WeakPolarHBondContact O-CB 3.1Å; D168-W172 PolarHBondContact O-N 2.92Å
169	I	73.5	Confident	69	Low	24 Å²	24	76.6 Å²	76.6	12%	0.123	38%	0.382	C	S	.	.	H	α-helix	trans	-68.1	-41.3	175.8	-53.8	177.3	0	0	0	111	F135 M149 F163 L166 K167 K173	F135-I169 HydrophobicContact CE1-CD1 3.81Å; F135-I169 HydrophobicContact CZ-CD1 4Å; M149-I169 HydrophobicContact CE-CD1 3.99Å; M149-I169 HydrophobicContact CE-CG1 4.28Å; M149-I169 HydrophobicContact CE-CG2 4.3Å; F163-I169 HydrophobicContact CD1-CG1 4.37Å; F163-I169 HydrophobicContact CD2-CD1 3.99Å; F163-I169 HydrophobicContact CD2-CG1 3.89Å; F163-I169 HydrophobicContact CE1-CD1 4.34Å; F163-I169 HydrophobicContact CE1-CG1 4.43Å; F163-I169 HydrophobicContact CE2-CD1 3.55Å; F163-I169 HydrophobicContact CE2-CG1 3.98Å; F163-I169 HydrophobicContact CG-CG1 4.09Å; F163-I169 HydrophobicContact CZ-CD1 3.72Å; F163-I169 HydrophobicContact CZ-CG1 4.22Å; L166-I169 HydrophobicContact CD2-CD1 4.03Å; L166-I169 WeakPolarHBondContact O-CB 3.39Å; L166-I169 PolarHBondContact O-N 2.96Å; K167-I169 PolarHBondContact O-N 3.17Å; I169-K173 WeakPolarHBondContact O-CB 3.34Å; I169-K173 PolarHBondContact O-N 3.4Å
170	I	71.4	Confident	67.7	Low	85 Å²	85	80.8 Å²	80.8	44%	0.436	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-44.7	-178.5	-62.4	172.2	0	0	0	110	L166 K167 K173 K174	L166-I170 PolarHBondContact O-N 3.4Å; K167-I170 WeakPolarHBondContact O-CB 3.45Å; K167-I170 PolarHBondContact O-N 2.92Å; I170-K173 PolarHBondContact O-N 2.9Å; I170-K174 HydrophobicContact CG2-CD 4.48Å; I170-K174 WeakPolarHBondContact O-CG 3.32Å; I170-K174 PolarHBondContact O-N 2.84Å; I170-K174 VanDerWaalsContact O-N 3.1Å
171	D	67.7	Low	66	Low	58 Å²	58	88.1 Å²	88.1	31%	0.31	42%	0.424	S	S	.	.	H	α-helix	trans	-66.3	-42.1	179.6	-67	-19.1	0	0	0	110.4	K167 K173 K174 E175	K167-D171 WeakPolarHBondContact CE-OD2 3.27Å; K167-D171 PolarHBondContact O-N 3.5Å; D171-K173 PolarHBondContact O-N 2.71Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 2.8Å; D171-K174 VanDerWaalsContact O-N 3.11Å; D171-E175 PolarHBondContact O-N 3.37Å
172	W	69.1	Low	64.3	Low	69 Å²	69	94.8 Å²	94.8	26%	0.261	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-38.9	173.6	179.8	80.1	0	0	0	113.6	F161 D168 K174 E175 S176 Y191	F161-W172 HydrophobicContact CD1-CD2 4.07Å; F161-W172 AromaticContact CD1-CE2 3.89Å; F161-W172 HydrophobicContact CD1-CG 4.26Å; F161-W172 HydrophobicContact CD1-CZ2 4.43Å; F161-W172 AromaticContact CD1-NE1 3.9Å; F161-W172 AromaticContact CE1-CD2 3.43Å; F161-W172 HydrophobicContact CE1-CD2 3.43Å; F161-W172 VanDerWaalsContact CE1-CD2 3.43Å; F161-W172 AromaticContact CE1-CE2 3.62Å; F161-W172 AromaticContact CE1-CE3 3.71Å; F161-W172 HydrophobicContact CE1-CE3 3.71Å; F161-W172 AromaticContact CE1-CG 3.88Å; F161-W172 HydrophobicContact CE1-CG 3.88Å; F161-W172 HydrophobicContact CE1-CH2 4.36Å; F161-W172 HydrophobicContact CE1-CZ2 4.09Å; F161-W172 HydrophobicContact CE1-CZ3 4.16Å; F161-W172 HydrophobicContact CZ-CB 4.41Å; F161-W172 AromaticContact CZ-CD2 3.86Å; F161-W172 HydrophobicContact CZ-CD2 3.86Å; F161-W172 AromaticContact CZ-CE3 3.95Å; F161-W172 HydrophobicContact CZ-CE3 3.95Å; F161-W172 HydrophobicContact CZ-CG 4.05Å; D168-W172 VanDerWaalsContact O-CB 3.23Å; D168-W172 WeakPolarHBondContact O-CB 3.1Å; D168-W172 PolarHBondContact O-N 2.92Å; W172-K174 VanDerWaalsContact C-N 3.31Å; W172-K174 PolarHBondContact O-N 2.86Å; W172-E175 PolarHBondContact O-N 3.03Å; W172-S176 WeakPolarHBondContact O-CB 3.35Å; W172-S176 PolarHBondContact O-N 2.93Å; W172-S176 PolarHBondContact O-OG 2.88Å; W172-Y191 AromaticContact CH2-CE1 3.8Å; W172-Y191 HydrophobicContact CH2-CE1 3.8Å; W172-Y191 AromaticContact CH2-CE2 3.85Å; W172-Y191 HydrophobicContact CH2-CE2 3.85Å; W172-Y191 AromaticContact CH2-CZ 3.37Å; W172-Y191 VanDerWaalsContact CH2-OH 3.31Å; W172-Y191 WeakPolarHBondContact CH2-OH 3.26Å; W172-Y191 HydrophobicContact CZ2-CE1 4.38Å; W172-Y191 HydrophobicContact CZ3-CE2 4.25Å
173	K	67.5	Low	62.5	Low	156 Å²	156	99.3 Å²	99.3	68%	0.678	47%	0.474	S	S	*	.	H	α-helix	trans	-65.4	-35.4	175.4	-169.9	178.8	179.6	-177.3	0	111.5	I169 I170 D171 S177	I169-K173 WeakPolarHBondContact O-CB 3.34Å; I169-K173 PolarHBondContact O-N 3.4Å; I170-K173 PolarHBondContact O-N 2.9Å; D171-K173 PolarHBondContact O-N 2.71Å; K173-S177 WeakPolarHBondContact O-CB 3.39Å; K173-S177 PolarHBondContact O-N 3.39Å; K173-S177 VanDerWaalsContact O-N 3.16Å; K173-S177 PolarHBondContact O-OG 3.42Å
174	K	61.7	Low	60.3	Low	114 Å²	114	107.5 Å²	107.5	50%	0.496	52%	0.518	S	S	.	.	H	α-helix	trans	-69.9	-45.6	176.3	-71.8	173	-179.8	175.3	0	111.8	I170 D171 W172 S176 S177 H178	I170-K174 HydrophobicContact CG2-CD 4.48Å; I170-K174 WeakPolarHBondContact O-CG 3.32Å; I170-K174 PolarHBondContact O-N 2.84Å; I170-K174 VanDerWaalsContact O-N 3.1Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 2.8Å; D171-K174 VanDerWaalsContact O-N 3.11Å; W172-K174 VanDerWaalsContact C-N 3.31Å; W172-K174 PolarHBondContact O-N 2.86Å; K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 3.29Å; K174-S177 WeakPolarHBondContact CA-OG 3.36Å; K174-S177 PolarHBondContact O-N 2.97Å; K174-S177 PolarHBondContact O-OG 3.24Å; K174-H178 PolarHBondContact O-CD2 3.26Å; K174-H178 PolarHBondContact O-N 2.85Å
175	E	58.4	Low	58.4	Low	143 Å²	143	106.7 Å²	106.7	67%	0.668	54%	0.535	S	S	*	.	H	α-helix	trans	-59.8	-42.1	175.4	-73.3	-179.8	175	0	0	112.1	D171 W172 S177 H178	D171-E175 PolarHBondContact O-N 3.37Å; W172-E175 PolarHBondContact O-N 3.03Å; E175-S177 PolarHBondContact O-N 3.16Å; E175-H178 PolarHBondContact O-N 3.5Å
176	S	54.6	Low	56.8	Low	54 Å²	54	103.7 Å²	103.7	38%	0.378	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-30.2	175.4	-56.5	0	0	0	0	112.1	W172 K174 S179	W172-S176 WeakPolarHBondContact O-CB 3.35Å; W172-S176 PolarHBondContact O-N 2.93Å; W172-S176 PolarHBondContact O-OG 2.88Å; K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 3.29Å; S176-S179 PolarHBondContact O-OG 2.62Å
177	S	50.4	Low	55.7	Low	46 Å²	46	107 Å²	107	32%	0.322	56%	0.561	S	S	.	*	H	α-helix	trans	-80.9	-10.6	-179.3	71.6	0	0	0	0	115.4	K173 K174 E175 S179 E180 K183	K173-S177 WeakPolarHBondContact O-CB 3.39Å; K173-S177 PolarHBondContact O-N 3.39Å; K173-S177 VanDerWaalsContact O-N 3.16Å; K173-S177 PolarHBondContact O-OG 3.42Å; K174-S177 WeakPolarHBondContact CA-OG 3.36Å; K174-S177 PolarHBondContact O-N 2.97Å; K174-S177 PolarHBondContact O-OG 3.24Å; E175-S177 PolarHBondContact O-N 3.16Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-E180 WeakPolarHBondContact O-CG 3.48Å; S177-K183 PolarHBondContact O-NZ 2.7Å
178	H	43.2	Very low	54.9	Low	151 Å²	151	106 Å²	106	70%	0.699	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-3.4	175.8	-76.8	-59.9	0	0	0	114	K174 E175 E180	K174-H178 PolarHBondContact O-CD2 3.26Å; K174-H178 PolarHBondContact O-N 2.85Å; E175-H178 PolarHBondContact O-N 3.5Å; H178-E180 VanDerWaalsContact C-N 3.27Å; H178-E180 PolarHBondContact O-N 3.12Å
179	S	44.9	Very low	54.5	Low	95 Å²	95	108.3 Å²	108.3	66%	0.664	58%	0.575	S	S	*	*			trans	-85.7	67.2	167.5	56.8	0	0	0	0	110.1	S176 S177 E181	S176-S179 PolarHBondContact O-OG 2.62Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S179-E181 PolarHBondContact O-N 3.46Å
180	E	41.9	Very low	54.9	Low	127 Å²	127	110.6 Å²	110.6	59%	0.593	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-81.2	8.6	-165.5	-71.9	-156.1	131	0	0	117.2	S177 H178 Q182 K183	S177-E180 WeakPolarHBondContact O-CG 3.48Å; H178-E180 VanDerWaalsContact C-N 3.27Å; H178-E180 PolarHBondContact O-N 3.12Å; E180-Q182 PolarHBondContact O-N 2.73Å; E180-K183 IonicContact OE1-NZ 3.82Å; E180-K183 PolarHBondContact OE1-NZ 3.01Å
181	E	43.9	Very low	55.5	Low	193 Å²	193	107.6 Å²	107.6	90%	0.902	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-87	1.4	-176	-73.3	-177.7	168.7	0	0	115.5	S179	S179-E181 PolarHBondContact O-N 3.46Å
182	Q	42.9	Very low	56.5	Low	173 Å²	173	105 Å²	105	81%	0.808	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-143.2	44	-177.1	-64.5	-176.1	-0.6	0	0	114.9	E180	E180-Q182 PolarHBondContact O-N 2.73Å
183	K	45.1	Very low	57.6	Low	116 Å²	116	101.7 Å²	101.7	50%	0.504	54%	0.544	S	S	.	.			trans	-83	-12.2	-175.2	-92.1	-179.7	-177.6	168.6	0	116.9	S177 E180 A185	S177-K183 PolarHBondContact O-NZ 2.7Å; E180-K183 IonicContact OE1-NZ 3.82Å; E180-K183 PolarHBondContact OE1-NZ 3.01Å; K183-A185 PolarHBondContact O-N 2.82Å
184	D	38.3	Very low	58.8	Low	172 Å²	172	94.8 Å²	94.8	92%	0.92	51%	0.514	S	S	*	.	S	Bend	trans	-88.1	7	-167.5	-73	-27.3	0	0	0	116.8
185	A	43.4	Very low	60.2	Low	96 Å²	96	94.6 Å²	94.6	79%	0.793	51%	0.511	S	S	*	.	S	Bend	trans	-151.5	2.1	175.6	0	0	0	0	0	116	K183 P187	K183-A185 PolarHBondContact O-N 2.82Å; A185-P187 WeakPolarHBondContact O-CD 3.45Å
186	A	47.5	Very low	61.8	Low	76 Å²	76	88.5 Å²	88.5	63%	0.628	48%	0.481	S	S	*	.			trans	-78.6	121.4	-173.6	0	0	0	0	0	111.2
187	P	54.2	Low	63.5	Low	111 Å²	111	87 Å²	87	72%	0.721	47%	0.469	S	S	*	.			trans	-62.6	145.4	176.6	24.8	-32	0	0	0	110.7	A185 E189	A185-P187 WeakPolarHBondContact O-CD 3.45Å; P187-E189 PolarHBondContact O-N 2.8Å
188	V	59	Low	65.3	Low	114 Å²	114	87.9 Å²	87.9	69%	0.691	47%	0.468	S	S	*	.			trans	-51.2	111.4	173.9	179.8	0	0	0	0	109	N190	V188-N190 PolarHBondContact O-N 2.9Å
189	E	66.7	Low	67.6	Low	101 Å²	101	84.5 Å²	84.5	47%	0.472	46%	0.455	S	S	.	.			trans	-66.7	118.4	-179.8	-79.7	-166.6	148.8	0	0	109.7	K154 P187 Y191	K154-E189 VanDerWaalsContact CE-OE1 3.31Å; K154-E189 WeakPolarHBondContact CE-OE1 3.47Å; K154-E189 IonicContact NZ-OE1 3.58Å; K154-E189 PolarHBondContact NZ-OE1 3.5Å; K154-E189 IonicContact NZ-OE2 3.41Å; P187-E189 PolarHBondContact O-N 2.8Å; E189-Y191 HydrophobicContact CB-CD2 4.31Å; E189-Y191 HydrophobicContact CB-CE2 3.54Å; E189-Y191 VanDerWaalsContact O-CD2 3.24Å; E189-Y191 WeakPolarHBondContact O-CD2 3.25Å; E189-Y191 PolarHBondContact OE2-OH 2.85Å
190	N	80.7	Confident	69.9	Low	72 Å²	72	80.3 Å²	80.3	39%	0.385	43%	0.425	S	S	.	.			trans	-80	135.1	175.1	-69.2	-49.2	0	0	0	110.3	V152 V188	V152-N190 HydrophobicContact CB-CB 4.26Å; V152-N190 WeakPolarHBondContact CB-O 3.36Å; V152-N190 HydrophobicContact CG2-CB 3.74Å; V152-N190 VanDerWaalsContact CG2-O 3.25Å; V152-N190 WeakPolarHBondContact CG2-O 3.33Å; V152-N190 PolarHBondContact N-O 2.84Å; V152-N190 VanDerWaalsContact N-O 3.09Å; V188-N190 PolarHBondContact O-N 2.9Å
191	Y	85.3	Confident	72.5	Confident	23 Å²	23	74.9 Å²	74.9	9%	0.09	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	157.4	-179.5	-76.8	-87.7	0	0	0	111.4	L128 M149 P151 W172 E189	L128-Y191 PolarHBondContact N-O 2.83Å; L128-Y191 PolarHBondContact O-N 3.33Å; M149-Y191 HydrophobicContact CG-CD1 3.76Å; M149-Y191 HydrophobicContact CG-CG 4.24Å; M149-Y191 HydrophobicContact SD-CG 4.47Å; P151-Y191 HydrophobicContact CB-CD1 4.32Å; P151-Y191 HydrophobicContact CB-CE1 3.87Å; W172-Y191 AromaticContact CH2-CE1 3.8Å; W172-Y191 HydrophobicContact CH2-CE1 3.8Å; W172-Y191 AromaticContact CH2-CE2 3.85Å; W172-Y191 HydrophobicContact CH2-CE2 3.85Å; W172-Y191 AromaticContact CH2-CZ 3.37Å; W172-Y191 VanDerWaalsContact CH2-OH 3.31Å; W172-Y191 WeakPolarHBondContact CH2-OH 3.26Å; W172-Y191 HydrophobicContact CZ2-CE1 4.38Å; W172-Y191 HydrophobicContact CZ3-CE2 4.25Å; E189-Y191 HydrophobicContact CB-CD2 4.31Å; E189-Y191 HydrophobicContact CB-CE2 3.54Å; E189-Y191 VanDerWaalsContact O-CD2 3.24Å; E189-Y191 WeakPolarHBondContact O-CD2 3.25Å; E189-Y191 PolarHBondContact OE2-OH 2.85Å
192	V	88.9	Confident	74.8	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.2	174.5	176.8	0	0	0	0	108.1	K93 N94 T125 F126 M149 K150 V152	K93-V192 HydrophobicContact CB-CG2 4.02Å; N94-V192 HydrophobicContact CB-CG2 4.26Å; T125-V192 HydrophobicContact CG2-CG1 3.02Å; F126-V192 CarbonylContact O-C 3.53Å; F126-V192 WeakPolarHBondContact O-CA 3.08Å; M149-V192 WeakPolarHBondContact CA-O 3.42Å; K150-V192 PolarHBondContact N-O 3.31Å; K150-V192 PolarHBondContact O-N 3.04Å; V152-V192 HydrophobicContact CG2-CG2 3.73Å
193	A	91.1	Very high	77.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.9	171.6	0	0	0	0	0	108.3	T125 F126 L128 F135 M149	T125-A193 CarbonylContact C-O 3.53Å; T125-A193 WeakPolarHBondContact CA-O 3.47Å; F126-A193 PolarHBondContact N-O 2.79Å; F126-A193 PolarHBondContact O-N 2.76Å; L128-A193 HydrophobicContact CD1-CB 3.98Å; L128-A193 HydrophobicContact CG-CB 4.35Å; F135-A193 HydrophobicContact CD2-CB 4.03Å; F135-A193 HydrophobicContact CE2-CB 4Å; F135-A193 HydrophobicContact CG-CB 4.49Å; F135-A193 HydrophobicContact CZ-CB 4.44Å; M149-A193 HydrophobicContact CE-CB 4.09Å; M149-A193 HydrophobicContact SD-CB 3.89Å
194	Q	92.5	Very high	79.1	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.6	-176.3	175.3	172.8	82.4	0	0	110	P123 C124 T125 W147 I148 Y196	P123-Q194 HydrophobicContact CB-CG 3.75Å; P123-Q194 HydrophobicContact CG-CG 4.25Å; C124-Q194 CarbonylContact O-C 3.53Å; C124-Q194 WeakPolarHBondContact O-CA 3.15Å; T125-Q194 HydrophobicContact CG2-CB 4.13Å; T125-Q194 WeakPolarHBondContact OG1-CG 3.3Å; T125-Q194 PolarHBondContact OG1-NE2 2.95Å; W147-Q194 WeakPolarHBondContact CA-O 3.46Å; W147-Q194 VanDerWaalsContact CE3-C 3.44Å; I148-Q194 HydrophobicContact CG2-CB 3.99Å; I148-Q194 HydrophobicContact CG2-CG 4.32Å; I148-Q194 VanDerWaalsContact CG2-O 3.26Å; I148-Q194 WeakPolarHBondContact CG2-O 3.31Å; I148-Q194 PolarHBondContact N-O 2.82Å; I148-Q194 PolarHBondContact O-N 3.07Å; Q194-Y196 PolarHBondContact O-N 3.09Å
195	R	92	Very high	81.3	Confident	111 Å²	111	53.7 Å²	53.7	42%	0.419	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	127.9	174.8	-174.7	159.4	62.6	114.2	-3.2	109.4	P123 C124 W147	P123-R195 WeakPolarHBondContact CB-O 3.15Å; C124-R195 HydrophobicContact CB-CB 4.15Å; C124-R195 PolarHBondContact O-N 2.85Å; W147-R195 HydrophobicContact CE3-CB 4.25Å; W147-R195 HydrophobicContact CH2-CB 4.27Å; W147-R195 HydrophobicContact CZ3-CB 4.07Å
196	Y	90.5	Very high	83.4	Confident	14 Å²	14	53.6 Å²	53.6	6%	0.055	29%	0.289	C	S	.	.			trans	-75.2	141.8	-179.8	-169.2	-104.6	0	0	0	110.2	I146 I148 L162 Q194 E198 K207 F239 L241 H253	I146-Y196 HydrophobicContact CG2-CD1 4.17Å; I146-Y196 HydrophobicContact CG2-CG 4.1Å; I146-Y196 WeakPolarHBondContact O-CB 3.41Å; I146-Y196 PolarHBondContact O-N 3Å; I148-Y196 HydrophobicContact CB-CD2 4.07Å; I148-Y196 HydrophobicContact CD1-CD2 4.25Å; I148-Y196 HydrophobicContact CD1-CE2 4.34Å; I148-Y196 HydrophobicContact CG2-CD2 4.13Å; L162-Y196 HydrophobicContact CD2-CD1 4.21Å; L162-Y196 HydrophobicContact CD2-CD2 3.68Å; L162-Y196 HydrophobicContact CD2-CE1 4.2Å; L162-Y196 HydrophobicContact CD2-CE2 3.64Å; L162-Y196 HydrophobicContact CD2-CG 3.96Å; Q194-Y196 PolarHBondContact O-N 3.09Å; Y196-E198 HydrophobicContact CD1-CG 4.31Å; Y196-E198 PolarHBondContact O-N 3.34Å; Y196-K207 PolarHBondContact OH-NZ 2.83Å; Y196-F239 HydrophobicContact CE1-CE2 4.46Å; Y196-F239 HydrophobicContact CE1-CZ 4.4Å; Y196-L241 HydrophobicContact CE1-CD2 4.27Å; Y196-H253 AromaticContact CZ-ND1 3.68Å; Y196-H253 WeakPolarHBondContact OH-CB 3.28Å; Y196-H253 PolarHBondContact OH-ND1 3.06Å
197	I	91.3	Very high	85.4	Confident	23 Å²	23	50.6 Å²	50.6	12%	0.118	26%	0.262	C	S	.	.			trans	-85	99.6	172.9	-64.9	164.4	0	0	0	107	P123 L329 D331 W337 I339	P123-I197 HydrophobicContact CG-CD1 3.95Å; P123-I197 HydrophobicContact CG-CG1 4.34Å; I197-L329 HydrophobicContact CB-CD2 3.99Å; I197-L329 HydrophobicContact CD1-CD2 3.77Å; I197-L329 HydrophobicContact CD1-CG 4.46Å; I197-L329 HydrophobicContact CG1-CD2 4.46Å; I197-L329 HydrophobicContact CG2-CD2 4.2Å; I197-D331 HydrophobicContact CG2-CB 4.15Å; I197-W337 HydrophobicContact CD1-CB 3.56Å; I197-W337 HydrophobicContact CD1-CD2 4Å; I197-W337 HydrophobicContact CD1-CG 3.47Å; I197-W337 VanDerWaalsContact CD1-CG 3.47Å; I197-I339 HydrophobicContact CD1-CD1 4.04Å
198	E	88.1	Confident	87.2	Confident	64 Å²	64	45.4 Å²	45.4	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	-71.6	-34.5	-172.4	-58.8	-172.5	-167.1	0	0	112.5	I146 Y196 P200 F239 L241	I146-E198 HydrophobicContact CB-CG 4.35Å; I146-E198 HydrophobicContact CD1-CG 4.1Å; I146-E198 PolarHBondContact N-OE1 2.79Å; Y196-E198 HydrophobicContact CD1-CG 4.31Å; Y196-E198 PolarHBondContact O-N 3.34Å; E198-P200 WeakPolarHBondContact O-CD 3.21Å; E198-F239 WeakPolarHBondContact O-CE1 3.33Å; E198-F239 WeakPolarHBondContact O-CZ 3.24Å; E198-L241 HydrophobicContact CB-CD1 4.06Å
199	N	91.5	Very high	88.9	Confident	81 Å²	81	40.4 Å²	40.4	43%	0.433	20%	0.197	S	C	.	.	S	Bend	trans	-111.7	71.5	-179.9	-56.9	-25.6	0	0	0	111.1	D331 E332	N199-D331 CarbonylContact O-C 3.59Å; N199-D331 WeakPolarHBondContact O-CA 3.41Å; N199-E332 HydrophobicContact CB-CB 4.14Å; N199-E332 VanDerWaalsContact CB-CD 3.4Å; N199-E332 HydrophobicContact CB-CG 3.95Å; N199-E332 PolarHBondContact ND2-OE1 3.19Å; N199-E332 PolarHBondContact O-N 3.03Å
200	P	93.6	Very high	90.2	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.039	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-69.2	152.5	173.3	31.4	-34.4	0	0	0	110.6	E198 L202 K207 F239 L329 L330	E198-P200 WeakPolarHBondContact O-CD 3.21Å; P200-L202 HydrophobicContact CG-CD2 3.98Å; P200-L202 WeakPolarHBondContact O-CG 3.16Å; P200-L202 PolarHBondContact O-N 3.2Å; P200-K207 HydrophobicContact CB-CG 4.2Å; P200-K207 HydrophobicContact CG-CD 4.23Å; P200-K207 HydrophobicContact CG-CG 4.16Å; P200-F239 HydrophobicContact CG-CD1 4.26Å; P200-F239 HydrophobicContact CG-CD2 4.19Å; P200-F239 HydrophobicContact CG-CE1 3.89Å; P200-F239 HydrophobicContact CG-CE2 3.8Å; P200-F239 HydrophobicContact CG-CG 4.39Å; P200-F239 HydrophobicContact CG-CZ 3.63Å; P200-L329 HydrophobicContact CB-CD1 4.32Å; P200-L329 HydrophobicContact CB-CD2 4.47Å; P200-L330 CarbonylContact C-O 3.39Å; P200-L330 WeakPolarHBondContact CA-O 3.44Å
201	Y	95.1	Very high	90.9	Very high	13 Å²	13	33 Å²	33	5%	0.051	16%	0.16	C	C	.	.			trans	-63.8	127.2	169.4	-167.9	-102	0	0	0	109.6	I203 F208 L283 K286 H287 L330 D331 L334	Y201-I203 HydrophobicContact CD1-CG1 4.21Å; Y201-I203 HydrophobicContact CE1-CD1 4.37Å; Y201-I203 HydrophobicContact CE1-CG1 3.82Å; Y201-F208 AromaticContact CD1-CE1 3.73Å; Y201-F208 HydrophobicContact CD1-CE1 3.73Å; Y201-F208 AromaticContact CD1-CZ 3.79Å; Y201-F208 HydrophobicContact CD1-CZ 3.79Å; Y201-F208 VanDerWaalsContact O-CE1 3.26Å; Y201-F208 WeakPolarHBondContact O-CE1 3.47Å; Y201-L283 HydrophobicContact CD1-CD2 4.36Å; Y201-L283 HydrophobicContact CE1-CD2 3.65Å; Y201-K286 WeakPolarHBondContact OH-CD 3.5Å; Y201-K286 WeakPolarHBondContact OH-CE 3.2Å; Y201-K286 PolarHBondContact OH-NZ 3.38Å; Y201-H287 AromaticContact CE2-CE1 3.86Å; Y201-H287 AromaticContact CE2-NE2 3.32Å; Y201-H287 VanDerWaalsContact CE2-NE2 3.32Å; Y201-H287 WeakPolarHBondContact CE2-NE2 3.48Å; Y201-H287 AromaticContact CZ-NE2 3.32Å; Y201-H287 VanDerWaalsContact CZ-NE2 3.32Å; Y201-H287 PolarHBondContact OH-NE2 2.72Å; Y201-L330 PolarHBondContact N-O 3.08Å; Y201-D331 WeakPolarHBondContact CB-O 3.32Å; Y201-L334 HydrophobicContact CD1-CD2 4.37Å; Y201-L334 HydrophobicContact CD2-CD2 3.65Å; Y201-L334 HydrophobicContact CD2-CG 4.29Å; Y201-L334 HydrophobicContact CE2-CD2 3.81Å; Y201-L334 HydrophobicContact CE2-CG 4.42Å; Y201-L334 HydrophobicContact CG-CD2 3.98Å
202	L	92.8	Very high	91.5	Very high	57 Å²	57	31.9 Å²	31.9	30%	0.298	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139	-177.9	-57	179.4	0	0	0	111	P200 R206 K207 F239	P200-L202 HydrophobicContact CG-CD2 3.98Å; P200-L202 WeakPolarHBondContact O-CG 3.16Å; P200-L202 PolarHBondContact O-N 3.2Å; L202-R206 WeakPolarHBondContact CA-O 3.4Å; L202-K207 HydrophobicContact CD2-CB 4.11Å; L202-F239 HydrophobicContact CD1-CB 4.02Å; L202-F239 HydrophobicContact CD1-CD1 4Å; L202-F239 HydrophobicContact CD1-CG 4.38Å; L202-F239 HydrophobicContact CD2-CB 3.61Å; L202-F239 HydrophobicContact CD2-CD1 4.09Å; L202-F239 HydrophobicContact CD2-CG 3.87Å
203	I	91.4	Very high	91.9	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.3	168.6	-61.6	174.1	0	0	0	107.1	Y201 G205 R206 F208 F234 W274 L279 Y282	Y201-I203 HydrophobicContact CD1-CG1 4.21Å; Y201-I203 HydrophobicContact CE1-CD1 4.37Å; Y201-I203 HydrophobicContact CE1-CG1 3.82Å; I203-G205 PolarHBondContact O-N 2.65Å; I203-G205 VanDerWaalsContact O-N 3.15Å; I203-R206 PolarHBondContact N-O 3.45Å; I203-R206 VanDerWaalsContact N-O 3.15Å; I203-R206 PolarHBondContact O-N 2.69Å; I203-F208 HydrophobicContact CD1-CD1 4.11Å; I203-F208 HydrophobicContact CD1-CE1 3.62Å; I203-F208 HydrophobicContact CD1-CZ 3.95Å; I203-F208 HydrophobicContact CG1-CD1 4.21Å; I203-F208 HydrophobicContact CG1-CE1 3.7Å; I203-F208 HydrophobicContact CG1-CZ 4.42Å; I203-F234 HydrophobicContact CB-CE1 3.92Å; I203-F234 HydrophobicContact CD1-CE1 4.02Å; I203-F234 HydrophobicContact CD1-CZ 4.1Å; I203-F234 HydrophobicContact CG1-CE1 4.42Å; I203-F234 HydrophobicContact CG2-CE1 4.37Å; I203-W274 HydrophobicContact CD1-CE3 4.27Å; I203-W274 HydrophobicContact CD1-CZ3 3.81Å; I203-W274 HydrophobicContact CG2-CH2 3.63Å; I203-W274 HydrophobicContact CG2-CZ2 4.3Å; I203-W274 HydrophobicContact CG2-CZ3 4.01Å; I203-L279 HydrophobicContact CD1-CD1 3.67Å; I203-Y282 HydrophobicContact CD1-CD1 4.07Å; I203-Y282 HydrophobicContact CD1-CE1 3.88Å; I203-Y282 HydrophobicContact CG1-CE1 3.85Å; I203-Y282 HydrophobicContact CG2-CE1 4.23Å
204	N	86.6	Confident	92.2	Very high	123 Å²	123	31.8 Å²	31.8	66%	0.658	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.6	-174.6	-60.3	-22.2	0	0	0	113.3	R206	N204-R206 VanDerWaalsContact C-N 3.29Å; N204-R206 PolarHBondContact O-N 2.71Å
205	G	85.9	Confident	92.4	Very high	28 Å²	28	31.3 Å²	31.3	29%	0.289	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	12.4	-178.7	0	0	0	0	0	114.7	I203 R238 F239	I203-G205 PolarHBondContact O-N 2.65Å; I203-G205 VanDerWaalsContact O-N 3.15Å; G205-R238 CarbonylContact O-C 3.44Å; G205-R238 VanDerWaalsContact O-CA 3.24Å; G205-R238 WeakPolarHBondContact O-CA 3.23Å; G205-F239 PolarHBondContact O-N 2.62Å
206	R	85.8	Confident	92.7	Very high	93 Å²	93	26 Å²	26	35%	0.351	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.1	179.2	-60.8	179.7	-176.5	-139.2	0.7	111.2	L202 I203 N204 F234 S235 G236	L202-R206 WeakPolarHBondContact CA-O 3.4Å; I203-R206 PolarHBondContact N-O 3.45Å; I203-R206 VanDerWaalsContact N-O 3.15Å; I203-R206 PolarHBondContact O-N 2.69Å; N204-R206 VanDerWaalsContact C-N 3.29Å; N204-R206 PolarHBondContact O-N 2.71Å; R206-F234 HydrophobicContact CB-CD1 4.42Å; R206-S235 PolarHBondContact NH1-O 3.36Å; R206-G236 PolarHBondContact NH1-O 3.06Å; R206-G236 VanDerWaalsContact NH1-O 3.12Å
207	K	90.3	Very high	92.9	Very high	14 Å²	14	27 Å²	27	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.7	171.9	-178.1	-179.6	-180	-175.1	0	109.6	Y196 P200 L202 S235 F239 H253 T255 L329	Y196-K207 PolarHBondContact OH-NZ 2.83Å; P200-K207 HydrophobicContact CB-CG 4.2Å; P200-K207 HydrophobicContact CG-CD 4.23Å; P200-K207 HydrophobicContact CG-CG 4.16Å; L202-K207 HydrophobicContact CD2-CB 4.11Å; K207-S235 PolarHBondContact N-OG 2.87Å; K207-S235 PolarHBondContact O-N 2.91Å; K207-S235 PolarHBondContact O-OG 2.82Å; K207-F239 HydrophobicContact CB-CB 4.41Å; K207-F239 HydrophobicContact CB-CD2 3.98Å; K207-F239 HydrophobicContact CB-CG 4.49Å; K207-F239 HydrophobicContact CD-CD2 4.08Å; K207-F239 HydrophobicContact CD-CE2 4.09Å; K207-H253 PolarHBondContact NZ-O 3.04Å; K207-T255 HydrophobicContact CG-CG2 4.37Å; K207-L329 HydrophobicContact CG-CD1 4.46Å
208	F	92.4	Very high	93.1	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.1	171.8	66	-81.3	0	0	0	111.5	Y201 I203 L210 A232 R233 F234 L279 L329 L330	Y201-F208 AromaticContact CD1-CE1 3.73Å; Y201-F208 HydrophobicContact CD1-CE1 3.73Å; Y201-F208 AromaticContact CD1-CZ 3.79Å; Y201-F208 HydrophobicContact CD1-CZ 3.79Å; Y201-F208 VanDerWaalsContact O-CE1 3.26Å; Y201-F208 WeakPolarHBondContact O-CE1 3.47Å; I203-F208 HydrophobicContact CD1-CD1 4.11Å; I203-F208 HydrophobicContact CD1-CE1 3.62Å; I203-F208 HydrophobicContact CD1-CZ 3.95Å; I203-F208 HydrophobicContact CG1-CD1 4.21Å; I203-F208 HydrophobicContact CG1-CE1 3.7Å; I203-F208 HydrophobicContact CG1-CZ 4.42Å; F208-L210 HydrophobicContact CD2-CD2 3.82Å; F208-L210 HydrophobicContact CD2-CG 4.5Å; F208-L210 HydrophobicContact CE2-CD2 3.72Å; F208-L210 HydrophobicContact CE2-CG 4.28Å; F208-A232 HydrophobicContact CD2-CB 3.88Å; F208-R233 CarbonylContact C-O 3.54Å; F208-R233 WeakPolarHBondContact CA-O 3.31Å; F208-R233 WeakPolarHBondContact CB-O 3.27Å; F208-F234 HydrophobicContact CB-CD1 3.58Å; F208-F234 HydrophobicContact CB-CE1 3.68Å; F208-F234 HydrophobicContact CB-CG 4.05Å; F208-F234 HydrophobicContact CB-CZ 4.28Å; F208-F234 HydrophobicContact CD1-CD1 4.26Å; F208-F234 AromaticContact CD1-CE1 3.74Å; F208-F234 HydrophobicContact CD1-CE1 3.74Å; F208-F234 HydrophobicContact CG-CD1 4.19Å; F208-F234 AromaticContact CG-CE1 3.8Å; F208-F234 HydrophobicContact CG-CE1 3.8Å; F208-F234 HydrophobicContact CG-CZ 4.31Å; F208-L279 HydrophobicContact CE2-CD1 4.17Å; F208-L279 HydrophobicContact CE2-CD2 4.43Å; F208-L279 HydrophobicContact CZ-CD1 4.32Å; F208-L329 WeakPolarHBondContact O-CD1 3.38Å; F208-L330 HydrophobicContact CE2-CD1 4.38Å; F208-L330 HydrophobicContact CZ-CD1 4.25Å
209	D	94	Very high	93.4	Very high	9 Å²	9	24 Å²	24	5%	0.048	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	161.3	165.9	77.6	-102.4	0	0	0	109.7	A232 R233 T255 I328	D209-A232 CarbonylContact O-C 3.53Å; D209-A232 WeakPolarHBondContact O-CA 3.35Å; D209-R233 VanDerWaalsContact CG-NE 3.34Å; D209-R233 PolarHBondContact N-O 3.09Å; D209-R233 PolarHBondContact O-N 3.32Å; D209-R233 IonicContact OD1-CZ 3.19Å; D209-R233 IonicContact OD1-NE 2.69Å; D209-R233 PolarHBondContact OD1-NE 2.9Å; D209-R233 IonicContact OD1-NH2 2.96Å; D209-R233 PolarHBondContact OD1-NH2 3.36Å; D209-R233 IonicContact OD2-CZ 3.78Å; D209-R233 IonicContact OD2-NE 3.44Å; D209-R233 PolarHBondContact OD2-NE 3.35Å; D209-R233 IonicContact OD2-NH2 3.05Å; D209-R233 PolarHBondContact OD2-NH2 3.29Å; D209-T255 WeakPolarHBondContact OD1-CB 3.4Å; D209-T255 PolarHBondContact OD1-OG1 3.01Å; D209-I328 CarbonylContact C-O 3.49Å
210	L	95.3	Very high	93.5	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.2	176.4	-53.8	-179.1	0	0	0	110.1	F208 V212 A232 M276 L279 M299 Y326 D327 I328 L330	F208-L210 HydrophobicContact CD2-CD2 3.82Å; F208-L210 HydrophobicContact CD2-CG 4.5Å; F208-L210 HydrophobicContact CE2-CD2 3.72Å; F208-L210 HydrophobicContact CE2-CG 4.28Å; L210-V212 HydrophobicContact CB-CG2 4.47Å; L210-A232 HydrophobicContact CD2-CB 3.63Å; L210-M276 HydrophobicContact CB-CE 4.31Å; L210-M276 HydrophobicContact CD1-CE 4.47Å; L210-M276 HydrophobicContact CD2-CE 4.34Å; L210-L279 HydrophobicContact CD1-CD2 4.17Å; L210-L279 HydrophobicContact CD2-CD2 3.27Å; L210-L279 HydrophobicContact CG-CD2 4.36Å; L210-M299 HydrophobicContact CD1-CE 3.75Å; L210-M299 HydrophobicContact CD1-SD 4.34Å; L210-Y326 VanDerWaalsContact O-O 3.1Å; L210-D327 CarbonylContact O-C 3.59Å; L210-D327 VanDerWaalsContact O-CA 3.31Å; L210-D327 WeakPolarHBondContact O-CA 3.33Å; L210-I328 HydrophobicContact CB-CB 4.21Å; L210-I328 PolarHBondContact N-O 3.02Å; L210-I328 PolarHBondContact O-N 3.37Å; L210-L330 HydrophobicContact CD1-CD1 4.39Å; L210-L330 HydrophobicContact CD1-CD2 4.33Å; L210-L330 HydrophobicContact CD1-CG 4.27Å
211	R	95.3	Very high	93.5	Very high	15 Å²	15	27.6 Å²	27.6	6%	0.057	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.7	163.1	176.8	56.7	54.6	74.9	-5.5	109.5	Y213 G230 F231 Y326 D327 N342	R211-Y213 HydrophobicContact CG-CE1 4.37Å; R211-Y213 HydrophobicContact CG-CE2 3.94Å; R211-G230 WeakPolarHBondContact O-CA 3.37Å; R211-F231 HydrophobicContact CB-CD1 4.28Å; R211-F231 HydrophobicContact CB-CD2 4Å; R211-F231 HydrophobicContact CB-CE1 3.97Å; R211-F231 HydrophobicContact CB-CE2 3.63Å; R211-F231 HydrophobicContact CB-CG 4.32Å; R211-F231 HydrophobicContact CB-CZ 3.63Å; R211-F231 HydrophobicContact CG-CD1 4.4Å; R211-F231 HydrophobicContact CG-CE1 3.73Å; R211-F231 HydrophobicContact CG-CE2 4.12Å; R211-F231 HydrophobicContact CG-CZ 3.56Å; R211-F231 PolarHBondContact N-O 3.11Å; R211-F231 PolarHBondContact O-N 3.09Å; R211-F231 VanDerWaalsContact O-N 3.09Å; R211-Y326 WeakPolarHBondContact CA-O 3.1Å; R211-D327 IonicContact CZ-OD1 3.2Å; R211-D327 IonicContact NE-OD1 3.16Å; R211-D327 PolarHBondContact NE-OD1 3.44Å; R211-D327 VanDerWaalsContact NH2-CG 3.34Å; R211-D327 IonicContact NH2-OD1 3.42Å; R211-D327 PolarHBondContact NH2-OD1 2.93Å; R211-D327 IonicContact NH2-OD2 4Å; R211-D327 PolarHBondContact NH2-OD2 3.35Å; R211-D327 VanDerWaalsContact NH2-OD2 3.11Å; R211-N342 PolarHBondContact NH2-ND2 3.11Å
212	V	96.5	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145	174.8	-175.3	0	0	0	0	109.6	L210 L226 M276 M299 F303 G325 Y326 L415	L210-V212 HydrophobicContact CB-CG2 4.47Å; V212-L226 HydrophobicContact CG1-CD1 3.59Å; V212-M276 HydrophobicContact CG2-CE 3.81Å; V212-M299 HydrophobicContact CG2-CE 3.95Å; V212-F303 HydrophobicContact CB-CE1 4.43Å; V212-F303 HydrophobicContact CB-CZ 3.93Å; V212-F303 HydrophobicContact CG1-CE1 4.45Å; V212-F303 HydrophobicContact CG1-CE2 4.03Å; V212-F303 HydrophobicContact CG1-CZ 3.69Å; V212-F303 HydrophobicContact CG2-CZ 4.14Å; V212-G325 CarbonylContact O-C 2.81Å; V212-G325 WeakPolarHBondContact O-CA 3.43Å; V212-Y326 PolarHBondContact N-O 2.77Å; V212-Y326 PolarHBondContact O-N 3.03Å; V212-L415 HydrophobicContact CG1-CD1 3.88Å; V212-L415 HydrophobicContact CG1-CD2 3.96Å; V212-L415 HydrophobicContact CG2-CD2 4.12Å
213	Y	97.2	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.1	-177.8	-63.8	-82.5	0	0	0	111.5	R211 Y227 F231 L323 Y324 P345 M357 L361	R211-Y213 HydrophobicContact CG-CE1 4.37Å; R211-Y213 HydrophobicContact CG-CE2 3.94Å; Y213-Y227 PolarHBondContact O-N 3.44Å; Y213-F231 HydrophobicContact CE2-CD1 4.49Å; Y213-F231 HydrophobicContact CE2-CE1 4.05Å; Y213-F231 WeakPolarHBondContact OH-CE1 3.48Å; Y213-L323 HydrophobicContact CD1-CD1 4.45Å; Y213-Y324 WeakPolarHBondContact CA-O 3.24Å; Y213-P345 HydrophobicContact CD1-CG 4.37Å; Y213-P345 HydrophobicContact CE1-CB 3.94Å; Y213-P345 HydrophobicContact CE1-CG 3.99Å; Y213-M357 HydrophobicContact CE2-CE 4.16Å; Y213-M357 HydrophobicContact CE2-SD 4.12Å; Y213-L361 HydrophobicContact CD1-CD1 4.49Å; Y213-L361 HydrophobicContact CD1-CD2 3.59Å; Y213-L361 HydrophobicContact CD2-CD1 4.29Å; Y213-L361 HydrophobicContact CD2-CD2 3.79Å; Y213-L361 HydrophobicContact CE1-CD2 3.61Å; Y213-L361 HydrophobicContact CE2-CD2 3.84Å; Y213-L361 HydrophobicContact CG-CD1 3.96Å; Y213-L361 HydrophobicContact CG-CD2 3.65Å; Y213-L361 HydrophobicContact CG-CG 4.49Å
214	V	97.8	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.1	177.6	178.4	0	0	0	0	108.5	V216 W225 L226 F303 L307 Y324 Y326 M388	V214-V216 HydrophobicContact CG1-CG2 4.5Å; V214-W225 CarbonylContact C-O 3.55Å; V214-W225 WeakPolarHBondContact CA-O 3.36Å; V214-L226 HydrophobicContact CG2-CD1 3.89Å; V214-F303 HydrophobicContact CG2-CB 4.4Å; V214-F303 HydrophobicContact CG2-CD1 4.29Å; V214-F303 HydrophobicContact CG2-CD2 4.41Å; V214-F303 HydrophobicContact CG2-CG 4.12Å; V214-L307 HydrophobicContact CG1-CD1 4.08Å; V214-Y324 PolarHBondContact N-O 3.47Å; V214-Y324 PolarHBondContact O-N 2.95Å; V214-Y326 HydrophobicContact CB-CD2 3.99Å; V214-Y326 HydrophobicContact CB-CE2 3.81Å; V214-Y326 HydrophobicContact CG1-CE2 4.41Å; V214-Y326 HydrophobicContact CG2-CD2 3.75Å; V214-Y326 HydrophobicContact CG2-CE2 3.87Å; V214-M388 HydrophobicContact CG1-SD 4.48Å
215	L	97.7	Very high	94.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127	177.5	171.5	65.4	0	0	0	109.4	T217 A224 W225 F321 E322 L323 T365 V368 Y385	L215-T217 HydrophobicContact CD2-CG2 4.37Å; L215-T217 HydrophobicContact CG-CG2 4.22Å; L215-A224 CarbonylContact O-C 3.51Å; L215-A224 WeakPolarHBondContact O-CA 3.37Å; L215-W225 HydrophobicContact CB-CB 4.24Å; L215-W225 PolarHBondContact N-O 3.2Å; L215-W225 PolarHBondContact O-N 3.07Å; L215-F321 HydrophobicContact CD1-CD2 3.76Å; L215-E322 WeakPolarHBondContact CA-O 3.42Å; L215-L323 HydrophobicContact CB-CD1 4.26Å; L215-T365 HydrophobicContact CD1-CG2 3.96Å; L215-T365 HydrophobicContact CD2-CG2 4.03Å; L215-V368 HydrophobicContact CD2-CB 3.74Å; L215-V368 HydrophobicContact CD2-CG1 3.57Å; L215-V368 HydrophobicContact CD2-CG2 4.29Å; L215-Y385 HydrophobicContact CB-CD1 4.27Å; L215-Y385 HydrophobicContact CB-CE1 3.53Å; L215-Y385 HydrophobicContact CD2-CE1 4.22Å; L215-Y385 HydrophobicContact CD2-CE2 4.26Å
216	V	97.3	Very high	95.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119	174.2	-179.5	0	0	0	0	108.7	F84 V214 S218 Y219 L222 K223 A224 L307 F321 E322 Y324	F84-V216 HydrophobicContact CE2-CB 4.37Å; F84-V216 HydrophobicContact CE2-CG1 4.14Å; F84-V216 HydrophobicContact CZ-CG1 4.4Å; V214-V216 HydrophobicContact CG1-CG2 4.5Å; V216-S218 WeakPolarHBondContact CG1-O 3.42Å; V216-Y219 HydrophobicContact CB-CE2 4.36Å; V216-Y219 HydrophobicContact CG1-CD2 3.9Å; V216-Y219 HydrophobicContact CG1-CE1 4.31Å; V216-Y219 HydrophobicContact CG1-CE2 3.59Å; V216-Y219 HydrophobicContact CG1-CG 4.39Å; V216-L222 HydrophobicContact CG1-CD1 4.3Å; V216-K223 WeakPolarHBondContact CA-O 3.48Å; V216-A224 HydrophobicContact CG2-CB 4.39Å; V216-L307 HydrophobicContact CG2-CD1 3.88Å; V216-L307 HydrophobicContact CG2-CD2 3.65Å; V216-L307 HydrophobicContact CG2-CG 4.43Å; V216-F321 CarbonylContact O-C 3.49Å; V216-F321 WeakPolarHBondContact O-CA 3.3Å; V216-E322 PolarHBondContact N-O 3.43Å; V216-E322 PolarHBondContact O-N 3.37Å; V216-Y324 HydrophobicContact CB-CE2 4.2Å; V216-Y324 HydrophobicContact CG2-CD2 3.9Å; V216-Y324 HydrophobicContact CG2-CE2 3.78Å
217	T	95.8	Very high	95.6	Very high	36 Å²	36	15.3 Å²	15.3	22%	0.221	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-15.1	-179.9	57.4	0	0	0	0	112.8	L215 K223 V368	L215-T217 HydrophobicContact CD2-CG2 4.37Å; L215-T217 HydrophobicContact CG-CG2 4.22Å; T217-K223 PolarHBondContact N-O 2.81Å; T217-K223 VanDerWaalsContact N-O 3.07Å; T217-K223 WeakPolarHBondContact OG1-CB 3.48Å; T217-K223 WeakPolarHBondContact OG1-CD 3.48Å; T217-V368 HydrophobicContact CG2-CG1 3.82Å
218	S	95.4	Very high	95.7	Very high	23 Å²	23	15 Å²	15	16%	0.161	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	147.8	174.2	-178.1	0	0	0	0	110	V216 V220 P221 L222 K223 N316	V216-S218 WeakPolarHBondContact CG1-O 3.42Å; S218-V220 VanDerWaalsContact OG-C 3.26Å; S218-V220 PolarHBondContact OG-N 2.79Å; S218-V220 VanDerWaalsContact OG-N 3.11Å; S218-V220 PolarHBondContact OG-O 3.1Å; S218-V220 VanDerWaalsContact OG-O 3.09Å; S218-P221 CarbonylContact C-O 3.45Å; S218-P221 VanDerWaalsContact CB-O 3.29Å; S218-P221 WeakPolarHBondContact CB-O 3.33Å; S218-P221 PolarHBondContact OG-O 3.5Å; S218-P221 VanDerWaalsContact OG-O 3.11Å; S218-L222 CarbonylContact O-C 3.46Å; S218-L222 VanDerWaalsContact O-CA 3.32Å; S218-L222 WeakPolarHBondContact O-CA 3.18Å; S218-K223 PolarHBondContact O-N 2.95Å; S218-N316 PolarHBondContact OG-OD1 2.95Å
219	Y	94.9	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-16.4	166.9	-79.5	-81.7	0	0	0	112.6	F84 V216 P221 L222 L307 V310 Q311 I314 N316 Y324	F84-Y219 HydrophobicContact CD1-CD2 4.29Å; F84-Y219 HydrophobicContact CD2-CD2 4.04Å; F84-Y219 AromaticContact CD2-CE2 3.62Å; F84-Y219 HydrophobicContact CD2-CE2 3.62Å; F84-Y219 AromaticContact CE1-CD2 3.99Å; F84-Y219 HydrophobicContact CE1-CD2 3.99Å; F84-Y219 AromaticContact CE2-CD2 3.73Å; F84-Y219 HydrophobicContact CE2-CD2 3.73Å; F84-Y219 AromaticContact CE2-CE2 3.49Å; F84-Y219 HydrophobicContact CE2-CE2 3.49Å; F84-Y219 VanDerWaalsContact CE2-CE2 3.49Å; F84-Y219 HydrophobicContact CG-CD2 4.33Å; F84-Y219 HydrophobicContact CG-CE2 4.24Å; F84-Y219 AromaticContact CZ-CD2 3.72Å; F84-Y219 HydrophobicContact CZ-CD2 3.72Å; F84-Y219 AromaticContact CZ-CE2 3.99Å; F84-Y219 HydrophobicContact CZ-CE2 3.99Å; V216-Y219 HydrophobicContact CB-CE2 4.36Å; V216-Y219 HydrophobicContact CG1-CD2 3.9Å; V216-Y219 HydrophobicContact CG1-CE1 4.31Å; V216-Y219 HydrophobicContact CG1-CE2 3.59Å; V216-Y219 HydrophobicContact CG1-CG 4.39Å; Y219-P221 VanDerWaalsContact C-C 3.43Å; Y219-P221 CarbonylContact O-C 3.46Å; Y219-L222 HydrophobicContact CD1-CD1 3.7Å; Y219-L222 HydrophobicContact CE1-CD1 3.97Å; Y219-L222 HydrophobicContact CG-CD1 4.42Å; Y219-L222 PolarHBondContact O-N 2.84Å; Y219-L307 HydrophobicContact CE1-CD2 4.21Å; Y219-L307 WeakPolarHBondContact OH-CD2 3.37Å; Y219-V310 HydrophobicContact CE1-CG2 3.96Å; Y219-Q311 HydrophobicContact CD1-CB 4.37Å; Y219-Q311 HydrophobicContact CD1-CG 4.4Å; Y219-Q311 WeakPolarHBondContact O-CG 3.45Å; Y219-Q311 PolarHBondContact O-NE2 2.91Å; Y219-I314 HydrophobicContact CD1-CB 4.5Å; Y219-I314 HydrophobicContact CD1-CD1 4.4Å; Y219-I314 HydrophobicContact CD2-CB 4.12Å; Y219-I314 HydrophobicContact CD2-CD1 4.24Å; Y219-I314 HydrophobicContact CD2-CG2 3.46Å; Y219-I314 VanDerWaalsContact CD2-CG2 3.46Å; Y219-I314 HydrophobicContact CE1-CD1 3.75Å; Y219-I314 HydrophobicContact CE2-CB 4.29Å; Y219-I314 HydrophobicContact CE2-CD1 3.55Å; Y219-I314 HydrophobicContact CE2-CG1 4.49Å; Y219-I314 HydrophobicContact CE2-CG2 3.73Å; Y219-I314 HydrophobicContact CG-CB 4.22Å; Y219-I314 HydrophobicContact CG-CG2 3.98Å; Y219-I314 VanDerWaalsContact OH-CD1 3.31Å; Y219-I314 WeakPolarHBondContact OH-CD1 3.38Å; Y219-N316 PolarHBondContact N-OD1 2.9Å; Y219-Y324 VanDerWaalsContact OH-CE2 3.24Å; Y219-Y324 WeakPolarHBondContact OH-CE2 3.26Å; Y219-Y324 PolarHBondContact OH-OH 3.46Å
220	V	92.9	Very high	95.7	Very high	97 Å²	97	15.4 Å²	15.4	59%	0.588	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.9	95.6	179.9	-174.2	0	0	0	0	110	S218 N316	S218-V220 VanDerWaalsContact OG-C 3.26Å; S218-V220 PolarHBondContact OG-N 2.79Å; S218-V220 VanDerWaalsContact OG-N 3.11Å; S218-V220 PolarHBondContact OG-O 3.1Å; S218-V220 VanDerWaalsContact OG-O 3.09Å; V220-N316 HydrophobicContact CB-CB 4.08Å; V220-N316 HydrophobicContact CG2-CB 3.71Å; V220-N316 PolarHBondContact N-OD1 2.77Å
221	P	93.7	Very high	95.5	Very high	66 Å²	66	15.9 Å²	15.9	43%	0.429	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	cis	-70.5	154.1	-11.3	31.2	-34.8	0	0	0	112.2	S218 Y219 K223 N391	S218-P221 CarbonylContact C-O 3.45Å; S218-P221 VanDerWaalsContact CB-O 3.29Å; S218-P221 WeakPolarHBondContact CB-O 3.33Å; S218-P221 PolarHBondContact OG-O 3.5Å; S218-P221 VanDerWaalsContact OG-O 3.11Å; Y219-P221 VanDerWaalsContact C-C 3.43Å; Y219-P221 CarbonylContact O-C 3.46Å; P221-K223 PolarHBondContact O-N 2.82Å; P221-N391 HydrophobicContact CB-CB 3.74Å; P221-N391 WeakPolarHBondContact CB-OD1 3.48Å
222	L	95.8	Very high	95.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	122.3	178.7	179.6	62.7	0	0	0	110.3	V216 S218 Y219 L307 Q308 Q311 W389 N391	V216-L222 HydrophobicContact CG1-CD1 4.3Å; S218-L222 CarbonylContact O-C 3.46Å; S218-L222 VanDerWaalsContact O-CA 3.32Å; S218-L222 WeakPolarHBondContact O-CA 3.18Å; Y219-L222 HydrophobicContact CD1-CD1 3.7Å; Y219-L222 HydrophobicContact CE1-CD1 3.97Å; Y219-L222 HydrophobicContact CG-CD1 4.42Å; Y219-L222 PolarHBondContact O-N 2.84Å; L222-L307 HydrophobicContact CD1-CB 4.4Å; L222-L307 HydrophobicContact CD2-CB 4.25Å; L222-Q308 HydrophobicContact CD2-CG 4.2Å; L222-Q311 HydrophobicContact CB-CG 4.35Å; L222-W389 HydrophobicContact CD2-CG 4.39Å; L222-W389 VanDerWaalsContact O-CD1 3.29Å; L222-N391 PolarHBondContact O-N 2.87Å
223	K	96.4	Very high	95.1	Very high	47 Å²	47	16 Å²	16	20%	0.204	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.9	175.8	-164.8	-179.9	-141	-176.8	0	109.6	V216 T217 S218 P221 W225 L387 W389	V216-K223 WeakPolarHBondContact CA-O 3.48Å; T217-K223 PolarHBondContact N-O 2.81Å; T217-K223 VanDerWaalsContact N-O 3.07Å; T217-K223 WeakPolarHBondContact OG1-CB 3.48Å; T217-K223 WeakPolarHBondContact OG1-CD 3.48Å; S218-K223 PolarHBondContact O-N 2.95Å; P221-K223 PolarHBondContact O-N 2.82Å; K223-W225 HydrophobicContact CD-CZ2 4.44Å; K223-L387 HydrophobicContact CG-CD1 3.92Å; K223-W389 WeakPolarHBondContact CA-O 3.45Å
224	A	97.4	Very high	94.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.6	-174	0	0	0	0	0	111.4	L215 V216 L307 M388 W389	L215-A224 CarbonylContact O-C 3.51Å; L215-A224 WeakPolarHBondContact O-CA 3.37Å; V216-A224 HydrophobicContact CG2-CB 4.39Å; A224-L307 HydrophobicContact CB-CD1 3.62Å; A224-M388 HydrophobicContact CB-CG 3.99Å; A224-M388 HydrophobicContact CB-SD 4.23Å; A224-M388 VanDerWaalsContact O-CG 3.26Å; A224-M388 WeakPolarHBondContact O-CG 3.22Å; A224-M388 PolarHBondContact O-N 3.34Å; A224-W389 HydrophobicContact CB-CB 4.27Å; A224-W389 PolarHBondContact N-O 3.4Å; A224-W389 PolarHBondContact O-N 3.03Å
225	W	97.5	Very high	93.8	Very high	8 Å²	8	16.7 Å²	16.7	3%	0.03	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.2	-177.9	-53.5	80.6	0	0	0	109.4	V214 L215 K223 V368 E379 V382 Y385 D386 L387	V214-W225 CarbonylContact C-O 3.55Å; V214-W225 WeakPolarHBondContact CA-O 3.36Å; L215-W225 HydrophobicContact CB-CB 4.24Å; L215-W225 PolarHBondContact N-O 3.2Å; L215-W225 PolarHBondContact O-N 3.07Å; K223-W225 HydrophobicContact CD-CZ2 4.44Å; W225-V368 HydrophobicContact CD2-CG1 3.92Å; W225-V368 HydrophobicContact CD2-CG2 4.5Å; W225-V368 HydrophobicContact CE3-CG2 4.48Å; W225-V368 HydrophobicContact CG-CG1 4.13Å; W225-V368 HydrophobicContact CZ2-CG1 3.97Å; W225-E379 WeakPolarHBondContact CH2-O 3.43Å; W225-V382 HydrophobicContact CH2-CG2 4.11Å; W225-V382 HydrophobicContact CZ3-CG2 3.97Å; W225-Y385 HydrophobicContact CB-CD1 3.59Å; W225-Y385 HydrophobicContact CB-CE1 4.32Å; W225-Y385 HydrophobicContact CB-CG 4.18Å; W225-D386 CarbonylContact C-O 3.6Å; W225-D386 VanDerWaalsContact CA-O 3.3Å; W225-D386 WeakPolarHBondContact CA-O 3.22Å; W225-L387 HydrophobicContact CD2-CB 4.27Å; W225-L387 HydrophobicContact CD2-CD1 3.71Å; W225-L387 HydrophobicContact CE3-CB 3.67Å; W225-L387 HydrophobicContact CE3-CD1 4Å; W225-L387 HydrophobicContact CE3-CG 4.42Å; W225-L387 HydrophobicContact CG-CD1 4.31Å; W225-L387 HydrophobicContact CH2-CB 4.1Å; W225-L387 HydrophobicContact CH2-CD1 3.99Å; W225-L387 HydrophobicContact CH2-CD2 4.41Å; W225-L387 HydrophobicContact CH2-CG 4.4Å; W225-L387 HydrophobicContact CZ2-CD1 3.72Å; W225-L387 HydrophobicContact CZ3-CB 3.58Å; W225-L387 HydrophobicContact CZ3-CD1 4.14Å; W225-L387 HydrophobicContact CZ3-CG 4.33Å
226	L	97.3	Very high	92.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.4	175.6	179.8	63.3	0	0	0	108.9	V212 V214 F303 Y385 D386 M388 T413 L415	V212-L226 HydrophobicContact CG1-CD1 3.59Å; V214-L226 HydrophobicContact CG2-CD1 3.89Å; L226-F303 HydrophobicContact CD1-CD2 3.95Å; L226-F303 HydrophobicContact CD1-CE2 3.79Å; L226-Y385 WeakPolarHBondContact O-CA 3.3Å; L226-D386 PolarHBondContact N-O 3.01Å; L226-D386 PolarHBondContact O-N 2.87Å; L226-M388 HydrophobicContact CB-SD 4.19Å; L226-T413 HydrophobicContact CD2-CG2 3.74Å; L226-L415 HydrophobicContact CD2-CB 4.02Å
227	Y	96.3	Very high	91.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134	171.9	-161.1	-115.2	0	0	0	109.8	Y213 D229 R360 L361 D364 G384 Y385 L415	Y213-Y227 PolarHBondContact O-N 3.44Å; Y227-D229 HydrophobicContact CD1-CB 3.95Å; Y227-D229 WeakPolarHBondContact CD1-O 3.33Å; Y227-D229 HydrophobicContact CE1-CB 3.69Å; Y227-D229 PolarHBondContact O-N 3.11Å; Y227-R360 VanDerWaalsContact OH-C 3.31Å; Y227-R360 WeakPolarHBondContact OH-CB 3.3Å; Y227-L361 HydrophobicContact CD1-CB 4.37Å; Y227-L361 HydrophobicContact CD1-CD1 3.47Å; Y227-L361 VanDerWaalsContact CD1-CD1 3.47Å; Y227-L361 HydrophobicContact CD1-CG 4.48Å; Y227-L361 HydrophobicContact CD2-CD1 3.71Å; Y227-L361 HydrophobicContact CE1-CB 3.84Å; Y227-L361 HydrophobicContact CE1-CD1 3.8Å; Y227-L361 HydrophobicContact CE1-CG 4.42Å; Y227-L361 HydrophobicContact CE2-CB 4.45Å; Y227-L361 HydrophobicContact CE2-CD1 4.05Å; Y227-L361 HydrophobicContact CG-CD1 3.41Å; Y227-L361 VanDerWaalsContact CG-CD1 3.41Å; Y227-L361 VanDerWaalsContact CZ-CA 3.49Å; Y227-L361 WeakPolarHBondContact OH-CA 3.48Å; Y227-L361 PolarHBondContact OH-N 3.45Å; Y227-L361 VanDerWaalsContact OH-N 3.16Å; Y227-D364 HydrophobicContact CE2-CB 4.07Å; Y227-G384 WeakPolarHBondContact CD2-O 3.49Å; Y227-Y385 AromaticContact CD2-CD1 3.97Å; Y227-Y385 HydrophobicContact CD2-CD1 3.97Å; Y227-Y385 AromaticContact CD2-CD2 3.72Å; Y227-Y385 HydrophobicContact CD2-CD2 3.72Å; Y227-Y385 AromaticContact CD2-CE1 3.89Å; Y227-Y385 HydrophobicContact CD2-CE1 3.89Å; Y227-Y385 AromaticContact CD2-CE2 3.58Å; Y227-Y385 HydrophobicContact CD2-CE2 3.58Å; Y227-Y385 AromaticContact CD2-CG 3.89Å; Y227-Y385 HydrophobicContact CD2-CG 3.89Å; Y227-Y385 AromaticContact CD2-CZ 3.69Å; Y227-Y385 HydrophobicContact CE2-CD2 4.17Å; Y227-Y385 HydrophobicContact CE2-CE2 4.05Å; Y227-Y385 HydrophobicContact CG-CE1 4.23Å; Y227-L415 WeakPolarHBondContact O-CD1 3.46Å
228	R	93.7	Very high	90.6	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-24.6	-175.9	-74.3	172.1	176.4	-150.2	-3.7	114.1	G384 D386 Y414 G416 D420	R228-G384 WeakPolarHBondContact CB-O 3.28Å; R228-G384 VanDerWaalsContact CG-O 3.23Å; R228-G384 WeakPolarHBondContact CG-O 3.38Å; R228-G384 PolarHBondContact N-O 3.5Å; R228-D386 WeakPolarHBondContact CG-OD2 3.43Å; R228-D386 IonicContact CZ-OD1 3.84Å; R228-D386 IonicContact CZ-OD2 3.16Å; R228-D386 IonicContact NE-OD1 2.63Å; R228-D386 PolarHBondContact NE-OD1 2.91Å; R228-D386 IonicContact NE-OD2 2.78Å; R228-D386 PolarHBondContact NE-OD2 2.8Å; R228-D386 IonicContact NH2-OD1 3.97Å; R228-D386 PolarHBondContact NH2-OD1 3.48Å; R228-D386 IonicContact NH2-OD2 3.23Å; R228-Y414 VanDerWaalsContact NH2-CD2 3.31Å; R228-G416 PolarHBondContact O-N 3.24Å; R228-D420 IonicContact CZ-OD1 3.16Å; R228-D420 IonicContact NH1-OD1 2.74Å; R228-D420 PolarHBondContact NH1-OD1 3.1Å; R228-D420 IonicContact NH2-OD1 3.94Å
229	D	92.2	Very high	89.8	Confident	19 Å²	19	28.2 Å²	28.2	10%	0.102	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	164.4	-179.4	-146.9	-8.7	0	0	0	111.7	Y227 M357	Y227-D229 HydrophobicContact CD1-CB 3.95Å; Y227-D229 WeakPolarHBondContact CD1-O 3.33Å; Y227-D229 HydrophobicContact CE1-CB 3.69Å; Y227-D229 PolarHBondContact O-N 3.11Å; D229-M357 HydrophobicContact CB-CG 4.27Å
230	G	92.9	Very high	88.7	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-168.5	-177.5	0	0	0	0	0	108.6	R211 M276	R211-G230 WeakPolarHBondContact O-CA 3.37Å; G230-M276 PolarHBondContact O-N 3.09Å
231	F	92.6	Very high	87.7	Confident	12 Å²	12	27.7 Å²	27.7	5%	0.053	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146	178.6	54.5	-89.4	0	0	0	113	R211 Y213 R233 K273 W274 M357	R211-F231 HydrophobicContact CB-CD1 4.28Å; R211-F231 HydrophobicContact CB-CD2 4Å; R211-F231 HydrophobicContact CB-CE1 3.97Å; R211-F231 HydrophobicContact CB-CE2 3.63Å; R211-F231 HydrophobicContact CB-CG 4.32Å; R211-F231 HydrophobicContact CB-CZ 3.63Å; R211-F231 HydrophobicContact CG-CD1 4.4Å; R211-F231 HydrophobicContact CG-CE1 3.73Å; R211-F231 HydrophobicContact CG-CE2 4.12Å; R211-F231 HydrophobicContact CG-CZ 3.56Å; R211-F231 PolarHBondContact N-O 3.11Å; R211-F231 PolarHBondContact O-N 3.09Å; R211-F231 VanDerWaalsContact O-N 3.09Å; Y213-F231 HydrophobicContact CE2-CD1 4.49Å; Y213-F231 HydrophobicContact CE2-CE1 4.05Å; Y213-F231 WeakPolarHBondContact OH-CE1 3.48Å; F231-R233 HydrophobicContact CD2-CG 3.57Å; F231-R233 HydrophobicContact CE2-CG 3.48Å; F231-R233 VanDerWaalsContact CE2-CG 3.48Å; F231-K273 HydrophobicContact CD2-CD 4.13Å; F231-K273 HydrophobicContact CD2-CG 4.36Å; F231-W274 CarbonylContact C-O 3.46Å; F231-W274 WeakPolarHBondContact CA-O 3.48Å; F231-W274 WeakPolarHBondContact CB-O 3.2Å; F231-M357 HydrophobicContact CD1-CE 3.54Å; F231-M357 HydrophobicContact CE1-CE 3.71Å
232	A	92.9	Very high	86.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.5	166.2	0	0	0	0	0	109.4	F208 D209 L210 F234 K273 W274 L279	F208-A232 HydrophobicContact CD2-CB 3.88Å; D209-A232 CarbonylContact O-C 3.53Å; D209-A232 WeakPolarHBondContact O-CA 3.35Å; L210-A232 HydrophobicContact CD2-CB 3.63Å; A232-F234 HydrophobicContact CB-CE2 4.01Å; A232-F234 HydrophobicContact CB-CZ 4.21Å; A232-K273 CarbonylContact O-C 3.56Å; A232-K273 WeakPolarHBondContact O-CA 3.43Å; A232-W274 HydrophobicContact CB-CB 4.35Å; A232-W274 PolarHBondContact N-O 2.83Å; A232-W274 PolarHBondContact O-N 3.27Å; A232-L279 HydrophobicContact CB-CD2 4.35Å
233	R	89.6	Confident	84.4	Confident	17 Å²	17	31.8 Å²	31.8	6%	0.064	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.6	174.3	-64.5	177.9	-78.5	-171.5	0.9	109.9	F208 D209 F231 D327	F208-R233 CarbonylContact C-O 3.54Å; F208-R233 WeakPolarHBondContact CA-O 3.31Å; F208-R233 WeakPolarHBondContact CB-O 3.27Å; D209-R233 VanDerWaalsContact CG-NE 3.34Å; D209-R233 PolarHBondContact N-O 3.09Å; D209-R233 PolarHBondContact O-N 3.32Å; D209-R233 IonicContact OD1-CZ 3.19Å; D209-R233 IonicContact OD1-NE 2.69Å; D209-R233 PolarHBondContact OD1-NE 2.9Å; D209-R233 IonicContact OD1-NH2 2.96Å; D209-R233 PolarHBondContact OD1-NH2 3.36Å; D209-R233 IonicContact OD2-CZ 3.78Å; D209-R233 IonicContact OD2-NE 3.44Å; D209-R233 PolarHBondContact OD2-NE 3.35Å; D209-R233 IonicContact OD2-NH2 3.05Å; D209-R233 PolarHBondContact OD2-NH2 3.29Å; F231-R233 HydrophobicContact CD2-CG 3.57Å; F231-R233 HydrophobicContact CE2-CG 3.48Å; F231-R233 VanDerWaalsContact CE2-CG 3.48Å; R233-D327 IonicContact CZ-OD2 3.7Å; R233-D327 IonicContact NH1-OD2 3.34Å; R233-D327 IonicContact NH2-OD1 2.68Å; R233-D327 PolarHBondContact NH2-OD1 2.81Å; R233-D327 IonicContact NH2-OD2 3.9Å; R233-D327 PolarHBondContact NH2-OD2 2.93Å
234	F	86.8	Confident	82.6	Confident	15 Å²	15	30.3 Å²	30.3	7%	0.066	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	146.2	178.7	-64.8	-88.8	0	0	0	112	I203 R206 F208 A232 C272 W274	I203-F234 HydrophobicContact CB-CE1 3.92Å; I203-F234 HydrophobicContact CD1-CE1 4.02Å; I203-F234 HydrophobicContact CD1-CZ 4.1Å; I203-F234 HydrophobicContact CG1-CE1 4.42Å; I203-F234 HydrophobicContact CG2-CE1 4.37Å; R206-F234 HydrophobicContact CB-CD1 4.42Å; F208-F234 HydrophobicContact CB-CD1 3.58Å; F208-F234 HydrophobicContact CB-CE1 3.68Å; F208-F234 HydrophobicContact CB-CG 4.05Å; F208-F234 HydrophobicContact CB-CZ 4.28Å; F208-F234 HydrophobicContact CD1-CD1 4.26Å; F208-F234 AromaticContact CD1-CE1 3.74Å; F208-F234 HydrophobicContact CD1-CE1 3.74Å; F208-F234 HydrophobicContact CG-CD1 4.19Å; F208-F234 AromaticContact CG-CE1 3.8Å; F208-F234 HydrophobicContact CG-CE1 3.8Å; F208-F234 HydrophobicContact CG-CZ 4.31Å; A232-F234 HydrophobicContact CB-CE2 4.01Å; A232-F234 HydrophobicContact CB-CZ 4.21Å; F234-C272 HydrophobicContact CB-CB 4.06Å; F234-C272 WeakPolarHBondContact CD2-O 3.34Å; F234-C272 PolarHBondContact N-O 2.88Å; F234-W274 HydrophobicContact CE2-CB 3.79Å; F234-W274 AromaticContact CE2-CD1 3.77Å; F234-W274 AromaticContact CE2-CD2 3.73Å; F234-W274 HydrophobicContact CE2-CD2 3.73Å; F234-W274 HydrophobicContact CE2-CE3 4.3Å; F234-W274 AromaticContact CE2-CG 3.45Å; F234-W274 HydrophobicContact CE2-CG 3.45Å; F234-W274 VanDerWaalsContact CE2-CG 3.45Å; F234-W274 HydrophobicContact CZ-CB 4.36Å; F234-W274 AromaticContact CZ-CD2 3.66Å; F234-W274 HydrophobicContact CZ-CD2 3.66Å; F234-W274 AromaticContact CZ-CE3 3.81Å; F234-W274 HydrophobicContact CZ-CE3 3.81Å; F234-W274 AromaticContact CZ-CG 3.91Å; F234-W274 HydrophobicContact CZ-CG 3.91Å; F234-W274 HydrophobicContact CZ-CZ3 4.43Å
235	S	81.9	Confident	80.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-64.4	144.5	162.4	47.3	0	0	0	0	110.9	R206 K207 T237	R206-S235 PolarHBondContact NH1-O 3.36Å; K207-S235 PolarHBondContact N-OG 2.87Å; K207-S235 PolarHBondContact O-N 2.91Å; K207-S235 PolarHBondContact O-OG 2.82Å; S235-T237 VanDerWaalsContact C-N 3.27Å; S235-T237 PolarHBondContact O-N 3.02Å; S235-T237 PolarHBondContact OG-O 3.42Å
236	G	69.7	Low	78.3	Confident	27 Å²	27	41.4 Å²	41.4	28%	0.278	22%	0.224	S	C	.	.	S	Bend	trans	-69.2	-27.4	176.8	0	0	0	0	0	112.9	R206	R206-G236 PolarHBondContact NH1-O 3.06Å; R206-G236 VanDerWaalsContact NH1-O 3.12Å
237	T	73.4	Confident	76	Confident	60 Å²	60	51.2 Å²	51.2	37%	0.368	27%	0.267	S	S	.	.	S	Bend	trans	-113.4	155	-174.7	-50.6	0	0	0	0	111.1	S235 M252	S235-T237 VanDerWaalsContact C-N 3.27Å; S235-T237 PolarHBondContact O-N 3.02Å; S235-T237 PolarHBondContact OG-O 3.42Å; T237-M252 HydrophobicContact CG2-CG 3.66Å; T237-M252 HydrophobicContact CG2-SD 4.13Å
238	R	79.1	Confident	73.7	Confident	182 Å²	182	54.7 Å²	54.7	69%	0.687	29%	0.291	S	S	*	.			trans	-63.8	145.7	172.2	-72.5	-175.8	174.1	175.3	1.2	110.7	G205 M252	G205-R238 CarbonylContact O-C 3.44Å; G205-R238 VanDerWaalsContact O-CA 3.24Å; G205-R238 WeakPolarHBondContact O-CA 3.23Å; R238-M252 WeakPolarHBondContact O-CE 3.19Å
239	F	78.9	Confident	71.9	Confident	32 Å²	32	56 Å²	56	14%	0.14	30%	0.298	C	S	.	.			trans	-76.2	132.6	180	-177.2	-99.6	0	0	0	110.8	Y196 E198 P200 L202 G205 K207 L241 H253	Y196-F239 HydrophobicContact CE1-CE2 4.46Å; Y196-F239 HydrophobicContact CE1-CZ 4.4Å; E198-F239 WeakPolarHBondContact O-CE1 3.33Å; E198-F239 WeakPolarHBondContact O-CZ 3.24Å; P200-F239 HydrophobicContact CG-CD1 4.26Å; P200-F239 HydrophobicContact CG-CD2 4.19Å; P200-F239 HydrophobicContact CG-CE1 3.89Å; P200-F239 HydrophobicContact CG-CE2 3.8Å; P200-F239 HydrophobicContact CG-CG 4.39Å; P200-F239 HydrophobicContact CG-CZ 3.63Å; L202-F239 HydrophobicContact CD1-CB 4.02Å; L202-F239 HydrophobicContact CD1-CD1 4Å; L202-F239 HydrophobicContact CD1-CG 4.38Å; L202-F239 HydrophobicContact CD2-CB 3.61Å; L202-F239 HydrophobicContact CD2-CD1 4.09Å; L202-F239 HydrophobicContact CD2-CG 3.87Å; G205-F239 PolarHBondContact O-N 2.62Å; K207-F239 HydrophobicContact CB-CB 4.41Å; K207-F239 HydrophobicContact CB-CD2 3.98Å; K207-F239 HydrophobicContact CB-CG 4.49Å; K207-F239 HydrophobicContact CD-CD2 4.08Å; K207-F239 HydrophobicContact CD-CE2 4.09Å; F239-L241 HydrophobicContact CE1-CD1 4.49Å; F239-L241 HydrophobicContact CE1-CD2 4.18Å; F239-L241 HydrophobicContact CE1-CG 3.96Å; F239-L241 HydrophobicContact CE2-CD2 4.46Å; F239-L241 HydrophobicContact CZ-CD2 3.69Å; F239-L241 HydrophobicContact CZ-CG 4Å; F239-H253 AromaticContact CE2-CE1 3.94Å; F239-H253 AromaticContact CE2-ND1 3.69Å
240	S	72.7	Confident	70.2	Confident	41 Å²	41	57.4 Å²	57.4	29%	0.287	31%	0.308	S	S	.	.			trans	-148.7	147.5	169.5	-174.5	0	0	0	0	109.8	S242 H253	S240-S242 PolarHBondContact OG-N 3.33Å; S240-S242 PolarHBondContact OG-OG 3.34Å; S240-H253 PolarHBondContact O-CE1 3.37Å; S240-H253 VanDerWaalsContact O-CE1 3.29Å
241	L	71.4	Confident	68.4	Low	46 Å²	46	59.8 Å²	59.8	24%	0.241	32%	0.317	C	S	.	.	S	Bend	trans	-102.2	-0	172.7	-65.1	175.9	0	0	0	112.7	I146 Y196 E198 F239 T243	I146-L241 HydrophobicContact CD1-CD2 4Å; Y196-L241 HydrophobicContact CE1-CD2 4.27Å; E198-L241 HydrophobicContact CB-CD1 4.06Å; F239-L241 HydrophobicContact CE1-CD1 4.49Å; F239-L241 HydrophobicContact CE1-CD2 4.18Å; F239-L241 HydrophobicContact CE1-CG 3.96Å; F239-L241 HydrophobicContact CE2-CD2 4.46Å; F239-L241 HydrophobicContact CZ-CD2 3.69Å; F239-L241 HydrophobicContact CZ-CG 4Å; L241-T243 PolarHBondContact O-N 3.49Å
242	S	62.6	Low	66.6	Low	98 Å²	98	60.5 Å²	60.5	69%	0.685	32%	0.321	S	S	*	.	S	Bend	trans	-68.1	-19.5	-176.4	58.2	0	0	0	0	113.9	S240	S240-S242 PolarHBondContact OG-N 3.33Å; S240-S242 PolarHBondContact OG-OG 3.34Å
243	T	57	Low	65.3	Low	53 Å²	53	60.7 Å²	60.7	33%	0.325	32%	0.322	S	S	.	.			trans	-138.4	64.3	-167	-18.5	0	0	0	0	111.3	L241 D245 D246	L241-T243 PolarHBondContact O-N 3.49Å; T243-D245 PolarHBondContact O-N 2.95Å; T243-D246 HydrophobicContact CG2-CB 3.81Å; T243-D246 WeakPolarHBondContact CG2-OD2 3.42Å
244	I	57.8	Low	64.3	Low	16 Å²	16	60.6 Å²	60.6	8%	0.082	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.6	178.5	-57.5	174.1	0	0	0	111.8	I146 L162 I249	I146-I244 HydrophobicContact CD1-CD1 3.38Å; I146-I244 HydrophobicContact CG1-CD1 3.85Å; I146-I244 HydrophobicContact CG2-CD1 4.5Å; L162-I244 HydrophobicContact CB-CG2 4.13Å; I244-I249 WeakPolarHBondContact O-CD1 3.43Å
245	D	54.1	Low	62.9	Low	151 Å²	151	60.4 Å²	60.4	81%	0.807	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.2	-175.3	-61.5	-24.4	0	0	0	113.9	T243	T243-D245 PolarHBondContact O-N 2.95Å
246	D	52	Low	62.3	Low	90 Å²	90	61.6 Å²	61.6	48%	0.481	33%	0.329	S	S	.	.	S	Bend	trans	-89.1	141.3	-175.7	-92.2	1.5	0	0	0	114.3	T243 C248 I249	T243-D246 HydrophobicContact CG2-CB 3.81Å; T243-D246 WeakPolarHBondContact CG2-OD2 3.42Å; D246-C248 PolarHBondContact O-N 3.47Å; D246-I249 WeakPolarHBondContact O-CD1 3.32Å; D246-I249 WeakPolarHBondContact O-CG1 3.31Å; D246-I249 PolarHBondContact O-N 2.85Å
247	K	48.3	Very low	61.7	Low	207 Å²	207	62.3 Å²	62.3	90%	0.9	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-10.2	176.9	-66.5	178.6	179.1	177.1	0	115.4
248	C	48.1	Very low	60.9	Low	74 Å²	74	61.6 Å²	61.6	50%	0.5	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.5	174.2	-64.8	0	0	0	0	115.1	D246 P250 Y251	D246-C248 PolarHBondContact O-N 3.47Å; C248-P250 VanDerWaalsContact C-CD 3.41Å; C248-Y251 PolarHBondContact O-N 3.18Å
249	I	55.5	Low	59.8	Low	36 Å²	36	53.7 Å²	53.7	19%	0.185	30%	0.297	C	S	.	.	H	α-helix	trans	-47.2	-46	-177.6	-70.1	145.9	0	0	0	115	L162 I244 D246 Y251 M252 H253	L162-I249 HydrophobicContact CD1-CG2 3.68Å; I244-I249 WeakPolarHBondContact O-CD1 3.43Å; D246-I249 WeakPolarHBondContact O-CD1 3.32Å; D246-I249 WeakPolarHBondContact O-CG1 3.31Å; D246-I249 PolarHBondContact O-N 2.85Å; I249-Y251 PolarHBondContact O-N 3.4Å; I249-M252 PolarHBondContact O-N 2.66Å; I249-H253 PolarHBondContact O-CD2 3.16Å; I249-H253 PolarHBondContact O-N 3.43Å; I249-H253 VanDerWaalsContact O-N 3.09Å
250	P	57.6	Low	58.7	Low	48 Å²	48	52.5 Å²	52.5	31%	0.312	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-35.3	-174.5	-23.3	34.4	0	0	0	111.9	C248 L254 V259	C248-P250 VanDerWaalsContact C-CD 3.41Å; P250-L254 HydrophobicContact CB-CD1 4.2Å; P250-L254 WeakPolarHBondContact O-CA 3.29Å; P250-L254 WeakPolarHBondContact O-CB 3.39Å; P250-L254 PolarHBondContact O-N 2.54Å; P250-L254 VanDerWaalsContact O-N 3.08Å; P250-V259 HydrophobicContact CB-CG1 3.52Å; P250-V259 WeakPolarHBondContact O-CG1 3.24Å
251	Y	54.8	Low	57.9	Low	51 Å²	51	55.7 Å²	55.7	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-77.5	-23.3	-175.4	-51.9	-63.2	0	0	0	113.8	C248 I249 V259 Q260 T262 A263	C248-Y251 PolarHBondContact O-N 3.18Å; I249-Y251 PolarHBondContact O-N 3.4Å; Y251-V259 HydrophobicContact CD1-CG1 3.99Å; Y251-V259 WeakPolarHBondContact CD1-O 3.43Å; Y251-V259 HydrophobicContact CE1-CG1 4.19Å; Y251-V259 WeakPolarHBondContact CE1-O 3.31Å; Y251-Q260 PolarHBondContact O-NE2 2.83Å; Y251-T262 VanDerWaalsContact CE1-OG1 3.27Å; Y251-T262 WeakPolarHBondContact CE1-OG1 3.33Å; Y251-T262 PolarHBondContact OH-O 3.25Å; Y251-T262 PolarHBondContact OH-OG1 3.19Å; Y251-T262 VanDerWaalsContact OH-OG1 3.06Å; Y251-A263 HydrophobicContact CD1-CB 3.51Å; Y251-A263 HydrophobicContact CE1-CB 3.81Å; Y251-A263 HydrophobicContact CG-CB 3.98Å
252	M	55.3	Low	57.2	Low	26 Å²	26	57.9 Å²	57.9	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-91.3	-39.4	179	-72.2	168.7	70.6	0	0	112.2	T237 R238 I249	T237-M252 HydrophobicContact CG2-CG 3.66Å; T237-M252 HydrophobicContact CG2-SD 4.13Å; R238-M252 WeakPolarHBondContact O-CE 3.19Å; I249-M252 PolarHBondContact O-N 2.66Å
253	H	64.3	Low	57	Low	5 Å²	5	53.9 Å²	53.9	2%	0.023	29%	0.289	C	S	.	.	H	α-helix	trans	-100.5	-21.5	-170.1	-63.5	-75.3	0	0	0	114.1	L162 Y196 K207 F239 S240 I249	L162-H253 HydrophobicContact CD1-CB 4.15Å; Y196-H253 AromaticContact CZ-ND1 3.68Å; Y196-H253 WeakPolarHBondContact OH-CB 3.28Å; Y196-H253 PolarHBondContact OH-ND1 3.06Å; K207-H253 PolarHBondContact NZ-O 3.04Å; F239-H253 AromaticContact CE2-CE1 3.94Å; F239-H253 AromaticContact CE2-ND1 3.69Å; S240-H253 PolarHBondContact O-CE1 3.37Å; S240-H253 VanDerWaalsContact O-CE1 3.29Å; I249-H253 PolarHBondContact O-CD2 3.16Å; I249-H253 PolarHBondContact O-N 3.43Å; I249-H253 VanDerWaalsContact O-N 3.09Å
254	L	68.2	Low	56.9	Low	14 Å²	14	57.1 Å²	57.1	7%	0.073	31%	0.311	C	S	.	.			trans	-108.5	121.7	177.6	-46.7	176.6	0	0	0	110.1	I148 I160 P250 N256 V259 Q260	I148-L254 HydrophobicContact CD1-CD2 4.46Å; I160-L254 HydrophobicContact CB-CD1 4.29Å; I160-L254 HydrophobicContact CB-CD2 4.45Å; I160-L254 HydrophobicContact CD1-CD2 4.15Å; I160-L254 HydrophobicContact CG2-CD2 3.9Å; P250-L254 HydrophobicContact CB-CD1 4.2Å; P250-L254 WeakPolarHBondContact O-CA 3.29Å; P250-L254 WeakPolarHBondContact O-CB 3.39Å; P250-L254 PolarHBondContact O-N 2.54Å; P250-L254 VanDerWaalsContact O-N 3.08Å; L254-N256 VanDerWaalsContact C-N 3.32Å; L254-V259 HydrophobicContact CB-CG1 4.46Å; L254-V259 HydrophobicContact CB-CG2 4.49Å; L254-V259 HydrophobicContact CD1-CG2 4.21Å; L254-Q260 PolarHBondContact O-NE2 2.91Å
255	T	58.9	Low	57	Low	11 Å²	11	63.7 Å²	63.7	7%	0.067	35%	0.346	C	S	.	.			trans	-90.4	1.1	-177.6	43.2	0	0	0	0	112.7	K207 D209 V257	K207-T255 HydrophobicContact CG-CG2 4.37Å; D209-T255 WeakPolarHBondContact OD1-CB 3.4Å; D209-T255 PolarHBondContact OD1-OG1 3.01Å; T255-V257 PolarHBondContact O-N 3.43Å
256	N	68.7	Low	57.2	Low	26 Å²	26	59.1 Å²	59.1	14%	0.139	32%	0.318	C	S	.	.			trans	-62.8	129.1	-178.7	-68.9	33.8	0	0	0	111.4	G157 L254 S258 V259 Q260	G157-N256 PolarHBondContact N-ND2 2.59Å; L254-N256 VanDerWaalsContact C-N 3.32Å; N256-S258 PolarHBondContact O-N 3.5Å; N256-S258 VanDerWaalsContact O-N 3.17Å; N256-V259 HydrophobicContact CB-CG2 4.24Å; N256-V259 PolarHBondContact O-N 3.05Å; N256-Q260 WeakPolarHBondContact O-CG 3.14Å; N256-Q260 PolarHBondContact O-N 3.33Å
257	V	57.2	Low	57.4	Low	41 Å²	41	57.9 Å²	57.9	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-55.8	-36.1	179.6	177.6	0	0	0	0	112.3	T255 V259 Q260 K261	T255-V257 PolarHBondContact O-N 3.43Å; V257-V259 VanDerWaalsContact C-N 3.28Å; V257-V259 PolarHBondContact O-N 3.46Å; V257-Q260 PolarHBondContact O-N 2.9Å; V257-K261 HydrophobicContact CG1-CD 4.12Å; V257-K261 HydrophobicContact CG1-CG 4.14Å; V257-K261 WeakPolarHBondContact O-CB 3.38Å; V257-K261 VanDerWaalsContact O-CG 3.32Å; V257-K261 WeakPolarHBondContact O-CG 3.42Å; V257-K261 PolarHBondContact O-N 2.74Å
258	S	55.3	Low	57.8	Low	46 Å²	46	54 Å²	54	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-36.8	176.4	47.6	0	0	0	0	113.2	Q156 N256	Q156-S258 WeakPolarHBondContact CA-OG 3.41Å; Q156-S258 WeakPolarHBondContact CB-OG 3.29Å; Q156-S258 PolarHBondContact O-OG 3.05Å; N256-S258 PolarHBondContact O-N 3.5Å; N256-S258 VanDerWaalsContact O-N 3.17Å
259	V	56.6	Low	57.7	Low	16 Å²	16	59.3 Å²	59.3	10%	0.097	31%	0.314	C	S	.	.	H	α-helix	trans	-79.8	-43.6	175.6	-179.3	0	0	0	0	109.4	Q156 P250 Y251 L254 N256 V257 K261 T262	Q156-V259 WeakPolarHBondContact O-CG2 3.48Å; P250-V259 HydrophobicContact CB-CG1 3.52Å; P250-V259 WeakPolarHBondContact O-CG1 3.24Å; Y251-V259 HydrophobicContact CD1-CG1 3.99Å; Y251-V259 WeakPolarHBondContact CD1-O 3.43Å; Y251-V259 HydrophobicContact CE1-CG1 4.19Å; Y251-V259 WeakPolarHBondContact CE1-O 3.31Å; L254-V259 HydrophobicContact CB-CG1 4.46Å; L254-V259 HydrophobicContact CB-CG2 4.49Å; L254-V259 HydrophobicContact CD1-CG2 4.21Å; N256-V259 HydrophobicContact CB-CG2 4.24Å; N256-V259 PolarHBondContact O-N 3.05Å; V257-V259 VanDerWaalsContact C-N 3.28Å; V257-V259 PolarHBondContact O-N 3.46Å; V259-K261 VanDerWaalsContact C-N 3.3Å; V259-K261 PolarHBondContact O-N 3.21Å; V259-T262 PolarHBondContact O-N 2.68Å; V259-T262 PolarHBondContact O-OG1 3.49Å
260	Q	57.1	Low	57.7	Low	6 Å²	6	65.7 Å²	65.7	3%	0.028	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-33	-177.5	-65.4	-61	-43.1	0	0	113.5	Y251 L254 N256 V257 T262 A263 Y266	Y251-Q260 PolarHBondContact O-NE2 2.83Å; L254-Q260 PolarHBondContact O-NE2 2.91Å; N256-Q260 WeakPolarHBondContact O-CG 3.14Å; N256-Q260 PolarHBondContact O-N 3.33Å; V257-Q260 PolarHBondContact O-N 2.9Å; Q260-T262 PolarHBondContact O-N 3.14Å; Q260-A263 WeakPolarHBondContact O-CB 3.5Å; Q260-A263 PolarHBondContact O-N 2.7Å; Q260-A263 VanDerWaalsContact O-N 3.07Å; Q260-Y266 HydrophobicContact CB-CD2 4.21Å; Q260-Y266 HydrophobicContact CB-CE2 4.16Å; Q260-Y266 WeakPolarHBondContact O-CB 3.42Å; Q260-Y266 WeakPolarHBondContact O-CD2 3.25Å
261	K	55.5	Low	57.6	Low	109 Å²	109	65.4 Å²	65.4	47%	0.474	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.3	177.4	-80.6	-179	175.5	-170	0	113.9	V257 V259 A263 Y266	V257-K261 HydrophobicContact CG1-CD 4.12Å; V257-K261 HydrophobicContact CG1-CG 4.14Å; V257-K261 WeakPolarHBondContact O-CB 3.38Å; V257-K261 VanDerWaalsContact O-CG 3.32Å; V257-K261 WeakPolarHBondContact O-CG 3.42Å; V257-K261 PolarHBondContact O-N 2.74Å; V259-K261 VanDerWaalsContact C-N 3.3Å; V259-K261 PolarHBondContact O-N 3.21Å; K261-A263 VanDerWaalsContact C-N 3.27Å; K261-Y266 HydrophobicContact CG-CD1 4.32Å; K261-Y266 HydrophobicContact CG-CE1 3.8Å; K261-Y266 HydrophobicContact CG-CE2 4.5Å
262	T	57.1	Low	58.5	Low	92 Å²	92	64.7 Å²	64.7	56%	0.564	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	0.7	177.4	64.9	0	0	0	0	112.3	Y251 V259 Q260	Y251-T262 VanDerWaalsContact CE1-OG1 3.27Å; Y251-T262 WeakPolarHBondContact CE1-OG1 3.33Å; Y251-T262 PolarHBondContact OH-O 3.25Å; Y251-T262 PolarHBondContact OH-OG1 3.19Å; Y251-T262 VanDerWaalsContact OH-OG1 3.06Å; V259-T262 PolarHBondContact O-N 2.68Å; V259-T262 PolarHBondContact O-OG1 3.49Å; Q260-T262 PolarHBondContact O-N 3.14Å
263	A	57.8	Low	60	Low	13 Å²	13	65.8 Å²	65.8	11%	0.107	35%	0.352	C	S	.	.	S	Bend	trans	-73.1	136.9	177.4	0	0	0	0	0	110.8	Y251 Q260 K261 N265 Y266	Y251-A263 HydrophobicContact CD1-CB 3.51Å; Y251-A263 HydrophobicContact CE1-CB 3.81Å; Y251-A263 HydrophobicContact CG-CB 3.98Å; Q260-A263 WeakPolarHBondContact O-CB 3.5Å; Q260-A263 PolarHBondContact O-N 2.7Å; Q260-A263 VanDerWaalsContact O-N 3.07Å; K261-A263 VanDerWaalsContact C-N 3.27Å; A263-N265 PolarHBondContact O-N 3.07Å; A263-N265 VanDerWaalsContact O-N 3.09Å; A263-Y266 WeakPolarHBondContact O-CB 3.45Å; A263-Y266 PolarHBondContact O-N 2.78Å; A263-Y266 VanDerWaalsContact O-N 3.09Å
264	P	55.4	Low	61.2	Low	122 Å²	122	68.2 Å²	68.2	79%	0.792	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.1	-177.1	21.8	-31.5	0	0	0	114
265	N	59.8	Low	62.3	Low	153 Å²	153	71.3 Å²	71.3	82%	0.818	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	20.6	179.2	-65.7	-20.7	0	0	0	113.1	A263 N267	A263-N265 PolarHBondContact O-N 3.07Å; A263-N265 VanDerWaalsContact O-N 3.09Å; N265-N267 PolarHBondContact O-N 2.85Å; N265-N267 VanDerWaalsContact O-N 3.12Å
266	Y	57.3	Low	64	Low	56 Å²	56	70.8 Å²	70.8	22%	0.22	37%	0.372	C	S	.	.			trans	-70.6	108.3	-179.1	-173.5	-104.9	0	0	0	110.9	Q260 K261 A263 H268	Q260-Y266 HydrophobicContact CB-CD2 4.21Å; Q260-Y266 HydrophobicContact CB-CE2 4.16Å; Q260-Y266 WeakPolarHBondContact O-CB 3.42Å; Q260-Y266 WeakPolarHBondContact O-CD2 3.25Å; K261-Y266 HydrophobicContact CG-CD1 4.32Å; K261-Y266 HydrophobicContact CG-CE1 3.8Å; K261-Y266 HydrophobicContact CG-CE2 4.5Å; A263-Y266 WeakPolarHBondContact O-CB 3.45Å; A263-Y266 PolarHBondContact O-N 2.78Å; A263-Y266 VanDerWaalsContact O-N 3.09Å; Y266-H268 AromaticContact CD1-CD2 3.55Å; Y266-H268 AromaticContact CD1-NE2 3.67Å; Y266-H268 HydrophobicContact CE1-CB 4.5Å; Y266-H268 AromaticContact CE1-CD2 3.48Å; Y266-H268 VanDerWaalsContact CE1-CD2 3.48Å; Y266-H268 WeakPolarHBondContact CE1-CD2 3.41Å; Y266-H268 AromaticContact CE1-CE1 3.59Å; Y266-H268 AromaticContact CE1-CG 3.64Å; Y266-H268 AromaticContact CE1-ND1 3.69Å; Y266-H268 AromaticContact CE1-NE2 3.43Å; Y266-H268 WeakPolarHBondContact CE1-NE2 3.25Å
267	N	56.5	Low	65.1	Low	64 Å²	64	71.6 Å²	71.6	34%	0.342	38%	0.375	S	S	.	.			trans	-94.7	111.1	173.4	-172.7	-28.9	0	0	0	109.5	N265 E269 K270	N265-N267 PolarHBondContact O-N 2.85Å; N265-N267 VanDerWaalsContact O-N 3.12Å; N267-E269 VanDerWaalsContact C-N 3.25Å; N267-E269 PolarHBondContact O-N 2.77Å; N267-E269 WeakPolarHBondContact OD1-CA 3.45Å; N267-E269 WeakPolarHBondContact OD1-CB 3.42Å; N267-E269 PolarHBondContact OD1-N 2.87Å; N267-K270 HydrophobicContact CB-CB 4.18Å; N267-K270 HydrophobicContact CB-CD 4.46Å; N267-K270 HydrophobicContact CB-CG 4.38Å; N267-K270 PolarHBondContact OD1-N 3.06Å
268	H	56.2	Low	66.8	Low	126 Å²	126	74 Å²	74	58%	0.583	38%	0.383	S	S	*	.	S	Bend	trans	-61.2	-30.9	177.1	-90.4	-89.4	0	0	0	113.3	Y266	Y266-H268 AromaticContact CD1-CD2 3.55Å; Y266-H268 AromaticContact CD1-NE2 3.67Å; Y266-H268 HydrophobicContact CE1-CB 4.5Å; Y266-H268 AromaticContact CE1-CD2 3.48Å; Y266-H268 VanDerWaalsContact CE1-CD2 3.48Å; Y266-H268 WeakPolarHBondContact CE1-CD2 3.41Å; Y266-H268 AromaticContact CE1-CE1 3.59Å; Y266-H268 AromaticContact CE1-CG 3.64Å; Y266-H268 AromaticContact CE1-ND1 3.69Å; Y266-H268 AromaticContact CE1-NE2 3.43Å; Y266-H268 WeakPolarHBondContact CE1-NE2 3.25Å
269	E	46.4	Very low	68.7	Low	184 Å²	184	71.9 Å²	71.9	86%	0.86	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-29.1	-175.6	-57.1	-176.9	157.4	0	0	112.8	N267 G271	N267-E269 VanDerWaalsContact C-N 3.25Å; N267-E269 PolarHBondContact O-N 2.77Å; N267-E269 WeakPolarHBondContact OD1-CA 3.45Å; N267-E269 WeakPolarHBondContact OD1-CB 3.42Å; N267-E269 PolarHBondContact OD1-N 2.87Å; E269-G271 VanDerWaalsContact C-N 3.26Å; E269-G271 PolarHBondContact O-N 2.87Å
270	K	54.9	Low	70.5	Confident	171 Å²	171	73 Å²	73	74%	0.743	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.6	-177.4	-78.3	-174	179.6	-179.8	0	114.7	N267	N267-K270 HydrophobicContact CB-CB 4.18Å; N267-K270 HydrophobicContact CB-CD 4.46Å; N267-K270 HydrophobicContact CB-CG 4.38Å; N267-K270 PolarHBondContact OD1-N 3.06Å
271	G	57.2	Low	72.3	Confident	42 Å²	42	80.1 Å²	80.1	43%	0.433	40%	0.397	S	S	.	.			trans	39.7	91.6	173.6	0	0	0	0	0	114	E269 K273	E269-G271 VanDerWaalsContact C-N 3.26Å; E269-G271 PolarHBondContact O-N 2.87Å; G271-K273 PolarHBondContact O-N 3.14Å
272	C	73.3	Confident	74.2	Confident	36 Å²	36	78 Å²	78	24%	0.243	39%	0.387	C	S	.	.	S	Bend	trans	-70.4	38.9	173.7	-68.1	0	0	0	0	112.8	F234	F234-C272 HydrophobicContact CB-CB 4.06Å; F234-C272 WeakPolarHBondContact CD2-O 3.34Å; F234-C272 PolarHBondContact N-O 2.88Å
273	K	86.5	Confident	76	Confident	48 Å²	48	73.7 Å²	73.7	21%	0.209	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.1	179.6	-70.1	-177.5	175.2	179.3	0	110.3	F231 A232 G271 S350 D354	F231-K273 HydrophobicContact CD2-CD 4.13Å; F231-K273 HydrophobicContact CD2-CG 4.36Å; A232-K273 CarbonylContact O-C 3.56Å; A232-K273 WeakPolarHBondContact O-CA 3.43Å; G271-K273 PolarHBondContact O-N 3.14Å; K273-S350 WeakPolarHBondContact CE-OG 3.41Å; K273-S350 PolarHBondContact NZ-OG 3.45Å; K273-D354 IonicContact NZ-OD1 3.99Å; K273-D354 PolarHBondContact NZ-OD1 3.36Å; K273-D354 IonicContact NZ-OD2 3.45Å; K273-D354 PolarHBondContact NZ-OD2 3.24Å
274	W	90.3	Very high	77.8	Confident	57 Å²	57	75.3 Å²	75.3	22%	0.216	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.9	163.6	-74.6	-0	0	0	0	109.3	I203 F231 A232 F234 Q278 L279 Y282	I203-W274 HydrophobicContact CD1-CE3 4.27Å; I203-W274 HydrophobicContact CD1-CZ3 3.81Å; I203-W274 HydrophobicContact CG2-CH2 3.63Å; I203-W274 HydrophobicContact CG2-CZ2 4.3Å; I203-W274 HydrophobicContact CG2-CZ3 4.01Å; F231-W274 CarbonylContact C-O 3.46Å; F231-W274 WeakPolarHBondContact CA-O 3.48Å; F231-W274 WeakPolarHBondContact CB-O 3.2Å; A232-W274 HydrophobicContact CB-CB 4.35Å; A232-W274 PolarHBondContact N-O 2.83Å; A232-W274 PolarHBondContact O-N 3.27Å; F234-W274 HydrophobicContact CE2-CB 3.79Å; F234-W274 AromaticContact CE2-CD1 3.77Å; F234-W274 AromaticContact CE2-CD2 3.73Å; F234-W274 HydrophobicContact CE2-CD2 3.73Å; F234-W274 HydrophobicContact CE2-CE3 4.3Å; F234-W274 AromaticContact CE2-CG 3.45Å; F234-W274 HydrophobicContact CE2-CG 3.45Å; F234-W274 VanDerWaalsContact CE2-CG 3.45Å; F234-W274 HydrophobicContact CZ-CB 4.36Å; F234-W274 AromaticContact CZ-CD2 3.66Å; F234-W274 HydrophobicContact CZ-CD2 3.66Å; F234-W274 AromaticContact CZ-CE3 3.81Å; F234-W274 HydrophobicContact CZ-CE3 3.81Å; F234-W274 AromaticContact CZ-CG 3.91Å; F234-W274 HydrophobicContact CZ-CG 3.91Å; F234-W274 HydrophobicContact CZ-CZ3 4.43Å; W274-Q278 HydrophobicContact CD2-CG 4.38Å; W274-Q278 HydrophobicContact CG-CG 4.45Å; W274-L279 HydrophobicContact CE3-CD1 4.17Å; W274-Y282 HydrophobicContact CH2-CD2 4.16Å; W274-Y282 HydrophobicContact CH2-CE2 4.49Å; W274-Y282 HydrophobicContact CH2-CG 4.18Å; W274-Y282 AromaticContact CZ3-CD1 3.97Å; W274-Y282 HydrophobicContact CZ3-CD1 3.97Å; W274-Y282 HydrophobicContact CZ3-CD2 4.24Å; W274-Y282 AromaticContact CZ3-CG 3.79Å; W274-Y282 HydrophobicContact CZ3-CG 3.79Å
275	Q	90.9	Very high	79.7	Confident	79 Å²	79	73.8 Å²	73.8	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	151.1	169	-67.1	177.2	3.8	0	0	110.1	Q277 Q278 L279	Q275-Q277 PolarHBondContact O-N 3.39Å; Q275-Q278 WeakPolarHBondContact O-CB 3.01Å; Q275-Q278 PolarHBondContact O-N 2.48Å; Q275-L279 PolarHBondContact O-N 2.95Å
276	M	93.8	Very high	81.4	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58	-36.9	-178.5	-174.9	57.9	66.5	0	0	111.8	L210 V212 G230 Q278 L279 R280 F296 L415	L210-M276 HydrophobicContact CB-CE 4.31Å; L210-M276 HydrophobicContact CD1-CE 4.47Å; L210-M276 HydrophobicContact CD2-CE 4.34Å; V212-M276 HydrophobicContact CG2-CE 3.81Å; G230-M276 PolarHBondContact O-N 3.09Å; M276-Q278 PolarHBondContact O-N 2.9Å; M276-L279 PolarHBondContact O-N 2.89Å; M276-L279 HydrophobicContact SD-CD2 4.08Å; M276-R280 WeakPolarHBondContact O-CB 3.3Å; M276-R280 PolarHBondContact O-N 2.79Å; M276-F296 HydrophobicContact SD-CE1 4.19Å; M276-F296 HydrophobicContact SD-CZ 4.31Å; M276-L415 HydrophobicContact CG-CD1 3.89Å; M276-L415 HydrophobicContact CG-CG 4Å; M276-L415 HydrophobicContact SD-CG 4.4Å
277	Q	92.7	Very high	83.2	Confident	42 Å²	42	72.5 Å²	72.5	20%	0.196	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-42.2	176.8	-169.1	-176.8	32.5	0	0	112.7	Q275 R280 R281 G416	Q275-Q277 PolarHBondContact O-N 3.39Å; Q277-R280 PolarHBondContact O-N 3.24Å; Q277-R281 WeakPolarHBondContact O-CG 3.07Å; Q277-R281 PolarHBondContact O-N 2.99Å; Q277-G416 WeakPolarHBondContact CA-O 3.05Å
278	Q	93	Very high	85.1	Confident	93 Å²	93	71 Å²	71	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-44	177.3	-176.8	179.7	7.8	0	0	110.9	W274 Q275 M276 R281 Y282	W274-Q278 HydrophobicContact CD2-CG 4.38Å; W274-Q278 HydrophobicContact CG-CG 4.45Å; Q275-Q278 WeakPolarHBondContact O-CB 3.01Å; Q275-Q278 PolarHBondContact O-N 2.48Å; M276-Q278 PolarHBondContact O-N 2.9Å; Q278-R281 PolarHBondContact O-N 3.24Å; Q278-Y282 WeakPolarHBondContact O-CB 3.2Å; Q278-Y282 PolarHBondContact O-N 3.05Å
279	L	93.9	Very high	86.8	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-48.6	176.1	-179.5	76.3	0	0	0	111.6	I203 F208 L210 A232 W274 Q275 M276 R281 Y282 L283	I203-L279 HydrophobicContact CD1-CD1 3.67Å; F208-L279 HydrophobicContact CE2-CD1 4.17Å; F208-L279 HydrophobicContact CE2-CD2 4.43Å; F208-L279 HydrophobicContact CZ-CD1 4.32Å; L210-L279 HydrophobicContact CD1-CD2 4.17Å; L210-L279 HydrophobicContact CD2-CD2 3.27Å; L210-L279 HydrophobicContact CG-CD2 4.36Å; A232-L279 HydrophobicContact CB-CD2 4.35Å; W274-L279 HydrophobicContact CE3-CD1 4.17Å; Q275-L279 PolarHBondContact O-N 2.95Å; M276-L279 PolarHBondContact O-N 2.89Å; M276-L279 HydrophobicContact SD-CD2 4.08Å; L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 2.9Å; L279-Y282 PolarHBondContact O-N 2.95Å; L279-L283 HydrophobicContact CD1-CD1 4.21Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CD2-CD1 4.27Å; L279-L283 HydrophobicContact CG-CD1 3.88Å; L279-L283 HydrophobicContact CG-CG 4.27Å; L279-L283 WeakPolarHBondContact O-CB 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 2.86Å
280	R	94.9	Very high	89.1	Confident	39 Å²	39	72 Å²	72	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-58.9	-45.7	179.7	-177.5	166.4	-177.9	158.9	-0.2	111.2	M276 Q277 Y282 L283 T284 I292 F296 L415 G416 C417	M276-R280 WeakPolarHBondContact O-CB 3.3Å; M276-R280 PolarHBondContact O-N 2.79Å; Q277-R280 PolarHBondContact O-N 3.24Å; R280-Y282 PolarHBondContact O-N 2.82Å; R280-L283 PolarHBondContact O-N 3.07Å; R280-T284 WeakPolarHBondContact O-CB 3.4Å; R280-T284 PolarHBondContact O-N 2.95Å; R280-T284 PolarHBondContact O-OG1 2.91Å; R280-I292 HydrophobicContact CG-CG2 4.38Å; R280-F296 HydrophobicContact CB-CE2 4.09Å; R280-F296 HydrophobicContact CB-CZ 3.93Å; R280-F296 HydrophobicContact CG-CE2 3.63Å; R280-F296 HydrophobicContact CG-CZ 3.92Å; R280-L415 WeakPolarHBondContact CD-O 3.37Å; R280-L415 PolarHBondContact NH1-O 3.4Å; R280-G416 WeakPolarHBondContact CD-O 3.49Å; R280-C417 PolarHBondContact NH1-SG 3.21Å
281	R	94.6	Very high	91	Very high	156 Å²	156	67.5 Å²	67.5	59%	0.589	34%	0.337	S	S	*	.	H	α-helix	trans	-58.5	-47	175.9	-73.3	174.6	-178.6	-179.6	2.6	112.1	Q277 Q278 L279 T284 A285	Q277-R281 WeakPolarHBondContact O-CG 3.07Å; Q277-R281 PolarHBondContact O-N 2.99Å; Q278-R281 PolarHBondContact O-N 3.24Å; L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 2.9Å; R281-T284 PolarHBondContact O-N 3.26Å; R281-A285 WeakPolarHBondContact O-CB 3.31Å; R281-A285 PolarHBondContact O-N 2.86Å
282	Y	95.1	Very high	92.8	Very high	65 Å²	65	65.6 Å²	65.6	26%	0.255	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-47.6	178.1	171.6	-94.5	0	0	0	112	I203 W274 Q278 L279 R280 A285 K286	I203-Y282 HydrophobicContact CD1-CD1 4.07Å; I203-Y282 HydrophobicContact CD1-CE1 3.88Å; I203-Y282 HydrophobicContact CG1-CE1 3.85Å; I203-Y282 HydrophobicContact CG2-CE1 4.23Å; W274-Y282 HydrophobicContact CH2-CD2 4.16Å; W274-Y282 HydrophobicContact CH2-CE2 4.49Å; W274-Y282 HydrophobicContact CH2-CG 4.18Å; W274-Y282 AromaticContact CZ3-CD1 3.97Å; W274-Y282 HydrophobicContact CZ3-CD1 3.97Å; W274-Y282 HydrophobicContact CZ3-CD2 4.24Å; W274-Y282 AromaticContact CZ3-CG 3.79Å; W274-Y282 HydrophobicContact CZ3-CG 3.79Å; Q278-Y282 WeakPolarHBondContact O-CB 3.2Å; Q278-Y282 PolarHBondContact O-N 3.05Å; L279-Y282 PolarHBondContact O-N 2.95Å; R280-Y282 PolarHBondContact O-N 2.82Å; Y282-A285 PolarHBondContact O-N 3.32Å; Y282-K286 HydrophobicContact CE1-CD 4.25Å; Y282-K286 WeakPolarHBondContact O-CB 3.05Å; Y282-K286 PolarHBondContact O-N 3.19Å
283	L	95.2	Very high	93.7	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-41.6	179.7	-71.4	178	0	0	0	111.8	Y201 L279 R280 K286 H287 I292 L295 L330 L334	Y201-L283 HydrophobicContact CD1-CD2 4.36Å; Y201-L283 HydrophobicContact CE1-CD2 3.65Å; L279-L283 HydrophobicContact CD1-CD1 4.21Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CD2-CD1 4.27Å; L279-L283 HydrophobicContact CG-CD1 3.88Å; L279-L283 HydrophobicContact CG-CG 4.27Å; L279-L283 WeakPolarHBondContact O-CB 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 2.86Å; R280-L283 PolarHBondContact O-N 3.07Å; L283-K286 PolarHBondContact O-N 2.67Å; L283-H287 PolarHBondContact O-N 3.04Å; L283-I292 HydrophobicContact CB-CD1 3.6Å; L283-I292 HydrophobicContact CB-CG1 4.06Å; L283-I292 HydrophobicContact CD1-CD1 4.45Å; L283-I292 HydrophobicContact CG-CD1 4.5Å; L283-L295 HydrophobicContact CD1-CD2 4.1Å; L283-L330 HydrophobicContact CD1-CD1 4.28Å; L283-L334 HydrophobicContact CD2-CD2 4.29Å
284	T	95.5	Very high	94	Very high	46 Å²	46	69.6 Å²	69.6	28%	0.282	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-41.2	176.5	-64.1	0	0	0	0	111.8	R280 R281 K286 G288 R289	R280-T284 WeakPolarHBondContact O-CB 3.4Å; R280-T284 PolarHBondContact O-N 2.95Å; R280-T284 PolarHBondContact O-OG1 2.91Å; R281-T284 PolarHBondContact O-N 3.26Å; T284-K286 VanDerWaalsContact C-N 3.29Å; T284-K286 PolarHBondContact O-N 3.38Å; T284-G288 CarbonylContact O-C 3.58Å; T284-G288 VanDerWaalsContact O-CA 3.28Å; T284-G288 WeakPolarHBondContact O-CA 3.31Å; T284-G288 PolarHBondContact O-N 2.86Å; T284-R289 HydrophobicContact CG2-CB 4.26Å
285	A	96.2	Very high	94.3	Very high	91 Å²	91	67 Å²	67	75%	0.752	33%	0.325	S	S	*	.	H	α-helix	trans	-64.8	-34.2	176.8	0	0	0	0	0	112.3	R281 Y282	R281-A285 WeakPolarHBondContact O-CB 3.31Å; R281-A285 PolarHBondContact O-N 2.86Å; Y282-A285 PolarHBondContact O-N 3.32Å
286	K	95.8	Very high	94.4	Very high	115 Å²	115	63.8 Å²	63.8	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-85.8	-38.6	-176	-174.5	168.5	174.5	-175.9	0	114.3	Y201 Y282 L283 T284	Y201-K286 WeakPolarHBondContact OH-CD 3.5Å; Y201-K286 WeakPolarHBondContact OH-CE 3.2Å; Y201-K286 PolarHBondContact OH-NZ 3.38Å; Y282-K286 HydrophobicContact CE1-CD 4.25Å; Y282-K286 WeakPolarHBondContact O-CB 3.05Å; Y282-K286 PolarHBondContact O-N 3.19Å; L283-K286 PolarHBondContact O-N 2.67Å; T284-K286 VanDerWaalsContact C-N 3.29Å; T284-K286 PolarHBondContact O-N 3.38Å
287	H	95.4	Very high	94.4	Very high	66 Å²	66	71 Å²	71	31%	0.306	34%	0.341	S	S	.	.	H	α-helix	trans	-115.1	-3.6	-171.5	-62.3	-71.4	0	0	0	114.3	Y201 L283 L291 I292 L334	Y201-H287 AromaticContact CE2-CE1 3.86Å; Y201-H287 AromaticContact CE2-NE2 3.32Å; Y201-H287 VanDerWaalsContact CE2-NE2 3.32Å; Y201-H287 WeakPolarHBondContact CE2-NE2 3.48Å; Y201-H287 AromaticContact CZ-NE2 3.32Å; Y201-H287 VanDerWaalsContact CZ-NE2 3.32Å; Y201-H287 PolarHBondContact OH-NE2 2.72Å; L283-H287 PolarHBondContact O-N 3.04Å; H287-L291 HydrophobicContact CB-CD2 4.07Å; H287-I292 HydrophobicContact CB-CD1 4.31Å; H287-L334 HydrophobicContact CB-CD1 4.31Å
288	G	95.1	Very high	94.5	Very high	33 Å²	33	72.7 Å²	72.7	34%	0.34	35%	0.349	S	S	.	.			trans	87	165.6	-175.4	0	0	0	0	0	113.3	T284 I292	T284-G288 CarbonylContact O-C 3.58Å; T284-G288 VanDerWaalsContact O-CA 3.28Å; T284-G288 WeakPolarHBondContact O-CA 3.31Å; T284-G288 PolarHBondContact O-N 2.86Å; G288-I292 VanDerWaalsContact O-CG1 3.3Å; G288-I292 WeakPolarHBondContact O-CG1 3.33Å
289	R	93.1	Very high	94.6	Very high	177 Å²	177	68.3 Å²	68.3	67%	0.668	33%	0.328	S	S	*	.	H	α-helix	trans	-72.8	-45.8	-173.1	-179.3	176.5	171.6	176	-5.7	113.1	T284 L291 I292 E293	T284-R289 HydrophobicContact CG2-CB 4.26Å; R289-L291 PolarHBondContact O-N 3.26Å; R289-I292 PolarHBondContact O-N 3.34Å; R289-E293 HydrophobicContact CG-CG 4.36Å; R289-E293 IonicContact CZ-OE1 2.68Å; R289-E293 IonicContact NE-OE1 3.62Å; R289-E293 PolarHBondContact NE-OE1 3.21Å; R289-E293 IonicContact NH2-OE1 2.81Å; R289-E293 PolarHBondContact NH2-OE1 3.39Å; R289-E293 VanDerWaalsContact NH2-OE1 3.16Å; R289-E293 WeakPolarHBondContact O-CG 3.26Å; R289-E293 PolarHBondContact O-N 3.18Å
290	E	93.4	Very high	94.7	Very high	153 Å²	153	69 Å²	69	72%	0.715	33%	0.332	S	S	*	.	H	α-helix	trans	-59.8	-49.9	-174.1	-176.8	178.2	-176.4	0	0	112.1	I292 E293 I294	E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 3.24Å; E290-E293 PolarHBondContact O-N 2.82Å; E290-E293 VanDerWaalsContact O-N 3.15Å; E290-I294 WeakPolarHBondContact O-CG1 3.32Å; E290-I294 PolarHBondContact O-N 3.12Å
291	L	94.4	Very high	94.7	Very high	78 Å²	78	69.2 Å²	69.2	41%	0.408	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-34	-179.2	-172	138.5	0	0	0	112.3	H287 R289 I294 L295 L334	H287-L291 HydrophobicContact CB-CD2 4.07Å; R289-L291 PolarHBondContact O-N 3.26Å; L291-I294 PolarHBondContact O-N 2.89Å; L291-L295 PolarHBondContact O-N 2.81Å; L291-L334 HydrophobicContact CD2-CB 4.36Å; L291-L334 HydrophobicContact CD2-CD1 3.16Å; L291-L334 HydrophobicContact CD2-CG 4.39Å
292	I	94.8	Very high	94.8	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-73.2	-35.9	175.8	-62.9	-51.7	0	0	0	111.9	R280 L283 H287 G288 R289 E290 I294 L295 F296	R280-I292 HydrophobicContact CG-CG2 4.38Å; L283-I292 HydrophobicContact CB-CD1 3.6Å; L283-I292 HydrophobicContact CB-CG1 4.06Å; L283-I292 HydrophobicContact CD1-CD1 4.45Å; L283-I292 HydrophobicContact CG-CD1 4.5Å; H287-I292 HydrophobicContact CB-CD1 4.31Å; G288-I292 VanDerWaalsContact O-CG1 3.3Å; G288-I292 WeakPolarHBondContact O-CG1 3.33Å; R289-I292 PolarHBondContact O-N 3.34Å; E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 3.24Å; I292-I294 VanDerWaalsContact C-N 3.29Å; I292-I294 PolarHBondContact O-N 3.24Å; I292-L295 HydrophobicContact CD1-CD2 4.09Å; I292-L295 WeakPolarHBondContact O-CB 2.9Å; I292-L295 PolarHBondContact O-N 2.87Å; I292-F296 HydrophobicContact CG2-CD2 3.6Å; I292-F296 HydrophobicContact CG2-CE2 3.5Å; I292-F296 VanDerWaalsContact CG2-CE2 3.5Å; I292-F296 VanDerWaalsContact O-CD2 3.24Å; I292-F296 WeakPolarHBondContact O-CD2 3.19Å; I292-F296 PolarHBondContact O-N 3.34Å
293	E	92.3	Very high	94.9	Very high	83 Å²	83	58.8 Å²	58.8	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-38.5	171.4	-73.2	177	174.5	0	0	111.7	R289 E290 F296 K297	R289-E293 HydrophobicContact CG-CG 4.36Å; R289-E293 IonicContact CZ-OE1 2.68Å; R289-E293 IonicContact NE-OE1 3.62Å; R289-E293 PolarHBondContact NE-OE1 3.21Å; R289-E293 IonicContact NH2-OE1 2.81Å; R289-E293 PolarHBondContact NH2-OE1 3.39Å; R289-E293 VanDerWaalsContact NH2-OE1 3.16Å; R289-E293 WeakPolarHBondContact O-CG 3.26Å; R289-E293 PolarHBondContact O-N 3.18Å; E290-E293 PolarHBondContact O-N 2.82Å; E290-E293 VanDerWaalsContact O-N 3.15Å; E293-F296 PolarHBondContact O-N 3.24Å; E293-K297 WeakPolarHBondContact O-CB 2.87Å; E293-K297 PolarHBondContact O-N 3.33Å
294	I	93.8	Very high	94.9	Very high	86 Å²	86	59.7 Å²	59.7	44%	0.441	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-46.7	172.8	-64.2	168.3	0	0	0	111.2	E290 L291 I292 F296 K297 Q298	E290-I294 WeakPolarHBondContact O-CG1 3.32Å; E290-I294 PolarHBondContact O-N 3.12Å; L291-I294 PolarHBondContact O-N 2.89Å; I292-I294 VanDerWaalsContact C-N 3.29Å; I292-I294 PolarHBondContact O-N 3.24Å; I294-F296 PolarHBondContact O-N 2.89Å; I294-K297 WeakPolarHBondContact O-CB 2.94Å; I294-K297 PolarHBondContact O-N 3.02Å; I294-Q298 HydrophobicContact CG2-CG 4.5Å; I294-Q298 WeakPolarHBondContact O-CG 3.48Å; I294-Q298 PolarHBondContact O-N 3.16Å
295	L	95.4	Very high	94.9	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-55.6	-50.5	177	163.3	63.3	0	0	0	111.6	L283 L291 I292 K297 Q298 M299 L330 L334 P336	L283-L295 HydrophobicContact CD1-CD2 4.1Å; L291-L295 PolarHBondContact O-N 2.81Å; I292-L295 HydrophobicContact CD1-CD2 4.09Å; I292-L295 WeakPolarHBondContact O-CB 2.9Å; I292-L295 PolarHBondContact O-N 2.87Å; L295-K297 VanDerWaalsContact C-N 3.31Å; L295-K297 PolarHBondContact O-N 3.11Å; L295-Q298 WeakPolarHBondContact O-CB 3.45Å; L295-Q298 PolarHBondContact O-N 2.95Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; L295-M299 HydrophobicContact CD1-CG 4.38Å; L295-M299 HydrophobicContact CD1-SD 4.43Å; L295-M299 WeakPolarHBondContact O-CG 3.21Å; L295-M299 PolarHBondContact O-N 2.8Å; L295-L330 HydrophobicContact CD1-CD2 3.61Å; L295-L330 HydrophobicContact CD2-CD1 4.04Å; L295-L334 WeakPolarHBondContact CD1-O 3.32Å; L295-P336 HydrophobicContact CD1-CB 4.04Å; L295-P336 HydrophobicContact CD1-CG 3.94Å
296	F	94.6	Very high	94.9	Very high	11 Å²	11	54 Å²	54	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-34.7	-179.9	-80.8	-79.2	0	0	0	112	M276 R280 I292 E293 I294 Q298 M299 D300 L415	M276-F296 HydrophobicContact SD-CE1 4.19Å; M276-F296 HydrophobicContact SD-CZ 4.31Å; R280-F296 HydrophobicContact CB-CE2 4.09Å; R280-F296 HydrophobicContact CB-CZ 3.93Å; R280-F296 HydrophobicContact CG-CE2 3.63Å; R280-F296 HydrophobicContact CG-CZ 3.92Å; I292-F296 HydrophobicContact CG2-CD2 3.6Å; I292-F296 HydrophobicContact CG2-CE2 3.5Å; I292-F296 VanDerWaalsContact CG2-CE2 3.5Å; I292-F296 VanDerWaalsContact O-CD2 3.24Å; I292-F296 WeakPolarHBondContact O-CD2 3.19Å; I292-F296 PolarHBondContact O-N 3.34Å; E293-F296 PolarHBondContact O-N 3.24Å; I294-F296 PolarHBondContact O-N 2.89Å; F296-Q298 VanDerWaalsContact C-N 3.33Å; F296-Q298 PolarHBondContact O-N 3.19Å; F296-M299 HydrophobicContact CD1-SD 4.1Å; F296-M299 HydrophobicContact CE1-SD 4.22Å; F296-M299 WeakPolarHBondContact O-CB 3.31Å; F296-M299 PolarHBondContact O-N 3.19Å; F296-D300 PolarHBondContact O-N 3.39Å; F296-L415 HydrophobicContact CD1-CB 4Å; F296-L415 HydrophobicContact CD1-CD2 3.88Å; F296-L415 HydrophobicContact CD1-CG 4.06Å; F296-L415 HydrophobicContact CE1-CB 4.11Å; F296-L415 HydrophobicContact CE1-CD2 3.82Å; F296-L415 HydrophobicContact CE1-CG 3.78Å; F296-L415 WeakPolarHBondContact CE1-O 3.45Å
297	K	93	Very high	95	Very high	150 Å²	150	48.6 Å²	48.6	65%	0.652	23%	0.231	S	C	*	.	H	α-helix	trans	-64.1	-36.7	171.9	-175.2	175.1	-178.9	176.5	0	112.5	E293 I294 L295 D300 N301	E293-K297 WeakPolarHBondContact O-CB 2.87Å; E293-K297 PolarHBondContact O-N 3.33Å; I294-K297 WeakPolarHBondContact O-CB 2.94Å; I294-K297 PolarHBondContact O-N 3.02Å; L295-K297 VanDerWaalsContact C-N 3.31Å; L295-K297 PolarHBondContact O-N 3.11Å; K297-D300 PolarHBondContact O-N 2.72Å; K297-N301 PolarHBondContact O-N 3.22Å; K297-N301 VanDerWaalsContact O-N 3.08Å
298	Q	95.1	Very high	95	Very high	79 Å²	79	47.3 Å²	47.3	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-66.6	-37.4	172.7	-71.1	176.3	-13.8	0	0	111.5	I294 L295 F296 N301 I302 P336	I294-Q298 HydrophobicContact CG2-CG 4.5Å; I294-Q298 WeakPolarHBondContact O-CG 3.48Å; I294-Q298 PolarHBondContact O-N 3.16Å; L295-Q298 WeakPolarHBondContact O-CB 3.45Å; L295-Q298 PolarHBondContact O-N 2.95Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; F296-Q298 VanDerWaalsContact C-N 3.33Å; F296-Q298 PolarHBondContact O-N 3.19Å; Q298-N301 WeakPolarHBondContact O-CB 3.49Å; Q298-N301 PolarHBondContact O-N 3.47Å; Q298-I302 WeakPolarHBondContact O-CG1 3.49Å; Q298-I302 PolarHBondContact O-N 2.93Å; Q298-P336 HydrophobicContact CB-CG 3.58Å
299	M	96	Very high	95	Very high	1 Å²	1	46 Å²	46	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-43.4	173.1	-65.2	179.1	75.2	0	0	112.1	L210 V212 L295 F296 N301 I302 F303 I328 P336 L415	L210-M299 HydrophobicContact CD1-CE 3.75Å; L210-M299 HydrophobicContact CD1-SD 4.34Å; V212-M299 HydrophobicContact CG2-CE 3.95Å; L295-M299 HydrophobicContact CD1-CG 4.38Å; L295-M299 HydrophobicContact CD1-SD 4.43Å; L295-M299 WeakPolarHBondContact O-CG 3.21Å; L295-M299 PolarHBondContact O-N 2.8Å; F296-M299 HydrophobicContact CD1-SD 4.1Å; F296-M299 HydrophobicContact CE1-SD 4.22Å; F296-M299 WeakPolarHBondContact O-CB 3.31Å; F296-M299 PolarHBondContact O-N 3.19Å; M299-N301 VanDerWaalsContact C-N 3.27Å; M299-N301 PolarHBondContact O-N 3.1Å; M299-I302 WeakPolarHBondContact O-CB 3.42Å; M299-I302 PolarHBondContact O-N 2.82Å; M299-I302 VanDerWaalsContact O-N 3.08Å; M299-F303 HydrophobicContact CB-CE2 4.07Å; M299-F303 HydrophobicContact CB-CZ 4.17Å; M299-F303 HydrophobicContact CE-CZ 4.2Å; M299-F303 WeakPolarHBondContact O-CD2 3.37Å; M299-F303 WeakPolarHBondContact O-CE2 3.33Å; M299-F303 WeakPolarHBondContact O-CG 3.24Å; M299-F303 PolarHBondContact O-N 3.21Å; M299-F303 VanDerWaalsContact O-N 3.12Å; M299-I328 HydrophobicContact CE-CB 4.24Å; M299-I328 HydrophobicContact CE-CG1 4.12Å; M299-I328 HydrophobicContact CE-CG2 4.19Å; M299-P336 HydrophobicContact CG-CB 3.83Å; M299-P336 HydrophobicContact CG-CG 4.05Å; M299-L415 HydrophobicContact CE-CD2 4.07Å
300	D	95.1	Very high	95.2	Very high	16 Å²	16	37.6 Å²	37.6	9%	0.086	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-42	175.1	-67.7	-21.3	0	0	0	111.5	F296 K297 I302 F303 I304 T413	F296-D300 PolarHBondContact O-N 3.39Å; K297-D300 PolarHBondContact O-N 2.72Å; D300-I302 VanDerWaalsContact C-N 3.32Å; D300-I302 PolarHBondContact O-N 2.89Å; D300-F303 PolarHBondContact O-N 3.36Å; D300-I304 WeakPolarHBondContact O-CG1 3.42Å; D300-I304 PolarHBondContact O-N 3.06Å; D300-T413 WeakPolarHBondContact OD2-CB 3.45Å; D300-T413 PolarHBondContact OD2-OG1 3.23Å
301	N	95.1	Very high	95.2	Very high	43 Å²	43	32.9 Å²	32.9	23%	0.23	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-39.6	175.2	176.7	86.8	0	0	0	112.3	K118 K297 Q298 M299 R305	K118-N301 PolarHBondContact O-ND2 3.45Å; K297-N301 PolarHBondContact O-N 3.22Å; K297-N301 VanDerWaalsContact O-N 3.08Å; Q298-N301 WeakPolarHBondContact O-CB 3.49Å; Q298-N301 PolarHBondContact O-N 3.47Å; M299-N301 VanDerWaalsContact C-N 3.27Å; M299-N301 PolarHBondContact O-N 3.1Å; N301-R305 WeakPolarHBondContact O-CB 3.23Å; N301-R305 WeakPolarHBondContact O-CG 3.5Å; N301-R305 PolarHBondContact O-N 3.42Å; N301-R305 PolarHBondContact OD1-NE 2.72Å; N301-R305 PolarHBondContact OD1-NH2 3Å
302	I	96.9	Very high	95.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-53.1	174.5	-68.4	170.9	0	0	0	110.2	F121 Q298 M299 D300 I304 R305 S306 I328 P336 L338	F121-I302 HydrophobicContact CB-CD1 3.94Å; F121-I302 HydrophobicContact CB-CG1 3.6Å; F121-I302 HydrophobicContact CD1-CG1 4.04Å; F121-I302 HydrophobicContact CD2-CB 4.31Å; F121-I302 HydrophobicContact CD2-CG1 3.86Å; F121-I302 HydrophobicContact CD2-CG2 3.94Å; F121-I302 HydrophobicContact CE2-CG2 4.06Å; F121-I302 HydrophobicContact CG-CB 4.39Å; F121-I302 HydrophobicContact CG-CD1 4.38Å; F121-I302 HydrophobicContact CG-CG1 3.58Å; Q298-I302 WeakPolarHBondContact O-CG1 3.49Å; Q298-I302 PolarHBondContact O-N 2.93Å; M299-I302 WeakPolarHBondContact O-CB 3.42Å; M299-I302 PolarHBondContact O-N 2.82Å; M299-I302 VanDerWaalsContact O-N 3.08Å; D300-I302 VanDerWaalsContact C-N 3.32Å; D300-I302 PolarHBondContact O-N 2.89Å; I302-I304 PolarHBondContact O-N 2.88Å; I302-R305 PolarHBondContact O-N 2.91Å; I302-S306 VanDerWaalsContact O-CB 3.32Å; I302-S306 WeakPolarHBondContact O-CB 3.39Å; I302-S306 PolarHBondContact O-N 3.19Å; I302-S306 PolarHBondContact O-OG 3.18Å; I302-I328 HydrophobicContact CD1-CD1 4.31Å; I302-I328 HydrophobicContact CG2-CD1 3.99Å; I302-P336 HydrophobicContact CD1-CB 3.75Å; I302-P336 HydrophobicContact CD1-CG 3.83Å; I302-L338 HydrophobicContact CG2-CB 3.88Å; I302-L338 HydrophobicContact CG2-CD1 4.18Å; I302-L338 HydrophobicContact CG2-CD2 4.19Å; I302-L338 HydrophobicContact CG2-CG 4.32Å
303	F	96.7	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-41.8	-175.2	-54.3	-37.1	0	0	0	112.3	V212 V214 L226 M299 D300 S306 L307 Y326 I328 M388 L415	V212-F303 HydrophobicContact CB-CE1 4.43Å; V212-F303 HydrophobicContact CB-CZ 3.93Å; V212-F303 HydrophobicContact CG1-CE1 4.45Å; V212-F303 HydrophobicContact CG1-CE2 4.03Å; V212-F303 HydrophobicContact CG1-CZ 3.69Å; V212-F303 HydrophobicContact CG2-CZ 4.14Å; V214-F303 HydrophobicContact CG2-CB 4.4Å; V214-F303 HydrophobicContact CG2-CD1 4.29Å; V214-F303 HydrophobicContact CG2-CD2 4.41Å; V214-F303 HydrophobicContact CG2-CG 4.12Å; L226-F303 HydrophobicContact CD1-CD2 3.95Å; L226-F303 HydrophobicContact CD1-CE2 3.79Å; M299-F303 HydrophobicContact CB-CE2 4.07Å; M299-F303 HydrophobicContact CB-CZ 4.17Å; M299-F303 HydrophobicContact CE-CZ 4.2Å; M299-F303 WeakPolarHBondContact O-CD2 3.37Å; M299-F303 WeakPolarHBondContact O-CE2 3.33Å; M299-F303 WeakPolarHBondContact O-CG 3.24Å; M299-F303 PolarHBondContact O-N 3.21Å; M299-F303 VanDerWaalsContact O-N 3.12Å; D300-F303 PolarHBondContact O-N 3.36Å; F303-S306 PolarHBondContact O-OG 3.48Å; F303-L307 WeakPolarHBondContact O-CG 3.33Å; F303-L307 PolarHBondContact O-N 3.05Å; F303-Y326 AromaticContact CD1-CD1 3.5Å; F303-Y326 HydrophobicContact CD1-CD1 3.5Å; F303-Y326 VanDerWaalsContact CD1-CD1 3.5Å; F303-Y326 HydrophobicContact CD1-CD2 4.27Å; F303-Y326 AromaticContact CD1-CE1 3.83Å; F303-Y326 HydrophobicContact CD1-CE1 3.83Å; F303-Y326 AromaticContact CD1-CG 3.75Å; F303-Y326 HydrophobicContact CD1-CG 3.75Å; F303-Y326 AromaticContact CE1-CD1 3.78Å; F303-Y326 HydrophobicContact CE1-CD1 3.78Å; F303-Y326 AromaticContact CE1-CG 3.79Å; F303-Y326 HydrophobicContact CE1-CG 3.79Å; F303-I328 HydrophobicContact CE1-CD1 4.11Å; F303-I328 HydrophobicContact CE1-CG1 4.1Å; F303-I328 HydrophobicContact CZ-CG1 4.44Å; F303-M388 HydrophobicContact CB-CE 3.94Å; F303-M388 HydrophobicContact CB-SD 4.35Å; F303-M388 HydrophobicContact CD2-CE 4.31Å; F303-L415 HydrophobicContact CE2-CD2 4.35Å
304	I	95.4	Very high	95.1	Very high	21 Å²	21	37.1 Å²	37.1	11%	0.108	18%	0.175	C	C	.	.	H	α-helix	trans	-69	-48.7	179.1	-66	-54.5	0	0	0	111.2	D300 I302 S306 L307 Q308 M388 W389	D300-I304 WeakPolarHBondContact O-CG1 3.42Å; D300-I304 PolarHBondContact O-N 3.06Å; I302-I304 PolarHBondContact O-N 2.88Å; I304-S306 VanDerWaalsContact C-N 3.34Å; I304-S306 PolarHBondContact O-N 2.8Å; I304-L307 PolarHBondContact O-N 3.43Å; I304-Q308 HydrophobicContact CG2-CG 4.19Å; I304-Q308 WeakPolarHBondContact O-CB 3.44Å; I304-Q308 VanDerWaalsContact O-CG 3.32Å; I304-Q308 WeakPolarHBondContact O-CG 3.41Å; I304-Q308 PolarHBondContact O-N 2.95Å; I304-M388 HydrophobicContact CD1-CE 3.36Å; I304-M388 HydrophobicContact CD1-CG 3.84Å; I304-M388 HydrophobicContact CD1-SD 3.68Å; I304-M388 HydrophobicContact CG1-CE 3.57Å; I304-W389 HydrophobicContact CD1-CB 3.7Å; I304-W389 HydrophobicContact CD1-CD2 4.19Å; I304-W389 HydrophobicContact CD1-CE3 3.85Å; I304-W389 HydrophobicContact CD1-CG 4.17Å; I304-W389 HydrophobicContact CG1-CE3 4.15Å; I304-W389 HydrophobicContact CG2-CD2 4.3Å; I304-W389 HydrophobicContact CG2-CE3 3.65Å; I304-W389 HydrophobicContact CG2-CH2 4.3Å; I304-W389 HydrophobicContact CG2-CZ3 3.64Å
305	R	95.4	Very high	95	Very high	18 Å²	18	37.2 Å²	37.2	7%	0.068	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-34.8	-176.6	-69.4	-169.5	-168.3	-86.6	-15.7	112.6	Y103 E115 K118 C119 F121 N301 I302 Q308 S309	Y103-R305 HydrophobicContact CE1-CB 4.2Å; Y103-R305 HydrophobicContact CE1-CG 4.38Å; E115-R305 IonicContact OE1-CZ 2.76Å; E115-R305 IonicContact OE1-NH1 3.5Å; E115-R305 PolarHBondContact OE1-NH1 3.39Å; E115-R305 IonicContact OE1-NH2 3.65Å; E115-R305 PolarHBondContact OE1-NH2 3.36Å; K118-R305 VanDerWaalsContact CB-CZ 3.48Å; C119-R305 VanDerWaalsContact SG-CD 3.58Å; F121-R305 HydrophobicContact CE1-CB 3.77Å; F121-R305 HydrophobicContact CE1-CG 4.47Å; F121-R305 HydrophobicContact CZ-CB 3.92Å; N301-R305 WeakPolarHBondContact O-CB 3.23Å; N301-R305 WeakPolarHBondContact O-CG 3.5Å; N301-R305 PolarHBondContact O-N 3.42Å; N301-R305 PolarHBondContact OD1-NE 2.72Å; N301-R305 PolarHBondContact OD1-NH2 3Å; I302-R305 PolarHBondContact O-N 2.91Å; R305-Q308 PolarHBondContact O-N 3.15Å; R305-S309 WeakPolarHBondContact O-CB 3.45Å; R305-S309 PolarHBondContact O-N 3.15Å
306	S	96.9	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-44.4	173.1	60.2	0	0	0	0	111.2	I302 F303 I304 S309 Y326	I302-S306 VanDerWaalsContact O-CB 3.32Å; I302-S306 WeakPolarHBondContact O-CB 3.39Å; I302-S306 PolarHBondContact O-N 3.19Å; I302-S306 PolarHBondContact O-OG 3.18Å; F303-S306 PolarHBondContact O-OG 3.48Å; I304-S306 VanDerWaalsContact C-N 3.34Å; I304-S306 PolarHBondContact O-N 2.8Å; S306-S309 PolarHBondContact O-N 3Å; S306-S309 PolarHBondContact O-OG 3.15Å; S306-Y326 VanDerWaalsContact OG-CE1 3.31Å; S306-Y326 WeakPolarHBondContact OG-CE1 3.49Å; S306-Y326 PolarHBondContact OG-OH 2.87Å
307	L	97	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-42.3	176.6	-68.1	176	0	0	0	112.7	L90 V214 V216 Y219 L222 A224 F303 I304 S309 V310 Q311 Y324	L90-L307 HydrophobicContact CD2-CD2 3.78Å; V214-L307 HydrophobicContact CG1-CD1 4.08Å; V216-L307 HydrophobicContact CG2-CD1 3.88Å; V216-L307 HydrophobicContact CG2-CD2 3.65Å; V216-L307 HydrophobicContact CG2-CG 4.43Å; Y219-L307 HydrophobicContact CE1-CD2 4.21Å; Y219-L307 WeakPolarHBondContact OH-CD2 3.37Å; L222-L307 HydrophobicContact CD1-CB 4.4Å; L222-L307 HydrophobicContact CD2-CB 4.25Å; A224-L307 HydrophobicContact CB-CD1 3.62Å; F303-L307 WeakPolarHBondContact O-CG 3.33Å; F303-L307 PolarHBondContact O-N 3.05Å; I304-L307 PolarHBondContact O-N 3.43Å; L307-S309 VanDerWaalsContact C-N 3.28Å; L307-S309 PolarHBondContact O-N 2.94Å; L307-V310 WeakPolarHBondContact O-CG2 3.44Å; L307-V310 PolarHBondContact O-N 2.6Å; L307-Q311 PolarHBondContact O-N 2.9Å; L307-Y324 HydrophobicContact CD2-CD2 4.41Å; L307-Y324 HydrophobicContact CD2-CE2 4.2Å
308	Q	95.4	Very high	94.3	Very high	40 Å²	40	37.9 Å²	37.9	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-35.2	176.2	-73.2	174.3	-33.6	0	0	112.2	Y103 L222 I304 R305 V310 Q311 W389	Y103-Q308 HydrophobicContact CE1-CB 4.5Å; Y103-Q308 HydrophobicContact CE2-CB 4.09Å; Y103-Q308 PolarHBondContact OH-OE1 2.94Å; L222-Q308 HydrophobicContact CD2-CG 4.2Å; I304-Q308 HydrophobicContact CG2-CG 4.19Å; I304-Q308 WeakPolarHBondContact O-CB 3.44Å; I304-Q308 VanDerWaalsContact O-CG 3.32Å; I304-Q308 WeakPolarHBondContact O-CG 3.41Å; I304-Q308 PolarHBondContact O-N 2.95Å; R305-Q308 PolarHBondContact O-N 3.15Å; Q308-V310 PolarHBondContact O-N 2.91Å; Q308-Q311 PolarHBondContact O-N 2.84Å; Q308-W389 VanDerWaalsContact NE2-CZ2 3.33Å
309	S	95.8	Very high	94.2	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-25.8	179.5	79.6	0	0	0	0	113.8	R305 S306 L307	R305-S309 WeakPolarHBondContact O-CB 3.45Å; R305-S309 PolarHBondContact O-N 3.15Å; S306-S309 PolarHBondContact O-N 3Å; S306-S309 PolarHBondContact O-OG 3.15Å; L307-S309 VanDerWaalsContact C-N 3.28Å; L307-S309 PolarHBondContact O-N 2.94Å
310	V	95.9	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-108.5	-6.4	-179.8	-63	0	0	0	0	113.1	E89 L90 N99 Y219 L307 Q308 K312 V313 I314	E89-V310 HydrophobicContact CB-CG1 4.46Å; L90-V310 HydrophobicContact CB-CG1 4.16Å; L90-V310 HydrophobicContact CB-CG2 4.27Å; L90-V310 HydrophobicContact CD1-CG1 4.11Å; L90-V310 HydrophobicContact CD1-CG2 4.3Å; L90-V310 HydrophobicContact CD2-CG2 4.3Å; N99-V310 HydrophobicContact CB-CG1 3.95Å; Y219-V310 HydrophobicContact CE1-CG2 3.96Å; L307-V310 WeakPolarHBondContact O-CG2 3.44Å; L307-V310 PolarHBondContact O-N 2.6Å; Q308-V310 PolarHBondContact O-N 2.91Å; V310-K312 VanDerWaalsContact C-N 3.29Å; V310-K312 PolarHBondContact O-N 3.29Å; V310-V313 PolarHBondContact O-N 3.29Å; V310-I314 HydrophobicContact CB-CD1 3.86Å; V310-I314 HydrophobicContact CB-CG1 4.12Å; V310-I314 HydrophobicContact CG2-CD1 3.54Å; V310-I314 HydrophobicContact CG2-CG1 4.31Å; V310-I314 PolarHBondContact O-N 2.86Å
311	Q	94.1	Very high	94.2	Very high	53 Å²	53	34.6 Å²	34.6	25%	0.248	17%	0.166	C	C	.	.	H	α-helix	trans	-56	-39.7	-173.7	-174.5	-176.5	-7.8	0	0	113.5	Y219 L222 L307 Q308 V313	Y219-Q311 HydrophobicContact CD1-CB 4.37Å; Y219-Q311 HydrophobicContact CD1-CG 4.4Å; Y219-Q311 WeakPolarHBondContact O-CG 3.45Å; Y219-Q311 PolarHBondContact O-NE2 2.91Å; L222-Q311 HydrophobicContact CB-CG 4.35Å; L307-Q311 PolarHBondContact O-N 2.9Å; Q308-Q311 PolarHBondContact O-N 2.84Å; Q311-V313 VanDerWaalsContact C-N 3.33Å
312	K	91.8	Very high	94.2	Very high	204 Å²	204	32.5 Å²	32.5	89%	0.887	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-7.6	178.3	-63.4	-176.3	179.9	178.6	0	113.9	V310	V310-K312 VanDerWaalsContact C-N 3.29Å; V310-K312 PolarHBondContact O-N 3.29Å
313	V	94.1	Very high	94.2	Very high	39 Å²	39	32.8 Å²	32.8	24%	0.236	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-37.2	-173.9	-169.8	0	0	0	0	110.8	N86 E89 V310 Q311 I315	N86-V313 PolarHBondContact ND2-O 2.76Å; E89-V313 HydrophobicContact CB-CG1 4.48Å; E89-V313 HydrophobicContact CG-CG1 3.81Å; V310-V313 PolarHBondContact O-N 3.29Å; Q311-V313 VanDerWaalsContact C-N 3.33Å; V313-I315 PolarHBondContact O-N 3.44Å
314	I	93.5	Very high	94.2	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.046	16%	0.156	C	C	.	.	S	Bend	trans	-66.7	130.3	179.2	-74.7	174.2	0	0	0	109.6	F84 N86 E89 Y219 V310 N316	F84-I314 HydrophobicContact CB-CG2 4.07Å; F84-I314 HydrophobicContact CD1-CG2 4.19Å; F84-I314 HydrophobicContact CG-CG2 4.05Å; N86-I314 VanDerWaalsContact OD1-CA 3.29Å; N86-I314 WeakPolarHBondContact OD1-CA 3.36Å; E89-I314 HydrophobicContact CB-CG1 4.33Å; Y219-I314 HydrophobicContact CD1-CB 4.5Å; Y219-I314 HydrophobicContact CD1-CD1 4.4Å; Y219-I314 HydrophobicContact CD2-CB 4.12Å; Y219-I314 HydrophobicContact CD2-CD1 4.24Å; Y219-I314 HydrophobicContact CD2-CG2 3.46Å; Y219-I314 VanDerWaalsContact CD2-CG2 3.46Å; Y219-I314 HydrophobicContact CE1-CD1 3.75Å; Y219-I314 HydrophobicContact CE2-CB 4.29Å; Y219-I314 HydrophobicContact CE2-CD1 3.55Å; Y219-I314 HydrophobicContact CE2-CG1 4.49Å; Y219-I314 HydrophobicContact CE2-CG2 3.73Å; Y219-I314 HydrophobicContact CG-CB 4.22Å; Y219-I314 HydrophobicContact CG-CG2 3.98Å; Y219-I314 VanDerWaalsContact OH-CD1 3.31Å; Y219-I314 WeakPolarHBondContact OH-CD1 3.38Å; V310-I314 HydrophobicContact CB-CD1 3.86Å; V310-I314 HydrophobicContact CB-CG1 4.12Å; V310-I314 HydrophobicContact CG2-CD1 3.54Å; V310-I314 HydrophobicContact CG2-CG1 4.31Å; V310-I314 PolarHBondContact O-N 2.86Å; I314-N316 PolarHBondContact O-N 3.35Å
315	I	91.8	Very high	94.3	Very high	87 Å²	87	31.8 Å²	31.8	45%	0.446	15%	0.151	S	C	.	.			trans	-74	99	174.1	-59.1	168.6	0	0	0	106.2	N86 V313 D317	N86-I315 PolarHBondContact OD1-N 3.46Å; V313-I315 PolarHBondContact O-N 3.44Å; I315-D317 PolarHBondContact O-N 3.12Å
316	N	89.8	Confident	94.3	Very high	48 Å²	48	30.9 Å²	30.9	26%	0.257	15%	0.147	S	C	.	.			trans	-72.9	127.3	178.3	-175.5	78.4	0	0	0	110.1	S218 Y219 V220 I314	S218-N316 PolarHBondContact OG-OD1 2.95Å; Y219-N316 PolarHBondContact N-OD1 2.9Å; V220-N316 HydrophobicContact CB-CB 4.08Å; V220-N316 HydrophobicContact CG2-CB 3.71Å; V220-N316 PolarHBondContact N-OD1 2.77Å; I314-N316 PolarHBondContact O-N 3.35Å
317	D	89.8	Confident	94.3	Very high	24 Å²	24	31.2 Å²	31.2	13%	0.128	15%	0.149	C	C	.	.			trans	-131.9	133.3	175.8	-163.3	-48.2	0	0	0	107.8	R85 I315 H319 C320	R85-D317 IonicContact CZ-OD2 2.71Å; R85-D317 IonicContact NE-OD2 3.12Å; R85-D317 IonicContact NH2-OD2 2.65Å; R85-D317 PolarHBondContact NH2-OD2 3.02Å; I315-D317 PolarHBondContact O-N 3.12Å; D317-H319 PolarHBondContact O-N 3.28Å; D317-H319 IonicContact OD1-CE1 3.77Å; D317-H319 IonicContact OD1-CG 2.62Å; D317-H319 PolarHBondContact OD1-N 3.43Å; D317-H319 IonicContact OD1-ND1 3.41Å; D317-H319 PolarHBondContact OD1-ND1 3.08Å; D317-C320 HydrophobicContact CB-CB 4.32Å; D317-C320 PolarHBondContact O-N 3.49Å
318	K	89.1	Confident	94.3	Very high	107 Å²	107	31.2 Å²	31.2	47%	0.465	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21	-175.1	68.3	179.5	-175	179.2	0	112.8	E77 C320	E77-K318 VanDerWaalsContact CD-NZ 3.26Å; E77-K318 IonicContact OE1-NZ 3.08Å; E77-K318 PolarHBondContact OE1-NZ 2.94Å; K318-C320 VanDerWaalsContact C-N 3.27Å
319	H	92.5	Very high	94.3	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.093	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13	176.9	-46.9	104	0	0	0	111.7	L75 D76 V79 R80 I81 D317	L75-H319 HydrophobicContact CD1-CB 4.2Å; D76-H319 PolarHBondContact O-CD2 3.43Å; D76-H319 VanDerWaalsContact O-CD2 3.24Å; D76-H319 PolarHBondContact O-NE2 3.28Å; V79-H319 WeakPolarHBondContact O-CA 3.48Å; V79-H319 WeakPolarHBondContact O-CB 3.22Å; V79-H319 PolarHBondContact O-CD2 3.28Å; R80-H319 CarbonylContact C-O 3.53Å; R80-H319 VanDerWaalsContact CA-O 3.22Å; R80-H319 WeakPolarHBondContact CA-O 3.43Å; I81-H319 PolarHBondContact N-O 3.13Å; D317-H319 PolarHBondContact O-N 3.28Å; D317-H319 IonicContact OD1-CE1 3.77Å; D317-H319 IonicContact OD1-CG 2.62Å; D317-H319 PolarHBondContact OD1-N 3.43Å; D317-H319 IonicContact OD1-ND1 3.41Å; D317-H319 PolarHBondContact OD1-ND1 3.08Å
320	C	94.3	Very high	94.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-101.4	140.2	-171.7	-64.5	0	0	0	0	112.5	I81 H83 F84 D317 K318	I81-C320 WeakPolarHBondContact O-CA 3.38Å; H83-C320 WeakPolarHBondContact O-CB 3.35Å; H83-C320 PolarHBondContact O-SG 3.02Å; F84-C320 HydrophobicContact CD1-CB 3.45Å; F84-C320 VanDerWaalsContact CD1-CB 3.45Å; F84-C320 HydrophobicContact CE1-CB 3.59Å; F84-C320 HydrophobicContact CG-CB 4.06Å; F84-C320 HydrophobicContact CZ-CB 4.28Å; F84-C320 WeakPolarHBondContact CZ-O 3.46Å; D317-C320 HydrophobicContact CB-CB 4.32Å; D317-C320 PolarHBondContact O-N 3.49Å; K318-C320 VanDerWaalsContact C-N 3.27Å
321	F	96.1	Very high	94.3	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.018	15%	0.146	C	C	.	.			trans	-133	168.1	160.4	66.8	-85.3	0	0	0	108.4	F58 W60 R80 I81 N82 H83 L215 V216 T365 V369	F58-F321 AromaticContact CE2-CE1 3.64Å; F58-F321 HydrophobicContact CE2-CE1 3.64Å; F58-F321 AromaticContact CE2-CZ 3.75Å; F58-F321 HydrophobicContact CE2-CZ 3.75Å; F58-F321 HydrophobicContact CZ-CE1 4.11Å; F58-F321 AromaticContact CZ-CZ 3.76Å; F58-F321 HydrophobicContact CZ-CZ 3.76Å; W60-F321 HydrophobicContact CE3-CZ 4.31Å; W60-F321 HydrophobicContact CH2-CE2 4.4Å; W60-F321 HydrophobicContact CZ3-CE2 4.05Å; W60-F321 HydrophobicContact CZ3-CZ 4.08Å; R80-F321 HydrophobicContact CB-CD1 4.44Å; R80-F321 HydrophobicContact CB-CE1 4.27Å; I81-F321 WeakPolarHBondContact O-CD1 3.35Å; I81-F321 WeakPolarHBondContact O-CE1 3.49Å; I81-F321 PolarHBondContact O-N 3.09Å; N82-F321 CarbonylContact C-O 3.59Å; N82-F321 WeakPolarHBondContact CA-O 3.4Å; N82-F321 HydrophobicContact CB-CD2 4.5Å; N82-F321 HydrophobicContact CB-CE1 4.17Å; N82-F321 HydrophobicContact CB-CE2 3.71Å; N82-F321 HydrophobicContact CB-CZ 3.51Å; H83-F321 WeakPolarHBondContact CA-O 3.11Å; H83-F321 PolarHBondContact N-O 3.39Å; L215-F321 HydrophobicContact CD1-CD2 3.76Å; V216-F321 CarbonylContact O-C 3.49Å; V216-F321 WeakPolarHBondContact O-CA 3.3Å; F321-T365 HydrophobicContact CD2-CG2 4.44Å; F321-T365 HydrophobicContact CE2-CG2 3.97Å; F321-V369 HydrophobicContact CB-CG2 4.46Å; F321-V369 HydrophobicContact CD1-CG1 4.23Å; F321-V369 HydrophobicContact CD1-CG2 3.76Å; F321-V369 HydrophobicContact CD2-CG2 3.86Å; F321-V369 HydrophobicContact CE1-CG1 4.23Å; F321-V369 HydrophobicContact CE1-CG2 3.88Å; F321-V369 HydrophobicContact CE2-CG2 3.96Å; F321-V369 HydrophobicContact CG-CG2 3.75Å; F321-V369 HydrophobicContact CZ-CG2 3.98Å
322	E	96.1	Very high	94.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	129.2	-176.7	-171.9	80.1	-121	0	0	111.6	H83 F84 H87 L215 V216 Y324 A343	H83-E322 WeakPolarHBondContact CA-OE2 3.17Å; H83-E322 IonicContact CE1-OE1 2.72Å; H83-E322 PolarHBondContact CE1-OE1 3.36Å; H83-E322 IonicContact CG-OE1 2.84Å; H83-E322 IonicContact CG-OE2 2.67Å; H83-E322 IonicContact ND1-OE1 3.08Å; H83-E322 PolarHBondContact ND1-OE1 3.27Å; H83-E322 IonicContact ND1-OE2 3.64Å; H83-E322 PolarHBondContact ND1-OE2 3.3Å; F84-E322 HydrophobicContact CD2-CB 3.47Å; F84-E322 VanDerWaalsContact CD2-CB 3.47Å; F84-E322 HydrophobicContact CD2-CG 4.26Å; F84-E322 HydrophobicContact CE2-CB 3.58Å; F84-E322 PolarHBondContact N-OE2 2.76Å; H87-E322 WeakPolarHBondContact CB-OE2 3.24Å; H87-E322 IonicContact CG-OE2 2.83Å; L215-E322 WeakPolarHBondContact CA-O 3.42Å; V216-E322 PolarHBondContact N-O 3.43Å; V216-E322 PolarHBondContact O-N 3.37Å; E322-Y324 HydrophobicContact CB-CD2 4.43Å; E322-Y324 HydrophobicContact CB-CE2 3.91Å; E322-Y324 HydrophobicContact CG-CD1 3.98Å; E322-Y324 HydrophobicContact CG-CD2 4.02Å; E322-Y324 HydrophobicContact CG-CE1 3.53Å; E322-Y324 HydrophobicContact CG-CE2 3.57Å; E322-Y324 HydrophobicContact CG-CG 4.23Å; E322-A343 WeakPolarHBondContact OE1-CB 3.36Å
323	L	96.5	Very high	94.5	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	97.3	176.8	179.8	61.2	0	0	0	110.1	W60 Y213 L215 P345 L361 L362 Y385	W60-L323 HydrophobicContact CH2-CD2 4.41Å; Y213-L323 HydrophobicContact CD1-CD1 4.45Å; L215-L323 HydrophobicContact CB-CD1 4.26Å; L323-P345 VanDerWaalsContact O-CD 3.25Å; L323-P345 WeakPolarHBondContact O-CD 3.41Å; L323-L361 HydrophobicContact CD1-CD1 4.42Å; L323-L361 HydrophobicContact CD2-CD2 4.29Å; L323-L361 HydrophobicContact CD2-CG 4.42Å; L323-L362 HydrophobicContact CD2-CD2 3.97Å; L323-Y385 VanDerWaalsContact CD1-OH 3.26Å; L323-Y385 WeakPolarHBondContact CD1-OH 3.46Å
324	Y	96.8	Very high	94.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.9	178.3	-64.8	-70.7	0	0	0	112.3	L90 Y213 V214 V216 Y219 L307 E322 Y326 V341 N342 A343	L90-Y324 HydrophobicContact CB-CE1 4.4Å; L90-Y324 HydrophobicContact CD2-CD1 4.27Å; L90-Y324 HydrophobicContact CD2-CD2 4.42Å; L90-Y324 HydrophobicContact CD2-CE1 3.91Å; L90-Y324 HydrophobicContact CD2-CE2 4.07Å; L90-Y324 HydrophobicContact CD2-CG 4.48Å; Y213-Y324 WeakPolarHBondContact CA-O 3.24Å; V214-Y324 PolarHBondContact N-O 3.47Å; V214-Y324 PolarHBondContact O-N 2.95Å; V216-Y324 HydrophobicContact CB-CE2 4.2Å; V216-Y324 HydrophobicContact CG2-CD2 3.9Å; V216-Y324 HydrophobicContact CG2-CE2 3.78Å; Y219-Y324 VanDerWaalsContact OH-CE2 3.24Å; Y219-Y324 WeakPolarHBondContact OH-CE2 3.26Å; Y219-Y324 PolarHBondContact OH-OH 3.46Å; L307-Y324 HydrophobicContact CD2-CD2 4.41Å; L307-Y324 HydrophobicContact CD2-CE2 4.2Å; E322-Y324 HydrophobicContact CB-CD2 4.43Å; E322-Y324 HydrophobicContact CB-CE2 3.91Å; E322-Y324 HydrophobicContact CG-CD1 3.98Å; E322-Y324 HydrophobicContact CG-CD2 4.02Å; E322-Y324 HydrophobicContact CG-CE1 3.53Å; E322-Y324 HydrophobicContact CG-CE2 3.57Å; E322-Y324 HydrophobicContact CG-CG 4.23Å; Y324-Y326 HydrophobicContact CG-CE2 4.42Å; Y324-V341 HydrophobicContact CD1-CG1 3.64Å; Y324-V341 HydrophobicContact CE1-CG1 4.44Å; Y324-V341 HydrophobicContact CG-CG1 4Å; Y324-N342 CarbonylContact C-O 3.51Å; Y324-N342 WeakPolarHBondContact CA-O 3.26Å; Y324-A343 HydrophobicContact CD1-CB 4.3Å; Y324-A343 HydrophobicContact CE1-CB 4.15Å
325	G	96.6	Very high	94.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108.9	163.9	0	0	0	0	0	110.9	V212 N342	V212-G325 CarbonylContact O-C 2.81Å; V212-G325 WeakPolarHBondContact O-CA 3.43Å; G325-N342 PolarHBondContact N-O 2.9Å; G325-N342 PolarHBondContact O-N 3.47Å
326	Y	97	Very high	95	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.3	175.4	-81.6	-104.5	0	0	0	111	L210 R211 V212 V214 F303 S306 Y324 L338 V341	L210-Y326 VanDerWaalsContact O-O 3.1Å; R211-Y326 WeakPolarHBondContact CA-O 3.1Å; V212-Y326 PolarHBondContact N-O 2.77Å; V212-Y326 PolarHBondContact O-N 3.03Å; V214-Y326 HydrophobicContact CB-CD2 3.99Å; V214-Y326 HydrophobicContact CB-CE2 3.81Å; V214-Y326 HydrophobicContact CG1-CE2 4.41Å; V214-Y326 HydrophobicContact CG2-CD2 3.75Å; V214-Y326 HydrophobicContact CG2-CE2 3.87Å; F303-Y326 AromaticContact CD1-CD1 3.5Å; F303-Y326 HydrophobicContact CD1-CD1 3.5Å; F303-Y326 VanDerWaalsContact CD1-CD1 3.5Å; F303-Y326 HydrophobicContact CD1-CD2 4.27Å; F303-Y326 AromaticContact CD1-CE1 3.83Å; F303-Y326 HydrophobicContact CD1-CE1 3.83Å; F303-Y326 AromaticContact CD1-CG 3.75Å; F303-Y326 HydrophobicContact CD1-CG 3.75Å; F303-Y326 AromaticContact CE1-CD1 3.78Å; F303-Y326 HydrophobicContact CE1-CD1 3.78Å; F303-Y326 AromaticContact CE1-CG 3.79Å; F303-Y326 HydrophobicContact CE1-CG 3.79Å; S306-Y326 VanDerWaalsContact OG-CE1 3.31Å; S306-Y326 WeakPolarHBondContact OG-CE1 3.49Å; S306-Y326 PolarHBondContact OG-OH 2.87Å; Y324-Y326 HydrophobicContact CG-CE2 4.42Å; Y326-L338 HydrophobicContact CD1-CD1 3.63Å; Y326-L338 HydrophobicContact CE1-CD1 4.12Å; Y326-V341 HydrophobicContact CD1-CG2 3.73Å; Y326-V341 HydrophobicContact CD2-CG1 4.17Å; Y326-V341 HydrophobicContact CE1-CG1 4.37Å; Y326-V341 HydrophobicContact CE1-CG2 3.48Å; Y326-V341 VanDerWaalsContact CE1-CG2 3.48Å; Y326-V341 HydrophobicContact CE2-CG1 3.87Å; Y326-V341 HydrophobicContact CE2-CG2 4.46Å; Y326-V341 HydrophobicContact CG-CG2 4.32Å
327	D	95.8	Very high	95.3	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.032	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109	174.7	-69.9	17.3	0	0	0	109	L210 R211 R233 I339 E340	L210-D327 CarbonylContact O-C 3.59Å; L210-D327 VanDerWaalsContact O-CA 3.31Å; L210-D327 WeakPolarHBondContact O-CA 3.33Å; R211-D327 IonicContact CZ-OD1 3.2Å; R211-D327 IonicContact NE-OD1 3.16Å; R211-D327 PolarHBondContact NE-OD1 3.44Å; R211-D327 VanDerWaalsContact NH2-CG 3.34Å; R211-D327 IonicContact NH2-OD1 3.42Å; R211-D327 PolarHBondContact NH2-OD1 2.93Å; R211-D327 IonicContact NH2-OD2 4Å; R211-D327 PolarHBondContact NH2-OD2 3.35Å; R211-D327 VanDerWaalsContact NH2-OD2 3.11Å; R233-D327 IonicContact CZ-OD2 3.7Å; R233-D327 IonicContact NH1-OD2 3.34Å; R233-D327 IonicContact NH2-OD1 2.68Å; R233-D327 PolarHBondContact NH2-OD1 2.81Å; R233-D327 IonicContact NH2-OD2 3.9Å; R233-D327 PolarHBondContact NH2-OD2 2.93Å; D327-I339 HydrophobicContact CB-CB 4.39Å; D327-I339 WeakPolarHBondContact O-CB 3.34Å; D327-I339 PolarHBondContact O-N 3.22Å; D327-E340 HydrophobicContact CB-CG 3.54Å; D327-E340 PolarHBondContact N-O 2.89Å; D327-E340 WeakPolarHBondContact OD2-CG 3.32Å; D327-E340 VanDerWaalsContact OD2-OE1 3.09Å
328	I	97.1	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.3	-178.8	-53.3	-59.4	0	0	0	110	D209 L210 M299 I302 F303 L330 P336 W337 L338	D209-I328 CarbonylContact C-O 3.49Å; L210-I328 HydrophobicContact CB-CB 4.21Å; L210-I328 PolarHBondContact N-O 3.02Å; L210-I328 PolarHBondContact O-N 3.37Å; M299-I328 HydrophobicContact CE-CB 4.24Å; M299-I328 HydrophobicContact CE-CG1 4.12Å; M299-I328 HydrophobicContact CE-CG2 4.19Å; I302-I328 HydrophobicContact CD1-CD1 4.31Å; I302-I328 HydrophobicContact CG2-CD1 3.99Å; F303-I328 HydrophobicContact CE1-CD1 4.11Å; F303-I328 HydrophobicContact CE1-CG1 4.1Å; F303-I328 HydrophobicContact CZ-CG1 4.44Å; I328-L330 HydrophobicContact CG2-CD2 4.39Å; I328-P336 HydrophobicContact CG2-CB 3.7Å; I328-W337 CarbonylContact C-O 3.56Å; I328-W337 VanDerWaalsContact CA-O 3.31Å; I328-W337 WeakPolarHBondContact CA-O 3.26Å; I328-L338 HydrophobicContact CD1-CB 4.33Å; I328-L338 HydrophobicContact CD1-CD1 3.75Å
329	L	96.4	Very high	95.9	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.052	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.7	171.5	-174.6	63.9	0	0	0	109.7	I197 P200 K207 F208 P336 W337 I339	I197-L329 HydrophobicContact CB-CD2 3.99Å; I197-L329 HydrophobicContact CD1-CD2 3.77Å; I197-L329 HydrophobicContact CD1-CG 4.46Å; I197-L329 HydrophobicContact CG1-CD2 4.46Å; I197-L329 HydrophobicContact CG2-CD2 4.2Å; P200-L329 HydrophobicContact CB-CD1 4.32Å; P200-L329 HydrophobicContact CB-CD2 4.47Å; K207-L329 HydrophobicContact CG-CD1 4.46Å; F208-L329 WeakPolarHBondContact O-CD1 3.38Å; L329-P336 CarbonylContact O-C 3.55Å; L329-W337 PolarHBondContact N-O 2.94Å; L329-W337 WeakPolarHBondContact O-CB 3.48Å; L329-W337 PolarHBondContact O-N 2.96Å; L329-I339 HydrophobicContact CB-CD1 3.82Å; L329-I339 HydrophobicContact CB-CG1 3.71Å; L329-I339 HydrophobicContact CD2-CD1 4.35Å
330	L	96.6	Very high	95.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.6	171.5	-55.3	-174	0	0	0	109.5	P200 Y201 F208 L210 L283 L295 I328 L334 P336	P200-L330 CarbonylContact C-O 3.39Å; P200-L330 WeakPolarHBondContact CA-O 3.44Å; Y201-L330 PolarHBondContact N-O 3.08Å; F208-L330 HydrophobicContact CE2-CD1 4.38Å; F208-L330 HydrophobicContact CZ-CD1 4.25Å; L210-L330 HydrophobicContact CD1-CD1 4.39Å; L210-L330 HydrophobicContact CD1-CD2 4.33Å; L210-L330 HydrophobicContact CD1-CG 4.27Å; L283-L330 HydrophobicContact CD1-CD1 4.28Å; L295-L330 HydrophobicContact CD1-CD2 3.61Å; L295-L330 HydrophobicContact CD2-CD1 4.04Å; I328-L330 HydrophobicContact CG2-CD2 4.39Å; L330-L334 HydrophobicContact CD1-CD2 4.37Å; L330-P336 HydrophobicContact CD2-CB 3.81Å
331	D	95.4	Very high	95.9	Very high	22 Å²	22	22.6 Å²	22.6	12%	0.118	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-90	173.5	167.9	72.2	18.7	0	0	0	112.6	I197 N199 Y201 K333 L334 K335 W337	I197-D331 HydrophobicContact CG2-CB 4.15Å; N199-D331 CarbonylContact O-C 3.59Å; N199-D331 WeakPolarHBondContact O-CA 3.41Å; Y201-D331 WeakPolarHBondContact CB-O 3.32Å; D331-K333 PolarHBondContact O-N 2.97Å; D331-K333 WeakPolarHBondContact OD1-CA 3.35Å; D331-K333 WeakPolarHBondContact OD1-CB 3.5Å; D331-K333 PolarHBondContact OD1-N 2.93Å; D331-L334 WeakPolarHBondContact O-CA 3.32Å; D331-L334 PolarHBondContact O-N 3.47Å; D331-L334 PolarHBondContact OD1-N 3.02Å; D331-K335 PolarHBondContact N-O 2.81Å; D331-K335 WeakPolarHBondContact OD1-CB 3.44Å; D331-K335 PolarHBondContact OD1-N 3.12Å; D331-K335 WeakPolarHBondContact OD2-CB 3.44Å; D331-W337 PolarHBondContact OD2-NE1 3.34Å
332	E	94.7	Very high	95.7	Very high	106 Å²	106	24.1 Å²	24.1	50%	0.495	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.7	-179.2	72.2	-172.5	158.1	0	0	114	N199 L334	N199-E332 HydrophobicContact CB-CB 4.14Å; N199-E332 VanDerWaalsContact CB-CD 3.4Å; N199-E332 HydrophobicContact CB-CG 3.95Å; N199-E332 PolarHBondContact ND2-OE1 3.19Å; N199-E332 PolarHBondContact O-N 3.03Å; E332-L334 VanDerWaalsContact C-N 3.31Å
333	K	94.8	Very high	95.2	Very high	169 Å²	169	24.4 Å²	24.4	74%	0.735	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	8.6	178.2	-59.1	-177.1	-178.2	177.2	0	112.5	D331 K335	D331-K333 PolarHBondContact O-N 2.97Å; D331-K333 WeakPolarHBondContact OD1-CA 3.35Å; D331-K333 WeakPolarHBondContact OD1-CB 3.5Å; D331-K333 PolarHBondContact OD1-N 2.93Å; K333-K335 PolarHBondContact O-N 3.35Å
334	L	95.3	Very high	94.5	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.058	14%	0.136	C	C	.	.			trans	60.4	27.2	-176.4	-59.8	162.5	0	0	0	113.3	Y201 L283 H287 L291 L295 L330 D331 E332	Y201-L334 HydrophobicContact CD1-CD2 4.37Å; Y201-L334 HydrophobicContact CD2-CD2 3.65Å; Y201-L334 HydrophobicContact CD2-CG 4.29Å; Y201-L334 HydrophobicContact CE2-CD2 3.81Å; Y201-L334 HydrophobicContact CE2-CG 4.42Å; Y201-L334 HydrophobicContact CG-CD2 3.98Å; L283-L334 HydrophobicContact CD2-CD2 4.29Å; H287-L334 HydrophobicContact CB-CD1 4.31Å; L291-L334 HydrophobicContact CD2-CB 4.36Å; L291-L334 HydrophobicContact CD2-CD1 3.16Å; L291-L334 HydrophobicContact CD2-CG 4.39Å; L295-L334 WeakPolarHBondContact CD1-O 3.32Å; L330-L334 HydrophobicContact CD1-CD2 4.37Å; D331-L334 WeakPolarHBondContact O-CA 3.32Å; D331-L334 PolarHBondContact O-N 3.47Å; D331-L334 PolarHBondContact OD1-N 3.02Å; E332-L334 VanDerWaalsContact C-N 3.31Å
335	K	96.1	Very high	93.8	Very high	55 Å²	55	27.9 Å²	27.9	24%	0.239	14%	0.139	C	C	.	.			trans	-78.8	127.8	167.2	177.4	-179.4	175.8	-179.8	0	108.8	D120 D331 K333 W337	D120-K335 WeakPolarHBondContact O-CE 3.26Å; D120-K335 PolarHBondContact O-NZ 2.9Å; D120-K335 IonicContact OD1-NZ 3.77Å; D120-K335 IonicContact OD2-NZ 2.99Å; D120-K335 PolarHBondContact OD2-NZ 3.49Å; D331-K335 PolarHBondContact N-O 2.81Å; D331-K335 WeakPolarHBondContact OD1-CB 3.44Å; D331-K335 PolarHBondContact OD1-N 3.12Å; D331-K335 WeakPolarHBondContact OD2-CB 3.44Å; K333-K335 PolarHBondContact O-N 3.35Å; K335-W337 HydrophobicContact CD-CH2 4.31Å; K335-W337 HydrophobicContact CD-CZ2 3.61Å; K335-W337 HydrophobicContact CG-CZ2 4.47Å; K335-W337 VanDerWaalsContact O-CD1 3.25Å
336	P	97.4	Very high	92.9	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	137	175.4	31.2	-30.7	0	0	0	111.1	L295 Q298 M299 I302 I328 L329 L330	L295-P336 HydrophobicContact CD1-CB 4.04Å; L295-P336 HydrophobicContact CD1-CG 3.94Å; Q298-P336 HydrophobicContact CB-CG 3.58Å; M299-P336 HydrophobicContact CG-CB 3.83Å; M299-P336 HydrophobicContact CG-CG 4.05Å; I302-P336 HydrophobicContact CD1-CB 3.75Å; I302-P336 HydrophobicContact CD1-CG 3.83Å; I328-P336 HydrophobicContact CG2-CB 3.7Å; L329-P336 CarbonylContact O-C 3.55Å; L330-P336 HydrophobicContact CD2-CB 3.81Å
337	W	97.4	Very high	91.8	Very high	25 Å²	25	31.8 Å²	31.8	10%	0.095	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.1	179.8	-65.9	92.5	0	0	0	110.8	F121 P123 I197 I328 L329 D331 K335 I339	F121-W337 CarbonylContact O-C 3.57Å; F121-W337 VanDerWaalsContact O-CA 3.26Å; F121-W337 WeakPolarHBondContact O-CA 3.32Å; P123-W337 HydrophobicContact CG-CE3 4.16Å; I197-W337 HydrophobicContact CD1-CB 3.56Å; I197-W337 HydrophobicContact CD1-CD2 4Å; I197-W337 HydrophobicContact CD1-CG 3.47Å; I197-W337 VanDerWaalsContact CD1-CG 3.47Å; I328-W337 CarbonylContact C-O 3.56Å; I328-W337 VanDerWaalsContact CA-O 3.31Å; I328-W337 WeakPolarHBondContact CA-O 3.26Å; L329-W337 PolarHBondContact N-O 2.94Å; L329-W337 WeakPolarHBondContact O-CB 3.48Å; L329-W337 PolarHBondContact O-N 2.96Å; D331-W337 PolarHBondContact OD2-NE1 3.34Å; K335-W337 HydrophobicContact CD-CH2 4.31Å; K335-W337 HydrophobicContact CD-CZ2 3.61Å; K335-W337 HydrophobicContact CG-CZ2 4.47Å; K335-W337 VanDerWaalsContact O-CD1 3.25Å; W337-I339 HydrophobicContact CB-CD1 4.33Å; W337-I339 PolarHBondContact O-N 2.97Å
338	L	97.1	Very high	90.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.4	171.2	-178	60.7	0	0	0	110.3	M96 L100 F121 P123 I302 Y326 I328 V341	M96-L338 HydrophobicContact SD-CD2 4.14Å; L100-L338 HydrophobicContact CD1-CD2 4.23Å; F121-L338 HydrophobicContact CD2-CB 3.91Å; F121-L338 HydrophobicContact CD2-CD2 4.38Å; F121-L338 HydrophobicContact CE2-CB 4.32Å; F121-L338 HydrophobicContact CE2-CD2 3.94Å; F121-L338 PolarHBondContact O-N 3.49Å; P123-L338 WeakPolarHBondContact CD-O 3.36Å; I302-L338 HydrophobicContact CG2-CB 3.88Å; I302-L338 HydrophobicContact CG2-CD1 4.18Å; I302-L338 HydrophobicContact CG2-CD2 4.19Å; I302-L338 HydrophobicContact CG2-CG 4.32Å; Y326-L338 HydrophobicContact CD1-CD1 3.63Å; Y326-L338 HydrophobicContact CE1-CD1 4.12Å; I328-L338 HydrophobicContact CD1-CB 4.33Å; I328-L338 HydrophobicContact CD1-CD1 3.75Å; L338-V341 HydrophobicContact CD1-CG2 3.93Å; L338-V341 HydrophobicContact CD2-CG2 4.35Å
339	I	93.4	Very high	89.9	Confident	32 Å²	32	37.7 Å²	37.7	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-49.8	-179.9	-55.3	-54.3	0	0	0	111.3	P123 I197 D327 L329 W337	P123-I339 HydrophobicContact CG-CD1 4.42Å; I197-I339 HydrophobicContact CD1-CD1 4.04Å; D327-I339 HydrophobicContact CB-CB 4.39Å; D327-I339 WeakPolarHBondContact O-CB 3.34Å; D327-I339 PolarHBondContact O-N 3.22Å; L329-I339 HydrophobicContact CB-CD1 3.82Å; L329-I339 HydrophobicContact CB-CG1 3.71Å; L329-I339 HydrophobicContact CD2-CD1 4.35Å; W337-I339 HydrophobicContact CB-CD1 4.33Å; W337-I339 PolarHBondContact O-N 2.97Å
340	E	92.3	Very high	89	Confident	24 Å²	24	39.3 Å²	39.3	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	159.6	177.4	58.5	177.9	-139.6	0	0	111.5	K93 D327 N342	K93-E340 IonicContact NZ-OE2 2.75Å; D327-E340 HydrophobicContact CB-CG 3.54Å; D327-E340 PolarHBondContact N-O 2.89Å; D327-E340 WeakPolarHBondContact OD2-CG 3.32Å; D327-E340 VanDerWaalsContact OD2-OE1 3.09Å; E340-N342 PolarHBondContact OE1-ND2 2.89Å
341	V	94.8	Very high	88.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.5	170.4	-174.7	0	0	0	0	108	L90 S91 M96 Y324 Y326 L338	L90-V341 HydrophobicContact CD1-CG2 4.41Å; L90-V341 HydrophobicContact CD2-CG1 4.07Å; L90-V341 HydrophobicContact CG-CB 4.2Å; L90-V341 HydrophobicContact CG-CG1 4Å; L90-V341 HydrophobicContact CG-CG2 4.34Å; S91-V341 WeakPolarHBondContact CA-O 3.49Å; S91-V341 VanDerWaalsContact CB-O 3.27Å; S91-V341 WeakPolarHBondContact CB-O 3.26Å; M96-V341 HydrophobicContact SD-CG2 4Å; Y324-V341 HydrophobicContact CD1-CG1 3.64Å; Y324-V341 HydrophobicContact CE1-CG1 4.44Å; Y324-V341 HydrophobicContact CG-CG1 4Å; Y326-V341 HydrophobicContact CD1-CG2 3.73Å; Y326-V341 HydrophobicContact CD2-CG1 4.17Å; Y326-V341 HydrophobicContact CE1-CG1 4.37Å; Y326-V341 HydrophobicContact CE1-CG2 3.48Å; Y326-V341 VanDerWaalsContact CE1-CG2 3.48Å; Y326-V341 HydrophobicContact CE2-CG1 3.87Å; Y326-V341 HydrophobicContact CE2-CG2 4.46Å; Y326-V341 HydrophobicContact CG-CG2 4.32Å; L338-V341 HydrophobicContact CD1-CG2 3.93Å; L338-V341 HydrophobicContact CD2-CG2 4.35Å
342	N	92.2	Very high	87.8	Confident	35 Å²	35	49.2 Å²	49.2	19%	0.187	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119	-177.3	-70.5	-60.9	0	0	0	109.7	R211 Y324 G325 E340	R211-N342 PolarHBondContact NH2-ND2 3.11Å; Y324-N342 CarbonylContact C-O 3.51Å; Y324-N342 WeakPolarHBondContact CA-O 3.26Å; G325-N342 PolarHBondContact N-O 2.9Å; G325-N342 PolarHBondContact O-N 3.47Å; E340-N342 PolarHBondContact OE1-ND2 2.89Å
343	A	86.4	Confident	87.3	Confident	7 Å²	7	49 Å²	49	6%	0.058	26%	0.26	C	S	.	.	S	Bend	trans	-76	-25.8	177.5	0	0	0	0	0	113.4	H87 E322 Y324 P345	H87-A343 HydrophobicContact CB-CB 4.25Å; H87-A343 WeakPolarHBondContact ND1-CB 3.46Å; E322-A343 WeakPolarHBondContact OE1-CB 3.36Å; Y324-A343 HydrophobicContact CD1-CB 4.3Å; Y324-A343 HydrophobicContact CE1-CB 4.15Å; A343-P345 WeakPolarHBondContact O-CD 3.28Å
344	S	80.7	Confident	86.9	Confident	69 Å²	69	41.3 Å²	41.3	48%	0.483	23%	0.227	S	C	.	.	S	Bend	trans	-123.3	75.3	174	177.6	0	0	0	0	109.5
345	P	82	Confident	86.6	Confident	9 Å²	9	44 Å²	44	6%	0.058	24%	0.237	C	C	.	.			trans	-60.2	145.1	176.8	26.7	-33.3	0	0	0	110.6	Y213 L323 A343 N347	Y213-P345 HydrophobicContact CD1-CG 4.37Å; Y213-P345 HydrophobicContact CE1-CB 3.94Å; Y213-P345 HydrophobicContact CE1-CG 3.99Å; L323-P345 VanDerWaalsContact O-CD 3.25Å; L323-P345 WeakPolarHBondContact O-CD 3.41Å; A343-P345 WeakPolarHBondContact O-CD 3.28Å; P345-N347 PolarHBondContact O-N 3.39Å; P345-N347 VanDerWaalsContact O-N 3.14Å; P345-N347 PolarHBondContact O-OD1 3.01Å
346	S	77	Confident	86.4	Confident	74 Å²	74	44.4 Å²	44.4	52%	0.517	24%	0.24	S	C	.	.			trans	-66.2	116.4	-179.7	176.4	0	0	0	0	111.6	K358	S346-K358 WeakPolarHBondContact O-CE 3.39Å; S346-K358 PolarHBondContact O-NZ 2.86Å
347	N	75.1	Confident	86.1	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.043	24%	0.241	C	C	.	.			trans	-89.4	-1.6	177.3	-67	-27.7	0	0	0	113.7	N35 T36 P345 L362	N35-N347 WeakPolarHBondContact OD1-CB 3.42Å; T36-N347 PolarHBondContact OG1-O 2.9Å; P345-N347 PolarHBondContact O-N 3.39Å; P345-N347 VanDerWaalsContact O-N 3.14Å; P345-N347 PolarHBondContact O-OD1 3.01Å; N347-L362 HydrophobicContact CB-CD1 4.46Å
348	S	75.8	Confident	85.8	Confident	70 Å²	70	43.9 Å²	43.9	49%	0.49	24%	0.238	S	C	.	.			trans	-72.4	123.8	175.7	-51	0	0	0	0	110.3	K358	S348-K358 PolarHBondContact O-NZ 3.31Å
349	P	77.8	Confident	85.7	Confident	61 Å²	61	45.1 Å²	45.1	40%	0.396	24%	0.243	S	C	.	.			trans	-74.4	143.8	-176.9	32.3	-37.2	0	0	0	111.6	D354 Y355	P349-D354 WeakPolarHBondContact CA-OD2 3.35Å; P349-Y355 HydrophobicContact CB-CD2 4.23Å; P349-Y355 HydrophobicContact CB-CG 4.43Å; P349-Y355 HydrophobicContact CG-CD2 3.97Å
350	S	77.3	Confident	85.7	Confident	44 Å²	44	47.9 Å²	47.9	31%	0.308	25%	0.252	S	S	.	.	S	Bend	trans	-99	-20.4	170.8	64	0	0	0	0	114.2	K273 D354	K273-S350 WeakPolarHBondContact CE-OG 3.41Å; K273-S350 PolarHBondContact NZ-OG 3.45Å; S350-D354 PolarHBondContact N-OD2 2.9Å; S350-D354 PolarHBondContact OG-OD2 3.25Å
351	S	81.3	Confident	85.8	Confident	47 Å²	47	46.8 Å²	46.8	33%	0.329	25%	0.247	S	C	.	.	S	Bend	trans	-149.1	172.1	177.6	77	0	0	0	0	109.1	E353 D354 Y355	S351-E353 VanDerWaalsContact C-N 3.33Å; S351-E353 VanDerWaalsContact CB-OE2 3.31Å; S351-E353 WeakPolarHBondContact CB-OE2 3.39Å; S351-E353 PolarHBondContact O-N 3.33Å; S351-E353 PolarHBondContact OG-N 2.81Å; S351-E353 PolarHBondContact OG-OE2 3.2Å; S351-D354 PolarHBondContact O-N 3Å; S351-D354 PolarHBondContact OG-N 3.25Å; S351-Y355 PolarHBondContact O-N 3.29Å
352	R	85.1	Confident	85.9	Confident	183 Å²	183	46.7 Å²	46.7	69%	0.691	25%	0.246	S	C	*	.	H	α-helix	trans	-61.5	-41.8	176.1	-178.8	178.6	172.2	164.1	3.5	111.9	D354 Y355 E356	R352-D354 VanDerWaalsContact C-N 3.31Å; R352-D354 PolarHBondContact O-N 3.18Å; R352-Y355 WeakPolarHBondContact O-CB 3.3Å; R352-Y355 PolarHBondContact O-N 3.43Å; R352-E356 IonicContact CZ-OE1 3.28Å; R352-E356 IonicContact NE-OE1 4Å; R352-E356 PolarHBondContact NE-OE1 2.79Å; R352-E356 IonicContact NH2-OE1 2.89Å; R352-E356 WeakPolarHBondContact O-CG 3.48Å; R352-E356 PolarHBondContact O-N 3.18Å
353	E	84.1	Confident	86	Confident	102 Å²	102	48 Å²	48	48%	0.477	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-37.7	178.5	-55.7	72.3	-157.1	0	0	111.1	S351 E356 M357	S351-E353 VanDerWaalsContact C-N 3.33Å; S351-E353 VanDerWaalsContact CB-OE2 3.31Å; S351-E353 WeakPolarHBondContact CB-OE2 3.39Å; S351-E353 PolarHBondContact O-N 3.33Å; S351-E353 PolarHBondContact OG-N 2.81Å; S351-E353 PolarHBondContact OG-OE2 3.2Å; E353-E356 PolarHBondContact O-N 3.5Å; E353-M357 WeakPolarHBondContact O-CB 3.34Å; E353-M357 PolarHBondContact O-N 3.16Å
354	D	86.3	Confident	86.4	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-38.6	174.7	-166.4	59	0	0	0	111.3	K273 P349 S350 S351 R352 K358	K273-D354 IonicContact NZ-OD1 3.99Å; K273-D354 PolarHBondContact NZ-OD1 3.36Å; K273-D354 IonicContact NZ-OD2 3.45Å; K273-D354 PolarHBondContact NZ-OD2 3.24Å; P349-D354 WeakPolarHBondContact CA-OD2 3.35Å; S350-D354 PolarHBondContact N-OD2 2.9Å; S350-D354 PolarHBondContact OG-OD2 3.25Å; S351-D354 PolarHBondContact O-N 3Å; S351-D354 PolarHBondContact OG-N 3.25Å; R352-D354 VanDerWaalsContact C-N 3.31Å; R352-D354 PolarHBondContact O-N 3.18Å; D354-K358 WeakPolarHBondContact O-CB 3.39Å; D354-K358 WeakPolarHBondContact O-CG 3.31Å; D354-K358 PolarHBondContact O-N 2.95Å; D354-K358 VanDerWaalsContact O-N 3.08Å; D354-K358 WeakPolarHBondContact OD1-CE 3.35Å; D354-K358 IonicContact OD1-NZ 3.54Å; D354-K358 VanDerWaalsContact OD2-CE 3.31Å; D354-K358 WeakPolarHBondContact OD2-CE 3.37Å; D354-K358 IonicContact OD2-NZ 2.89Å; D354-K358 PolarHBondContact OD2-NZ 3.15Å
355	Y	89.6	Confident	87.1	Confident	67 Å²	67	44.4 Å²	44.4	26%	0.263	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-52.4	172.6	176.3	-97.2	0	0	0	111.3	T36 P349 S351 R352 M357 K358 F359	T36-Y355 HydrophobicContact CG2-CD2 3.9Å; T36-Y355 HydrophobicContact CG2-CE2 3.75Å; P349-Y355 HydrophobicContact CB-CD2 4.23Å; P349-Y355 HydrophobicContact CB-CG 4.43Å; P349-Y355 HydrophobicContact CG-CD2 3.97Å; S351-Y355 PolarHBondContact O-N 3.29Å; R352-Y355 WeakPolarHBondContact O-CB 3.3Å; R352-Y355 PolarHBondContact O-N 3.43Å; Y355-M357 VanDerWaalsContact C-N 3.33Å; Y355-M357 PolarHBondContact O-N 2.75Å; Y355-K358 PolarHBondContact O-N 3Å; Y355-F359 HydrophobicContact CE1-CB 4.49Å; Y355-F359 HydrophobicContact CE1-CD2 4.26Å; Y355-F359 AromaticContact CZ-CD2 3.89Å; Y355-F359 VanDerWaalsContact O-CB 3.28Å; Y355-F359 WeakPolarHBondContact O-CB 3.47Å; Y355-F359 PolarHBondContact O-N 2.94Å; Y355-F359 WeakPolarHBondContact OH-CD2 3.41Å
356	E	90.8	Very high	87.7	Confident	65 Å²	65	44 Å²	44	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-41.5	-178.2	-72	178.5	-165.2	0	0	112.2	R352 E353 R360	R352-E356 IonicContact CZ-OE1 3.28Å; R352-E356 IonicContact NE-OE1 4Å; R352-E356 PolarHBondContact NE-OE1 2.79Å; R352-E356 IonicContact NH2-OE1 2.89Å; R352-E356 WeakPolarHBondContact O-CG 3.48Å; R352-E356 PolarHBondContact O-N 3.18Å; E353-E356 PolarHBondContact O-N 3.5Å; E356-R360 VanDerWaalsContact O-CG 3.26Å; E356-R360 WeakPolarHBondContact O-CG 3.46Å; E356-R360 PolarHBondContact O-N 3Å; E356-R360 VanDerWaalsContact O-N 3.1Å; E356-R360 IonicContact OE2-NH2 3.04Å; E356-R360 PolarHBondContact OE2-NH2 3.26Å
357	M	91.2	Very high	88.5	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-45.3	176.8	-178.5	-79.1	-59.8	0	0	111.7	Y213 D229 F231 E353 Y355 R360 L361	Y213-M357 HydrophobicContact CE2-CE 4.16Å; Y213-M357 HydrophobicContact CE2-SD 4.12Å; D229-M357 HydrophobicContact CB-CG 4.27Å; F231-M357 HydrophobicContact CD1-CE 3.54Å; F231-M357 HydrophobicContact CE1-CE 3.71Å; E353-M357 WeakPolarHBondContact O-CB 3.34Å; E353-M357 PolarHBondContact O-N 3.16Å; Y355-M357 VanDerWaalsContact C-N 3.33Å; Y355-M357 PolarHBondContact O-N 2.75Å; M357-R360 PolarHBondContact O-N 3.25Å; M357-L361 WeakPolarHBondContact O-CB 3.45Å; M357-L361 PolarHBondContact O-N 3.01Å
358	K	92.5	Very high	89.5	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-39.2	178.1	-73.5	175.3	-174.2	-175.5	0	112.5	T36 S346 S348 D354 Y355 L361 L362	T36-K358 HydrophobicContact CG2-CB 4.26Å; S346-K358 WeakPolarHBondContact O-CE 3.39Å; S346-K358 PolarHBondContact O-NZ 2.86Å; S348-K358 PolarHBondContact O-NZ 3.31Å; D354-K358 WeakPolarHBondContact O-CB 3.39Å; D354-K358 WeakPolarHBondContact O-CG 3.31Å; D354-K358 PolarHBondContact O-N 2.95Å; D354-K358 VanDerWaalsContact O-N 3.08Å; D354-K358 WeakPolarHBondContact OD1-CE 3.35Å; D354-K358 IonicContact OD1-NZ 3.54Å; D354-K358 VanDerWaalsContact OD2-CE 3.31Å; D354-K358 WeakPolarHBondContact OD2-CE 3.37Å; D354-K358 IonicContact OD2-NZ 2.89Å; D354-K358 PolarHBondContact OD2-NZ 3.15Å; Y355-K358 PolarHBondContact O-N 3Å; K358-L361 WeakPolarHBondContact O-CB 3.39Å; K358-L361 PolarHBondContact O-N 2.77Å; K358-L362 WeakPolarHBondContact O-CB 3.48Å; K358-L362 VanDerWaalsContact O-CG 3.24Å; K358-L362 WeakPolarHBondContact O-CG 3.23Å; K358-L362 PolarHBondContact O-N 2.84Å
359	F	93.8	Very high	90.3	Very high	26 Å²	26	38.6 Å²	38.6	11%	0.114	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-50.9	175.7	-171.3	-78.5	0	0	0	110.1	T36 D39 V40 Q43 Y355 L361 L362 E363	T36-F359 HydrophobicContact CG2-CB 4.13Å; T36-F359 HydrophobicContact CG2-CD2 4.34Å; D39-F359 HydrophobicContact CB-CE2 4.29Å; V40-F359 HydrophobicContact CB-CE2 4.21Å; V40-F359 HydrophobicContact CB-CZ 4.45Å; V40-F359 HydrophobicContact CG2-CB 4.35Å; V40-F359 HydrophobicContact CG2-CD1 4.13Å; V40-F359 HydrophobicContact CG2-CD2 3.35Å; V40-F359 HydrophobicContact CG2-CE1 4.21Å; V40-F359 HydrophobicContact CG2-CE2 3.45Å; V40-F359 VanDerWaalsContact CG2-CE2 3.45Å; V40-F359 HydrophobicContact CG2-CG 3.71Å; V40-F359 HydrophobicContact CG2-CZ 3.88Å; Q43-F359 HydrophobicContact CB-CZ 4.23Å; Q43-F359 HydrophobicContact CG-CZ 4.49Å; Y355-F359 HydrophobicContact CE1-CB 4.49Å; Y355-F359 HydrophobicContact CE1-CD2 4.26Å; Y355-F359 AromaticContact CZ-CD2 3.89Å; Y355-F359 VanDerWaalsContact O-CB 3.28Å; Y355-F359 WeakPolarHBondContact O-CB 3.47Å; Y355-F359 PolarHBondContact O-N 2.94Å; Y355-F359 WeakPolarHBondContact OH-CD2 3.41Å; F359-L361 PolarHBondContact O-N 3.19Å; F359-L362 PolarHBondContact O-N 3.06Å; F359-E363 WeakPolarHBondContact O-CB 3.38Å; F359-E363 PolarHBondContact O-N 3.43Å
360	R	94.4	Very high	91	Very high	91 Å²	91	37 Å²	37	34%	0.343	17%	0.172	S	C	.	.	H	α-helix	trans	-61.7	-41	176.6	-67	174.5	-156	164.2	9.9	112.4	Y227 E356 M357 E363 D364	Y227-R360 VanDerWaalsContact OH-C 3.31Å; Y227-R360 WeakPolarHBondContact OH-CB 3.3Å; E356-R360 VanDerWaalsContact O-CG 3.26Å; E356-R360 WeakPolarHBondContact O-CG 3.46Å; E356-R360 PolarHBondContact O-N 3Å; E356-R360 VanDerWaalsContact O-N 3.1Å; E356-R360 IonicContact OE2-NH2 3.04Å; E356-R360 PolarHBondContact OE2-NH2 3.26Å; M357-R360 PolarHBondContact O-N 3.25Å; R360-E363 PolarHBondContact O-N 2.81Å; R360-D364 VanDerWaalsContact O-CB 3.28Å; R360-D364 WeakPolarHBondContact O-CB 3.28Å; R360-D364 PolarHBondContact O-N 3.22Å
361	L	94.8	Very high	91.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-49.3	176.7	169.4	72.1	0	0	0	111.5	Y213 Y227 L323 M357 K358 F359 T365 Y385	Y213-L361 HydrophobicContact CD1-CD1 4.49Å; Y213-L361 HydrophobicContact CD1-CD2 3.59Å; Y213-L361 HydrophobicContact CD2-CD1 4.29Å; Y213-L361 HydrophobicContact CD2-CD2 3.79Å; Y213-L361 HydrophobicContact CE1-CD2 3.61Å; Y213-L361 HydrophobicContact CE2-CD2 3.84Å; Y213-L361 HydrophobicContact CG-CD1 3.96Å; Y213-L361 HydrophobicContact CG-CD2 3.65Å; Y213-L361 HydrophobicContact CG-CG 4.49Å; Y227-L361 HydrophobicContact CD1-CB 4.37Å; Y227-L361 HydrophobicContact CD1-CD1 3.47Å; Y227-L361 VanDerWaalsContact CD1-CD1 3.47Å; Y227-L361 HydrophobicContact CD1-CG 4.48Å; Y227-L361 HydrophobicContact CD2-CD1 3.71Å; Y227-L361 HydrophobicContact CE1-CB 3.84Å; Y227-L361 HydrophobicContact CE1-CD1 3.8Å; Y227-L361 HydrophobicContact CE1-CG 4.42Å; Y227-L361 HydrophobicContact CE2-CB 4.45Å; Y227-L361 HydrophobicContact CE2-CD1 4.05Å; Y227-L361 HydrophobicContact CG-CD1 3.41Å; Y227-L361 VanDerWaalsContact CG-CD1 3.41Å; Y227-L361 VanDerWaalsContact CZ-CA 3.49Å; Y227-L361 WeakPolarHBondContact OH-CA 3.48Å; Y227-L361 PolarHBondContact OH-N 3.45Å; Y227-L361 VanDerWaalsContact OH-N 3.16Å; L323-L361 HydrophobicContact CD1-CD1 4.42Å; L323-L361 HydrophobicContact CD2-CD2 4.29Å; L323-L361 HydrophobicContact CD2-CG 4.42Å; M357-L361 WeakPolarHBondContact O-CB 3.45Å; M357-L361 PolarHBondContact O-N 3.01Å; K358-L361 WeakPolarHBondContact O-CB 3.39Å; K358-L361 PolarHBondContact O-N 2.77Å; F359-L361 PolarHBondContact O-N 3.19Å; L361-T365 WeakPolarHBondContact O-CB 3.32Å; L361-T365 PolarHBondContact O-N 3.5Å; L361-T365 PolarHBondContact O-OG1 3.32Å; L361-Y385 HydrophobicContact CD1-CE2 4.44Å; L361-Y385 WeakPolarHBondContact CD1-OH 3.49Å
362	L	94.9	Very high	91.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.1	-39.8	-177.8	-65.6	172.8	0	0	0	111.2	T36 I37 V40 W60 L323 N347 K358 F359 D364 T365 L366	T36-L362 HydrophobicContact CG2-CD1 4.24Å; I37-L362 HydrophobicContact CB-CD1 4Å; I37-L362 HydrophobicContact CD1-CB 4.05Å; I37-L362 HydrophobicContact CD1-CD1 4.06Å; I37-L362 HydrophobicContact CD1-CD2 4.18Å; I37-L362 HydrophobicContact CD1-CG 4.31Å; V40-L362 HydrophobicContact CG1-CB 4.34Å; V40-L362 HydrophobicContact CG2-CB 4.06Å; W60-L362 HydrophobicContact CH2-CD2 3.6Å; W60-L362 HydrophobicContact CZ2-CD2 3.81Å; W60-L362 HydrophobicContact CZ3-CD2 4.44Å; L323-L362 HydrophobicContact CD2-CD2 3.97Å; N347-L362 HydrophobicContact CB-CD1 4.46Å; K358-L362 WeakPolarHBondContact O-CB 3.48Å; K358-L362 VanDerWaalsContact O-CG 3.24Å; K358-L362 WeakPolarHBondContact O-CG 3.23Å; K358-L362 PolarHBondContact O-N 2.84Å; F359-L362 PolarHBondContact O-N 3.06Å; L362-D364 VanDerWaalsContact C-N 3.34Å; L362-D364 PolarHBondContact O-N 3.02Å; L362-T365 VanDerWaalsContact O-CB 3.32Å; L362-T365 WeakPolarHBondContact O-CB 3.38Å; L362-T365 PolarHBondContact O-N 2.98Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 2.86Å
363	E	94.6	Very high	92	Very high	63 Å²	63	31.6 Å²	31.6	29%	0.294	16%	0.161	S	C	.	.	H	α-helix	trans	-59.1	-46.1	173.4	-177.4	177.6	-145	0	0	111.5	V40 R44 F359 R360 T365 L366 N367 R421	V40-E363 HydrophobicContact CG1-CB 4.16Å; R44-E363 PolarHBondContact NH1-O 2.82Å; F359-E363 WeakPolarHBondContact O-CB 3.38Å; F359-E363 PolarHBondContact O-N 3.43Å; R360-E363 PolarHBondContact O-N 2.81Å; E363-T365 VanDerWaalsContact C-N 3.3Å; E363-T365 PolarHBondContact O-N 3.13Å; E363-L366 PolarHBondContact O-N 3.32Å; E363-N367 VanDerWaalsContact O-CG 3.23Å; E363-N367 PolarHBondContact O-N 2.88Å; E363-N367 PolarHBondContact O-ND2 3.42Å; E363-R421 IonicContact OE2-CZ 3.43Å; E363-R421 IonicContact OE2-NH1 3.49Å; E363-R421 IonicContact OE2-NH2 2.98Å; E363-R421 PolarHBondContact OE2-NH2 2.9Å
364	D	95.3	Very high	92.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.5	-29.7	177.6	-67.6	-15.4	0	0	0	111.9	Y227 R360 L362 N367 V368 G384 Y385 R421	Y227-D364 HydrophobicContact CE2-CB 4.07Å; R360-D364 VanDerWaalsContact O-CB 3.28Å; R360-D364 WeakPolarHBondContact O-CB 3.28Å; R360-D364 PolarHBondContact O-N 3.22Å; L362-D364 VanDerWaalsContact C-N 3.34Å; L362-D364 PolarHBondContact O-N 3.02Å; D364-N367 WeakPolarHBondContact O-CB 3.32Å; D364-N367 PolarHBondContact O-N 2.88Å; D364-V368 WeakPolarHBondContact O-CG2 3.41Å; D364-V368 PolarHBondContact O-N 3.34Å; D364-G384 PolarHBondContact OD2-N 3.44Å; D364-Y385 HydrophobicContact CB-CD2 3.82Å; D364-Y385 HydrophobicContact CB-CE2 3.95Å; D364-R421 IonicContact OD1-CZ 3.68Å; D364-R421 IonicContact OD1-NE 2.76Å; D364-R421 PolarHBondContact OD1-NE 3.45Å; D364-R421 IonicContact OD1-NH2 3.73Å; D364-R421 PolarHBondContact OD1-NH2 3.42Å; D364-R421 IonicContact OD2-CZ 3.79Å; D364-R421 IonicContact OD2-NE 3.29Å; D364-R421 PolarHBondContact OD2-NE 3.43Å; D364-R421 IonicContact OD2-NH2 3.57Å
365	T	95.9	Very high	92.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-48	172.4	-60.7	0	0	0	0	109.9	W60 L215 F321 L361 L362 E363 N367 V368 V369 Y385	W60-T365 HydrophobicContact CH2-CG2 4.24Å; W60-T365 HydrophobicContact CZ3-CG2 4.25Å; L215-T365 HydrophobicContact CD1-CG2 3.96Å; L215-T365 HydrophobicContact CD2-CG2 4.03Å; F321-T365 HydrophobicContact CD2-CG2 4.44Å; F321-T365 HydrophobicContact CE2-CG2 3.97Å; L361-T365 WeakPolarHBondContact O-CB 3.32Å; L361-T365 PolarHBondContact O-N 3.5Å; L361-T365 PolarHBondContact O-OG1 3.32Å; L362-T365 VanDerWaalsContact O-CB 3.32Å; L362-T365 WeakPolarHBondContact O-CB 3.38Å; L362-T365 PolarHBondContact O-N 2.98Å; E363-T365 VanDerWaalsContact C-N 3.3Å; E363-T365 PolarHBondContact O-N 3.13Å; T365-N367 VanDerWaalsContact C-N 3.3Å; T365-N367 PolarHBondContact O-N 3.07Å; T365-V368 PolarHBondContact O-N 3.08Å; T365-V368 VanDerWaalsContact O-N 3.13Å; T365-V369 WeakPolarHBondContact O-CG2 3.48Å; T365-V369 PolarHBondContact O-N 3.27Å; T365-Y385 PolarHBondContact OG1-OH 3.23Å
366	L	94.4	Very high	92.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-35	177.3	-62.6	178	0	0	0	111.9	V40 L41 W47 F58 W60 L362 E363 V368 V369 D370	V40-L366 HydrophobicContact CG1-CD1 3.85Å; L41-L366 HydrophobicContact CD2-CD1 3.72Å; L41-L366 HydrophobicContact CD2-CD2 4.39Å; W47-L366 HydrophobicContact CH2-CD1 4.36Å; W47-L366 HydrophobicContact CH2-CD2 3.95Å; W47-L366 HydrophobicContact CZ3-CD1 4.49Å; W47-L366 HydrophobicContact CZ3-CD2 4.36Å; F58-L366 HydrophobicContact CE1-CD2 3.87Å; F58-L366 HydrophobicContact CE2-CD2 3.86Å; F58-L366 HydrophobicContact CZ-CD2 3.31Å; W60-L366 HydrophobicContact CZ3-CD2 4.39Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 2.86Å; E363-L366 PolarHBondContact O-N 3.32Å; L366-V368 VanDerWaalsContact C-N 3.31Å; L366-V368 PolarHBondContact O-N 3.06Å; L366-V369 PolarHBondContact O-N 2.85Å; L366-D370 PolarHBondContact O-N 2.9Å
367	N	94.3	Very high	92	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-34.5	173.2	-65.1	-25.8	0	0	0	112.4	R44 E363 D364 T365 R374 L375 V382 F429	R44-N367 PolarHBondContact NH1-OD1 2.82Å; R44-N367 PolarHBondContact NH2-OD1 2.73Å; E363-N367 VanDerWaalsContact O-CG 3.23Å; E363-N367 PolarHBondContact O-N 2.88Å; E363-N367 PolarHBondContact O-ND2 3.42Å; D364-N367 WeakPolarHBondContact O-CB 3.32Å; D364-N367 PolarHBondContact O-N 2.88Å; T365-N367 VanDerWaalsContact C-N 3.3Å; T365-N367 PolarHBondContact O-N 3.07Å; N367-R374 PolarHBondContact OD1-NH2 2.87Å; N367-L375 WeakPolarHBondContact O-CD1 3.41Å; N367-V382 HydrophobicContact CB-CG1 3.84Å; N367-F429 HydrophobicContact CB-CZ 4.23Å
368	V	94.9	Very high	91.8	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-75.9	-39.2	176.2	171.8	0	0	0	0	112.2	L215 T217 W225 D364 T365 L366 D370 V382 Y385	L215-V368 HydrophobicContact CD2-CB 3.74Å; L215-V368 HydrophobicContact CD2-CG1 3.57Å; L215-V368 HydrophobicContact CD2-CG2 4.29Å; T217-V368 HydrophobicContact CG2-CG1 3.82Å; W225-V368 HydrophobicContact CD2-CG1 3.92Å; W225-V368 HydrophobicContact CD2-CG2 4.5Å; W225-V368 HydrophobicContact CE3-CG2 4.48Å; W225-V368 HydrophobicContact CG-CG1 4.13Å; W225-V368 HydrophobicContact CZ2-CG1 3.97Å; D364-V368 WeakPolarHBondContact O-CG2 3.41Å; D364-V368 PolarHBondContact O-N 3.34Å; T365-V368 PolarHBondContact O-N 3.08Å; T365-V368 VanDerWaalsContact O-N 3.13Å; L366-V368 VanDerWaalsContact C-N 3.31Å; L366-V368 PolarHBondContact O-N 3.06Å; V368-D370 PolarHBondContact O-N 2.83Å; V368-V382 HydrophobicContact CG2-CB 3.69Å; V368-V382 HydrophobicContact CG2-CG1 3.79Å; V368-V382 HydrophobicContact CG2-CG2 4.33Å; V368-Y385 HydrophobicContact CG2-CD2 3.79Å; V368-Y385 HydrophobicContact CG2-CG 4.07Å
369	V	93.6	Very high	91.7	Very high	22 Å²	22	42.8 Å²	42.8	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-33.5	174.8	175.2	0	0	0	0	110.7	F58 R80 F321 T365 L366 M371	F58-V369 HydrophobicContact CE2-CG1 4.46Å; R80-V369 HydrophobicContact CB-CG1 4.15Å; R80-V369 HydrophobicContact CG-CG1 3.91Å; F321-V369 HydrophobicContact CB-CG2 4.46Å; F321-V369 HydrophobicContact CD1-CG1 4.23Å; F321-V369 HydrophobicContact CD1-CG2 3.76Å; F321-V369 HydrophobicContact CD2-CG2 3.86Å; F321-V369 HydrophobicContact CE1-CG1 4.23Å; F321-V369 HydrophobicContact CE1-CG2 3.88Å; F321-V369 HydrophobicContact CE2-CG2 3.96Å; F321-V369 HydrophobicContact CG-CG2 3.75Å; F321-V369 HydrophobicContact CZ-CG2 3.98Å; T365-V369 WeakPolarHBondContact O-CG2 3.48Å; T365-V369 PolarHBondContact O-N 3.27Å; L366-V369 PolarHBondContact O-N 2.85Å; V369-M371 HydrophobicContact CG1-CG 4.18Å; V369-M371 HydrophobicContact CG1-SD 4.14Å
370	D	92.3	Very high	91.6	Very high	29 Å²	29	44.9 Å²	44.9	16%	0.155	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	52	169.3	-166.3	35.2	0	0	0	114.8	L366 V368 E372 G373 R374 L375	L366-D370 PolarHBondContact O-N 2.9Å; V368-D370 PolarHBondContact O-N 2.83Å; D370-E372 PolarHBondContact O-N 2.74Å; D370-G373 PolarHBondContact O-N 2.89Å; D370-G373 VanDerWaalsContact O-N 3.13Å; D370-G373 PolarHBondContact OD1-N 2.81Å; D370-G373 WeakPolarHBondContact OD2-CA 3.4Å; D370-R374 VanDerWaalsContact CG-N 3.29Å; D370-R374 PolarHBondContact OD1-N 3.13Å; D370-R374 PolarHBondContact OD2-N 2.64Å; D370-L375 HydrophobicContact CB-CB 4.39Å; D370-L375 HydrophobicContact CB-CD1 3.91Å; D370-L375 HydrophobicContact CB-CG 3.85Å; D370-L375 VanDerWaalsContact OD2-CB 3.25Å; D370-L375 WeakPolarHBondContact OD2-CB 3.39Å; D370-L375 WeakPolarHBondContact OD2-CG 3.46Å; D370-L375 PolarHBondContact OD2-N 3.08Å
371	M	89.5	Confident	91.5	Very high	38 Å²	38	44.6 Å²	44.6	19%	0.187	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.7	173.2	-64.9	-60.6	-68.4	0	0	113.5	V27 W47 D57 F58 H78 R80 V369	V27-M371 HydrophobicContact CG1-CB 4.39Å; V27-M371 HydrophobicContact CG1-CE 4.43Å; V27-M371 HydrophobicContact CG2-CB 4.11Å; W47-M371 HydrophobicContact CH2-CB 4.25Å; W47-M371 HydrophobicContact CH2-CG 3.92Å; W47-M371 HydrophobicContact CZ2-CB 3.87Å; W47-M371 HydrophobicContact CZ2-CG 4.05Å; D57-M371 HydrophobicContact CB-CE 4.15Å; D57-M371 WeakPolarHBondContact O-CE 3.13Å; F58-M371 HydrophobicContact CB-CE 4.33Å; F58-M371 HydrophobicContact CD2-CG 4.01Å; F58-M371 HydrophobicContact CD2-SD 4.22Å; H78-M371 WeakPolarHBondContact O-CE 3.01Å; R80-M371 HydrophobicContact CB-CE 4.47Å; R80-M371 HydrophobicContact CB-SD 3.69Å; R80-M371 HydrophobicContact CG-CE 4.3Å; R80-M371 HydrophobicContact CG-SD 3.29Å; R80-M371 WeakPolarHBondContact CG-SD 3.4Å; V369-M371 HydrophobicContact CG1-CG 4.18Å; V369-M371 HydrophobicContact CG1-SD 4.14Å
372	E	87.7	Confident	91.5	Very high	61 Å²	61	44.6 Å²	44.6	29%	0.285	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3	-177.2	-64.3	145.4	167.5	0	0	112.8	R44 W47 D370 R374	R44-E372 IonicContact CZ-OE1 3.99Å; R44-E372 IonicContact CZ-OE2 3.93Å; R44-E372 IonicContact NE-OE1 2.62Å; R44-E372 PolarHBondContact NE-OE1 3.21Å; R44-E372 IonicContact NE-OE2 3.2Å; R44-E372 IonicContact NH2-OE1 3.59Å; R44-E372 PolarHBondContact NH2-OE1 3.24Å; R44-E372 IonicContact NH2-OE2 2.73Å; R44-E372 PolarHBondContact NH2-OE2 3.2Å; W47-E372 PolarHBondContact NE1-OE1 2.96Å; D370-E372 PolarHBondContact O-N 2.74Å; E372-R374 VanDerWaalsContact C-N 3.33Å; E372-R374 HydrophobicContact CB-CG 3.91Å; E372-R374 PolarHBondContact O-N 3.22Å; E372-R374 IonicContact OE2-CZ 3.58Å; E372-R374 IonicContact OE2-NE 2.98Å; E372-R374 PolarHBondContact OE2-NE 2.77Å; E372-R374 IonicContact OE2-NH2 3.74Å; E372-R374 PolarHBondContact OE2-NH2 3.25Å
373	G	87.2	Confident	91.3	Very high	60 Å²	60	44.6 Å²	44.6	62%	0.619	24%	0.237	S	C	*	.			trans	63	34.1	178.9	0	0	0	0	0	114.2	D370	D370-G373 PolarHBondContact O-N 2.89Å; D370-G373 VanDerWaalsContact O-N 3.13Å; D370-G373 PolarHBondContact OD1-N 2.81Å; D370-G373 WeakPolarHBondContact OD2-CA 3.4Å
374	R	86.7	Confident	91.3	Very high	92 Å²	92	41.6 Å²	41.6	35%	0.347	22%	0.223	S	C	.	.			trans	-84.6	-17.8	-178.6	-64.4	-171	-74.3	157.8	-1.3	113.2	N367 D370 E372 F429	N367-R374 PolarHBondContact OD1-NH2 2.87Å; D370-R374 VanDerWaalsContact CG-N 3.29Å; D370-R374 PolarHBondContact OD1-N 3.13Å; D370-R374 PolarHBondContact OD2-N 2.64Å; E372-R374 VanDerWaalsContact C-N 3.33Å; E372-R374 HydrophobicContact CB-CG 3.91Å; E372-R374 PolarHBondContact O-N 3.22Å; E372-R374 IonicContact OE2-CZ 3.58Å; E372-R374 IonicContact OE2-NE 2.98Å; E372-R374 PolarHBondContact OE2-NE 2.77Å; E372-R374 IonicContact OE2-NH2 3.74Å; E372-R374 PolarHBondContact OE2-NH2 3.25Å; R374-F429 HydrophobicContact CB-CD1 4.06Å; R374-F429 HydrophobicContact CB-CE1 3.64Å; R374-F429 HydrophobicContact CG-CE1 4.31Å; R374-F429 VanDerWaalsContact CZ-CE1 3.4Å; R374-F429 VanDerWaalsContact NH1-CD1 3.34Å; R374-F429 VanDerWaalsContact NH1-CD2 3.26Å; R374-F429 VanDerWaalsContact NH1-CE1 3.28Å
375	L	90.2	Very high	91.3	Very high	33 Å²	33	41.6 Å²	41.6	17%	0.173	22%	0.223	C	C	.	.			trans	-92.5	148.8	-178	-55.2	-170.8	0	0	0	111.8	N367 D370 E379 V382 L428	N367-L375 WeakPolarHBondContact O-CD1 3.41Å; D370-L375 HydrophobicContact CB-CB 4.39Å; D370-L375 HydrophobicContact CB-CD1 3.91Å; D370-L375 HydrophobicContact CB-CG 3.85Å; D370-L375 VanDerWaalsContact OD2-CB 3.25Å; D370-L375 WeakPolarHBondContact OD2-CB 3.39Å; D370-L375 WeakPolarHBondContact OD2-CG 3.46Å; D370-L375 PolarHBondContact OD2-N 3.08Å; L375-E379 HydrophobicContact CD2-CG 4.31Å; L375-V382 HydrophobicContact CD1-CG2 4.01Å; L375-V382 HydrophobicContact CD2-CG1 4.45Å; L375-V382 HydrophobicContact CD2-CG2 4.3Å; L375-L428 HydrophobicContact CD2-CD1 4.21Å; L375-L428 HydrophobicContact CD2-CD2 3.52Å; L375-L428 HydrophobicContact CD2-CG 4.43Å
376	T	87.1	Confident	91.3	Very high	109 Å²	109	41.6 Å²	41.6	67%	0.669	22%	0.223	S	C	*	.			trans	-87.4	-12.8	175.7	68.9	0	0	0	0	113.1	K378 E379	T376-K378 VanDerWaalsContact C-N 3.33Å; T376-K378 PolarHBondContact OG1-N 3.43Å; T376-E379 WeakPolarHBondContact CA-OE1 3.38Å; T376-E379 VanDerWaalsContact CB-OE1 3.32Å; T376-E379 WeakPolarHBondContact CB-OE1 3.18Å; T376-E379 PolarHBondContact N-OE1 2.94Å; T376-E379 PolarHBondContact N-OE2 3.46Å; T376-E379 PolarHBondContact OG1-OE1 3.21Å; T376-E379 PolarHBondContact OG1-OE2 3.36Å
377	G	86	Confident	91.3	Very high	46 Å²	46	42 Å²	42	47%	0.474	23%	0.225	S	C	.	.	S	Bend	trans	86.9	-4.3	-176.4	0	0	0	0	0	114.7	E379	G377-E379 WeakPolarHBondContact CA-OE2 3.2Å; G377-E379 PolarHBondContact N-OE2 2.92Å
378	K	86.9	Confident	91.3	Very high	182 Å²	182	42.1 Å²	42.1	79%	0.791	23%	0.226	S	C	*	.			trans	-101.2	-1.2	-179.9	-64.7	-179.7	-179.3	176.7	0	113.3	T376 K380	T376-K378 VanDerWaalsContact C-N 3.33Å; T376-K378 PolarHBondContact OG1-N 3.43Å; K378-K380 PolarHBondContact O-N 2.84Å
379	E	91.2	Very high	91.3	Very high	31 Å²	31	43.5 Å²	43.5	15%	0.145	23%	0.23	C	C	.	.			trans	-64.7	124.8	-176.7	-65.6	71.5	-158.5	0	0	110.6	W225 L375 T376 G377 V382 L428	W225-E379 WeakPolarHBondContact CH2-O 3.43Å; L375-E379 HydrophobicContact CD2-CG 4.31Å; T376-E379 WeakPolarHBondContact CA-OE1 3.38Å; T376-E379 VanDerWaalsContact CB-OE1 3.32Å; T376-E379 WeakPolarHBondContact CB-OE1 3.18Å; T376-E379 PolarHBondContact N-OE1 2.94Å; T376-E379 PolarHBondContact N-OE2 3.46Å; T376-E379 PolarHBondContact OG1-OE1 3.21Å; T376-E379 PolarHBondContact OG1-OE2 3.36Å; G377-E379 WeakPolarHBondContact CA-OE2 3.2Å; G377-E379 PolarHBondContact N-OE2 2.92Å; E379-V382 HydrophobicContact CB-CG2 3.83Å; E379-V382 HydrophobicContact CG-CG2 4.33Å; E379-L428 HydrophobicContact CG-CD1 3.98Å
380	K	91.6	Very high	91.4	Very high	70 Å²	70	45.9 Å²	45.9	30%	0.304	24%	0.242	S	C	.	.	S	Bend	trans	-87.9	-11.8	170.5	-66.5	-179.1	176.9	176.2	0	112.5	K378 L387 V394 E397 N412	K378-K380 PolarHBondContact O-N 2.84Å; K380-L387 WeakPolarHBondContact O-CB 3.31Å; K380-L387 PolarHBondContact O-N 3.25Å; K380-V394 HydrophobicContact CD-CG1 4.14Å; K380-V394 HydrophobicContact CG-CG1 4.11Å; K380-E397 IonicContact NZ-OE1 2.75Å; K380-E397 PolarHBondContact NZ-OE1 2.97Å; K380-N412 PolarHBondContact O-ND2 2.81Å
381	R	92.9	Very high	91.4	Very high	84 Å²	84	49.9 Å²	49.9	32%	0.317	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	137.3	-178.1	-61.1	-166.6	-72.8	158.1	-4.6	109.5	Y385 D420 Q424	R381-Y385 VanDerWaalsContact CA-O 3.3Å; R381-Y385 WeakPolarHBondContact CA-O 3.27Å; R381-D420 IonicContact CZ-OD2 3.11Å; R381-D420 IonicContact NH1-OD1 3.9Å; R381-D420 PolarHBondContact NH1-OD1 3.37Å; R381-D420 IonicContact NH1-OD2 3.02Å; R381-D420 PolarHBondContact NH1-OD2 3.42Å; R381-D420 IonicContact NH2-OD2 3.78Å; R381-Q424 VanDerWaalsContact C-NE2 3.34Å; R381-Q424 PolarHBondContact O-NE2 3.31Å
382	V	93.7	Very high	91.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	111.2	175.8	-178.9	0	0	0	0	108.1	W225 N367 V368 L375 E379 G384 Y385 L428	W225-V382 HydrophobicContact CH2-CG2 4.11Å; W225-V382 HydrophobicContact CZ3-CG2 3.97Å; N367-V382 HydrophobicContact CB-CG1 3.84Å; V368-V382 HydrophobicContact CG2-CB 3.69Å; V368-V382 HydrophobicContact CG2-CG1 3.79Å; V368-V382 HydrophobicContact CG2-CG2 4.33Å; L375-V382 HydrophobicContact CD1-CG2 4.01Å; L375-V382 HydrophobicContact CD2-CG1 4.45Å; L375-V382 HydrophobicContact CD2-CG2 4.3Å; E379-V382 HydrophobicContact CB-CG2 3.83Å; E379-V382 HydrophobicContact CG-CG2 4.33Å; V382-G384 PolarHBondContact O-N 2.95Å; V382-Y385 PolarHBondContact N-O 3.26Å; V382-Y385 WeakPolarHBondContact O-CB 3.49Å; V382-Y385 PolarHBondContact O-N 3.32Å; V382-L428 HydrophobicContact CG2-CD1 4.33Å
383	G	92.3	Very high	91.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-126.1	-172	0	0	0	0	0	112.2	Y385	G383-Y385 VanDerWaalsContact C-N 3.33Å
384	G	93.1	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.7	173	0	0	0	0	0	115.3	Y227 R228 D364 V382	Y227-G384 WeakPolarHBondContact CD2-O 3.49Å; R228-G384 WeakPolarHBondContact CB-O 3.28Å; R228-G384 VanDerWaalsContact CG-O 3.23Å; R228-G384 WeakPolarHBondContact CG-O 3.38Å; R228-G384 PolarHBondContact N-O 3.5Å; D364-G384 PolarHBondContact OD2-N 3.44Å; V382-G384 PolarHBondContact O-N 2.95Å
385	Y	95.6	Very high	91.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.2	177.2	-78.1	-77.2	0	0	0	112.7	L215 W225 L226 Y227 L323 L361 D364 T365 V368 R381 V382 G383	L215-Y385 HydrophobicContact CB-CD1 4.27Å; L215-Y385 HydrophobicContact CB-CE1 3.53Å; L215-Y385 HydrophobicContact CD2-CE1 4.22Å; L215-Y385 HydrophobicContact CD2-CE2 4.26Å; W225-Y385 HydrophobicContact CB-CD1 3.59Å; W225-Y385 HydrophobicContact CB-CE1 4.32Å; W225-Y385 HydrophobicContact CB-CG 4.18Å; L226-Y385 WeakPolarHBondContact O-CA 3.3Å; Y227-Y385 AromaticContact CD2-CD1 3.97Å; Y227-Y385 HydrophobicContact CD2-CD1 3.97Å; Y227-Y385 AromaticContact CD2-CD2 3.72Å; Y227-Y385 HydrophobicContact CD2-CD2 3.72Å; Y227-Y385 AromaticContact CD2-CE1 3.89Å; Y227-Y385 HydrophobicContact CD2-CE1 3.89Å; Y227-Y385 AromaticContact CD2-CE2 3.58Å; Y227-Y385 HydrophobicContact CD2-CE2 3.58Å; Y227-Y385 AromaticContact CD2-CG 3.89Å; Y227-Y385 HydrophobicContact CD2-CG 3.89Å; Y227-Y385 AromaticContact CD2-CZ 3.69Å; Y227-Y385 HydrophobicContact CE2-CD2 4.17Å; Y227-Y385 HydrophobicContact CE2-CE2 4.05Å; Y227-Y385 HydrophobicContact CG-CE1 4.23Å; L323-Y385 VanDerWaalsContact CD1-OH 3.26Å; L323-Y385 WeakPolarHBondContact CD1-OH 3.46Å; L361-Y385 HydrophobicContact CD1-CE2 4.44Å; L361-Y385 WeakPolarHBondContact CD1-OH 3.49Å; D364-Y385 HydrophobicContact CB-CD2 3.82Å; D364-Y385 HydrophobicContact CB-CE2 3.95Å; T365-Y385 PolarHBondContact OG1-OH 3.23Å; V368-Y385 HydrophobicContact CG2-CD2 3.79Å; V368-Y385 HydrophobicContact CG2-CG 4.07Å; R381-Y385 VanDerWaalsContact CA-O 3.3Å; R381-Y385 WeakPolarHBondContact CA-O 3.27Å; V382-Y385 PolarHBondContact N-O 3.26Å; V382-Y385 WeakPolarHBondContact O-CB 3.49Å; V382-Y385 PolarHBondContact O-N 3.32Å; G383-Y385 VanDerWaalsContact C-N 3.33Å
386	D	95.3	Very high	91.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.1	166.1	-57.5	-52.9	0	0	0	110.3	W225 L226 R228 M388 N412 Y414	W225-D386 CarbonylContact C-O 3.6Å; W225-D386 VanDerWaalsContact CA-O 3.3Å; W225-D386 WeakPolarHBondContact CA-O 3.22Å; L226-D386 PolarHBondContact N-O 3.01Å; L226-D386 PolarHBondContact O-N 2.87Å; R228-D386 WeakPolarHBondContact CG-OD2 3.43Å; R228-D386 IonicContact CZ-OD1 3.84Å; R228-D386 IonicContact CZ-OD2 3.16Å; R228-D386 IonicContact NE-OD1 2.63Å; R228-D386 PolarHBondContact NE-OD1 2.91Å; R228-D386 IonicContact NE-OD2 2.78Å; R228-D386 PolarHBondContact NE-OD2 2.8Å; R228-D386 IonicContact NH2-OD1 3.97Å; R228-D386 PolarHBondContact NH2-OD1 3.48Å; R228-D386 IonicContact NH2-OD2 3.23Å; D386-M388 PolarHBondContact O-N 3.39Å; D386-M388 VanDerWaalsContact O-N 3.14Å; D386-N412 WeakPolarHBondContact CB-O 3.4Å; D386-Y414 WeakPolarHBondContact OD1-CD2 3.37Å; D386-Y414 WeakPolarHBondContact OD2-CB 3Å; D386-Y414 WeakPolarHBondContact OD2-CD2 3.44Å; D386-Y414 PolarHBondContact OD2-N 3.04Å
387	L	95.6	Very high	90.6	Very high	8 Å²	8	50 Å²	50	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	109.5	173.2	-175.6	64.7	0	0	0	108.7	K223 W225 K380 N390 V394 N412	K223-L387 HydrophobicContact CG-CD1 3.92Å; W225-L387 HydrophobicContact CD2-CB 4.27Å; W225-L387 HydrophobicContact CD2-CD1 3.71Å; W225-L387 HydrophobicContact CE3-CB 3.67Å; W225-L387 HydrophobicContact CE3-CD1 4Å; W225-L387 HydrophobicContact CE3-CG 4.42Å; W225-L387 HydrophobicContact CG-CD1 4.31Å; W225-L387 HydrophobicContact CH2-CB 4.1Å; W225-L387 HydrophobicContact CH2-CD1 3.99Å; W225-L387 HydrophobicContact CH2-CD2 4.41Å; W225-L387 HydrophobicContact CH2-CG 4.4Å; W225-L387 HydrophobicContact CZ2-CD1 3.72Å; W225-L387 HydrophobicContact CZ3-CB 3.58Å; W225-L387 HydrophobicContact CZ3-CD1 4.14Å; W225-L387 HydrophobicContact CZ3-CG 4.33Å; K380-L387 WeakPolarHBondContact O-CB 3.31Å; K380-L387 PolarHBondContact O-N 3.25Å; L387-N390 HydrophobicContact CD1-CB 4.33Å; L387-N390 HydrophobicContact CD2-CB 4Å; L387-N390 HydrophobicContact CG-CB 4.37Å; L387-V394 HydrophobicContact CD2-CG1 4.49Å; L387-V394 HydrophobicContact CD2-CG2 4.04Å; L387-V394 HydrophobicContact CG-CG2 3.97Å; L387-V394 WeakPolarHBondContact O-CB 3.41Å; L387-N412 PolarHBondContact O-ND2 3.29Å
388	M	94.9	Very high	89.1	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.044	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-31.4	-178.8	68.7	176.3	-39.4	0	0	112.3	V214 A224 L226 F303 I304 D386 V394 T413	V214-M388 HydrophobicContact CG1-SD 4.48Å; A224-M388 HydrophobicContact CB-CG 3.99Å; A224-M388 HydrophobicContact CB-SD 4.23Å; A224-M388 VanDerWaalsContact O-CG 3.26Å; A224-M388 WeakPolarHBondContact O-CG 3.22Å; A224-M388 PolarHBondContact O-N 3.34Å; L226-M388 HydrophobicContact CB-SD 4.19Å; F303-M388 HydrophobicContact CB-CE 3.94Å; F303-M388 HydrophobicContact CB-SD 4.35Å; F303-M388 HydrophobicContact CD2-CE 4.31Å; I304-M388 HydrophobicContact CD1-CE 3.36Å; I304-M388 HydrophobicContact CD1-CG 3.84Å; I304-M388 HydrophobicContact CD1-SD 3.68Å; I304-M388 HydrophobicContact CG1-CE 3.57Å; D386-M388 PolarHBondContact O-N 3.39Å; D386-M388 VanDerWaalsContact O-N 3.14Å; M388-V394 PolarHBondContact O-N 3.2Å; M388-V394 VanDerWaalsContact O-N 3.13Å; M388-T413 HydrophobicContact CB-CG2 3.88Å
389	W	94.9	Very high	87.2	Confident	40 Å²	40	49.8 Å²	49.8	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	131.5	-176.4	-165.4	-85.6	0	0	0	111.3	L222 K223 A224 I304 Q308 G392 P393	L222-W389 HydrophobicContact CD2-CG 4.39Å; L222-W389 VanDerWaalsContact O-CD1 3.29Å; K223-W389 WeakPolarHBondContact CA-O 3.45Å; A224-W389 HydrophobicContact CB-CB 4.27Å; A224-W389 PolarHBondContact N-O 3.4Å; A224-W389 PolarHBondContact O-N 3.03Å; I304-W389 HydrophobicContact CD1-CB 3.7Å; I304-W389 HydrophobicContact CD1-CD2 4.19Å; I304-W389 HydrophobicContact CD1-CE3 3.85Å; I304-W389 HydrophobicContact CD1-CG 4.17Å; I304-W389 HydrophobicContact CG1-CE3 4.15Å; I304-W389 HydrophobicContact CG2-CD2 4.3Å; I304-W389 HydrophobicContact CG2-CE3 3.65Å; I304-W389 HydrophobicContact CG2-CH2 4.3Å; I304-W389 HydrophobicContact CG2-CZ3 3.64Å; Q308-W389 VanDerWaalsContact NE2-CZ2 3.33Å; W389-G392 CarbonylContact C-O 3.55Å; W389-G392 WeakPolarHBondContact CA-O 3.45Å; W389-G392 VanDerWaalsContact NE1-N 3.15Å; W389-P393 HydrophobicContact CE3-CB 4.13Å; W389-P393 HydrophobicContact CZ3-CB 3.9Å; W389-P393 HydrophobicContact CZ3-CG 4.24Å
390	N	94.4	Very high	85	Confident	71 Å²	71	58.4 Å²	58.4	38%	0.38	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	85.5	175	-176.6	26.9	0	0	0	109.3	L387 G392 V394	L387-N390 HydrophobicContact CD1-CB 4.33Å; L387-N390 HydrophobicContact CD2-CB 4Å; L387-N390 HydrophobicContact CG-CB 4.37Å; N390-G392 PolarHBondContact N-O 3.05Å; N390-G392 PolarHBondContact O-N 3.07Å; N390-V394 HydrophobicContact CB-CG2 3.9Å
391	N	92.1	Very high	82.9	Confident	114 Å²	114	59.1 Å²	59.1	61%	0.61	28%	0.282	S	S	*	.	S	Bend	trans	52.2	23.5	-168.1	-153.8	37	0	0	0	114.5	P221 L222	P221-N391 HydrophobicContact CB-CB 3.74Å; P221-N391 WeakPolarHBondContact CB-OD1 3.48Å; L222-N391 PolarHBondContact O-N 2.87Å
392	G	91.6	Very high	80.4	Confident	16 Å²	16	64.1 Å²	64.1	17%	0.165	31%	0.309	C	S	.	.	S	Bend	trans	161.3	162.5	-171.1	0	0	0	0	0	110.3	W389 N390 V394	W389-G392 CarbonylContact C-O 3.55Å; W389-G392 WeakPolarHBondContact CA-O 3.45Å; W389-G392 VanDerWaalsContact NE1-N 3.15Å; N390-G392 PolarHBondContact N-O 3.05Å; N390-G392 PolarHBondContact O-N 3.07Å; G392-V394 PolarHBondContact O-N 2.97Å
393	P	91.2	Very high	78	Confident	61 Å²	61	69.5 Å²	69.5	40%	0.396	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-64.3	135.2	178.7	26.9	-33.2	0	0	0	110.6	W389 Y395	W389-P393 HydrophobicContact CE3-CB 4.13Å; W389-P393 HydrophobicContact CZ3-CB 3.9Å; W389-P393 HydrophobicContact CZ3-CG 4.24Å; P393-Y395 HydrophobicContact CB-CE1 4.04Å; P393-Y395 HydrophobicContact CB-CE2 4.2Å; P393-Y395 HydrophobicContact CG-CE1 4.4Å; P393-Y395 HydrophobicContact CG-CE2 3.89Å; P393-Y395 WeakPolarHBondContact CG-OH 3.47Å
394	V	91.6	Very high	75.6	Confident	18 Å²	18	77.7 Å²	77.7	11%	0.109	38%	0.378	C	S	.	.			trans	-99.5	126.4	175.6	179.4	0	0	0	0	109.4	K380 L387 M388 N390 G392 N412	K380-V394 HydrophobicContact CD-CG1 4.14Å; K380-V394 HydrophobicContact CG-CG1 4.11Å; L387-V394 HydrophobicContact CD2-CG1 4.49Å; L387-V394 HydrophobicContact CD2-CG2 4.04Å; L387-V394 HydrophobicContact CG-CG2 3.97Å; L387-V394 WeakPolarHBondContact O-CB 3.41Å; M388-V394 PolarHBondContact O-N 3.2Å; M388-V394 VanDerWaalsContact O-N 3.13Å; N390-V394 HydrophobicContact CB-CG2 3.9Å; G392-V394 PolarHBondContact O-N 2.97Å; V394-N412 HydrophobicContact CB-CB 4.43Å; V394-N412 HydrophobicContact CG1-CB 3.96Å; V394-N412 VanDerWaalsContact O-CB 3.32Å; V394-N412 WeakPolarHBondContact O-CB 3.37Å; V394-N412 PolarHBondContact O-N 2.68Å
395	Y	88.6	Confident	73.1	Confident	91 Å²	91	82.2 Å²	82.2	36%	0.357	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-108.1	155.4	-177.1	-55.5	-66.4	0	0	0	112.2	P393 F409 T410	P393-Y395 HydrophobicContact CB-CE1 4.04Å; P393-Y395 HydrophobicContact CB-CE2 4.2Å; P393-Y395 HydrophobicContact CG-CE1 4.4Å; P393-Y395 HydrophobicContact CG-CE2 3.89Å; P393-Y395 WeakPolarHBondContact CG-OH 3.47Å; Y395-F409 HydrophobicContact CD1-CB 3.49Å; Y395-F409 VanDerWaalsContact CD1-CB 3.49Å; Y395-F409 HydrophobicContact CD1-CG 4.45Å; Y395-F409 HydrophobicContact CD2-CB 4.07Å; Y395-F409 AromaticContact CD2-CD1 3.93Å; Y395-F409 HydrophobicContact CD2-CD1 3.93Å; Y395-F409 HydrophobicContact CD2-CG 4.18Å; Y395-F409 HydrophobicContact CE1-CB 3.53Å; Y395-F409 HydrophobicContact CE1-CG 4.46Å; Y395-F409 HydrophobicContact CE2-CB 4.12Å; Y395-F409 HydrophobicContact CE2-CD1 4.34Å; Y395-F409 HydrophobicContact CE2-CG 4.21Å; Y395-F409 HydrophobicContact CG-CB 3.75Å; Y395-F409 HydrophobicContact CG-CD1 4.1Å; Y395-F409 HydrophobicContact CG-CG 4.27Å; Y395-T410 WeakPolarHBondContact CA-O 3.4Å
396	R	82.9	Confident	70.5	Confident	67 Å²	67	86.3 Å²	86.3	25%	0.253	45%	0.453	S	S	.	.			trans	-67.2	142.3	171.8	-61.1	-179	-174.8	-169.6	-0.9	110.1	D398 T410 A411 N412 T413 Y414	R396-D398 PolarHBondContact O-N 2.75Å; R396-D398 VanDerWaalsContact O-N 3.15Å; R396-T410 HydrophobicContact CG-CG2 4.47Å; R396-T410 PolarHBondContact N-O 3.18Å; R396-A411 WeakPolarHBondContact CG-O 3.49Å; R396-A411 PolarHBondContact NE-O 2.95Å; R396-N412 HydrophobicContact CG-CB 4.4Å; R396-T413 PolarHBondContact NH2-O 3.28Å; R396-Y414 VanDerWaalsContact CD-OH 3.26Å; R396-Y414 WeakPolarHBondContact CD-OH 3.25Å; R396-Y414 HydrophobicContact CG-CE2 4.46Å; R396-Y414 VanDerWaalsContact NE-CZ 3.32Å; R396-Y414 PolarHBondContact NE-OH 2.89Å
397	E	65.9	Low	67.9	Low	141 Å²	141	90.4 Å²	90.4	66%	0.659	48%	0.482	S	S	*	.			trans	-84.3	64.2	168.6	-71.5	168.5	-164.5	0	0	109.1	K380 I399	K380-E397 IonicContact NZ-OE1 2.75Å; K380-E397 PolarHBondContact NZ-OE1 2.97Å; E397-I399 PolarHBondContact O-N 2.94Å
398	D	55	Low	65.7	Low	83 Å²	83	94 Å²	94	44%	0.444	51%	0.507	S	S	.	.			trans	-78	95.8	172.5	-71.2	-33.1	0	0	0	108.2	R396 Y400	R396-D398 PolarHBondContact O-N 2.75Å; R396-D398 VanDerWaalsContact O-N 3.15Å; D398-Y400 PolarHBondContact O-N 2.84Å
399	I	47.3	Very low	64.2	Low	141 Å²	141	99.9 Å²	99.9	72%	0.723	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-8.6	-178.7	-71.2	167.3	0	0	0	113.3	E397	E397-I399 PolarHBondContact O-N 2.94Å
400	Y	44.9	Very low	63.2	Low	212 Å²	212	100.5 Å²	100.5	83%	0.831	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.4	-170.9	-70.2	-79.3	0	0	0	116.4	D398	D398-Y400 PolarHBondContact O-N 2.84Å
401	L	46.7	Very low	62.7	Low	85 Å²	85	98.9 Å²	98.9	45%	0.445	54%	0.537	S	S	.	.			trans	-101.5	3.4	-175.6	-93.9	153.4	0	0	0	115.2	T403	L401-T403 PolarHBondContact O-N 3.34Å
402	Q	40.4	Very low	62.6	Low	190 Å²	190	93.8 Å²	93.8	89%	0.888	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.1	174.4	-78.2	-172.6	-4.7	0	0	114
403	T	43.6	Very low	62.5	Low	113 Å²	113	93.7 Å²	93.7	69%	0.693	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-7.2	-176.1	-27.4	0	0	0	0	114.6	L401	L401-T403 PolarHBondContact O-N 3.34Å
404	F	41.3	Very low	62.5	Low	172 Å²	172	93.1 Å²	93.1	75%	0.754	50%	0.496	S	S	*	.	S	Bend	trans	-140.7	69.7	-179.5	-72.5	-79	0	0	0	112.7	S406	F404-S406 PolarHBondContact O-N 3.21Å
405	G	41.3	Very low	62.5	Low	95 Å²	95	92.3 Å²	92.3	98%	0.979	49%	0.492	S	S	*	.	S	Bend	trans	48.5	3.3	146.8	0	0	0	0	0	121.7
406	S	40.4	Very low	62.5	Low	85 Å²	85	88.2 Å²	88.2	59%	0.594	48%	0.477	S	S	*	.			trans	-142.2	101.1	-176.3	-160.4	0	0	0	0	107.9	F404 C408	F404-S406 PolarHBondContact O-N 3.21Å; S406-C408 PolarHBondContact O-N 3.12Å
407	S	40.9	Very low	62.8	Low	86 Å²	86	86.6 Å²	86.6	60%	0.601	48%	0.475	S	S	*	.			trans	-72.7	79.7	174.5	46.5	0	0	0	0	109.6	F409	S407-F409 VanDerWaalsContact C-N 3.3Å; S407-F409 WeakPolarHBondContact O-CD2 3.4Å; S407-F409 PolarHBondContact O-N 2.64Å
408	C	50.4	Low	63.7	Low	84 Å²	84	86 Å²	86	57%	0.568	48%	0.476	S	S	*	.			trans	-73.4	89.2	168.6	-163.9	0	0	0	0	108.5	S406 T410	S406-C408 PolarHBondContact O-N 3.12Å; C408-T410 PolarHBondContact O-N 2.95Å
409	F	63.3	Low	65	Low	133 Å²	133	84.3 Å²	84.3	58%	0.583	47%	0.467	S	S	*	.			trans	-66.3	108.6	177	-66.8	-74.7	0	0	0	110	Y395 S407	Y395-F409 HydrophobicContact CD1-CB 3.49Å; Y395-F409 VanDerWaalsContact CD1-CB 3.49Å; Y395-F409 HydrophobicContact CD1-CG 4.45Å; Y395-F409 HydrophobicContact CD2-CB 4.07Å; Y395-F409 AromaticContact CD2-CD1 3.93Å; Y395-F409 HydrophobicContact CD2-CD1 3.93Å; Y395-F409 HydrophobicContact CD2-CG 4.18Å; Y395-F409 HydrophobicContact CE1-CB 3.53Å; Y395-F409 HydrophobicContact CE1-CG 4.46Å; Y395-F409 HydrophobicContact CE2-CB 4.12Å; Y395-F409 HydrophobicContact CE2-CD1 4.34Å; Y395-F409 HydrophobicContact CE2-CG 4.21Å; Y395-F409 HydrophobicContact CG-CB 3.75Å; Y395-F409 HydrophobicContact CG-CD1 4.1Å; Y395-F409 HydrophobicContact CG-CG 4.27Å; S407-F409 VanDerWaalsContact C-N 3.3Å; S407-F409 WeakPolarHBondContact O-CD2 3.4Å; S407-F409 PolarHBondContact O-N 2.64Å
410	T	74.4	Confident	66.7	Low	53 Å²	53	80 Å²	80	33%	0.325	45%	0.445	S	S	.	.			trans	-87.6	128.8	178.6	-60.1	0	0	0	0	109.7	Y395 R396 C408	Y395-T410 WeakPolarHBondContact CA-O 3.4Å; R396-T410 HydrophobicContact CG-CG2 4.47Å; R396-T410 PolarHBondContact N-O 3.18Å; C408-T410 PolarHBondContact O-N 2.95Å
411	A	83.1	Confident	68.9	Low	37 Å²	37	70.6 Å²	70.6	31%	0.306	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-59.2	141	178.8	0	0	0	0	0	111.5	R396 T413	R396-A411 WeakPolarHBondContact CG-O 3.49Å; R396-A411 PolarHBondContact NE-O 2.95Å; A411-T413 PolarHBondContact O-N 3.36Å
412	N	89.1	Confident	70.8	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.032	41%	0.408	C	S	.	.	S	Bend	trans	-78.3	63.3	175.6	-176.6	55	0	0	0	111	K380 D386 L387 V394 R396	K380-N412 PolarHBondContact O-ND2 2.81Å; D386-N412 WeakPolarHBondContact CB-O 3.4Å; L387-N412 PolarHBondContact O-ND2 3.29Å; V394-N412 HydrophobicContact CB-CB 4.43Å; V394-N412 HydrophobicContact CG1-CB 3.96Å; V394-N412 VanDerWaalsContact O-CB 3.32Å; V394-N412 WeakPolarHBondContact O-CB 3.37Å; V394-N412 PolarHBondContact O-N 2.68Å; R396-N412 HydrophobicContact CG-CB 4.4Å
413	T	89.9	Confident	73	Confident	14 Å²	14	69 Å²	69	9%	0.086	40%	0.397	C	S	.	.			trans	-133.6	130.7	-179.7	52.9	0	0	0	0	109.6	L226 D300 M388 R396 A411	L226-T413 HydrophobicContact CD2-CG2 3.74Å; D300-T413 WeakPolarHBondContact OD2-CB 3.45Å; D300-T413 PolarHBondContact OD2-OG1 3.23Å; M388-T413 HydrophobicContact CB-CG2 3.88Å; R396-T413 PolarHBondContact NH2-O 3.28Å; A411-T413 PolarHBondContact O-N 3.36Å
414	Y	91.1	Very high	75.1	Confident	49 Å²	49	64.7 Å²	64.7	19%	0.192	37%	0.368	C	S	.	.			trans	-126.6	32.7	-177.4	-63.6	-99.7	0	0	0	112	R228 D386 R396 G416 C417	R228-Y414 VanDerWaalsContact NH2-CD2 3.31Å; D386-Y414 WeakPolarHBondContact OD1-CD2 3.37Å; D386-Y414 WeakPolarHBondContact OD2-CB 3Å; D386-Y414 WeakPolarHBondContact OD2-CD2 3.44Å; D386-Y414 PolarHBondContact OD2-N 3.04Å; R396-Y414 VanDerWaalsContact CD-OH 3.26Å; R396-Y414 WeakPolarHBondContact CD-OH 3.25Å; R396-Y414 HydrophobicContact CG-CE2 4.46Å; R396-Y414 VanDerWaalsContact NE-CZ 3.32Å; R396-Y414 PolarHBondContact NE-OH 2.89Å; Y414-G416 PolarHBondContact O-N 3.21Å; Y414-G416 VanDerWaalsContact O-N 3.14Å; Y414-C417 HydrophobicContact CD1-CB 4.41Å; Y414-C417 VanDerWaalsContact O-CB 3.25Å; Y414-C417 WeakPolarHBondContact O-CB 3.47Å; Y414-C417 PolarHBondContact O-N 3.33Å
415	L	92.4	Very high	77.3	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	117.9	-178.9	-176.1	63.1	0	0	0	111.8	V212 L226 Y227 M276 R280 F296 M299 F303 C417	V212-L415 HydrophobicContact CG1-CD1 3.88Å; V212-L415 HydrophobicContact CG1-CD2 3.96Å; V212-L415 HydrophobicContact CG2-CD2 4.12Å; L226-L415 HydrophobicContact CD2-CB 4.02Å; Y227-L415 WeakPolarHBondContact O-CD1 3.46Å; M276-L415 HydrophobicContact CG-CD1 3.89Å; M276-L415 HydrophobicContact CG-CG 4Å; M276-L415 HydrophobicContact SD-CG 4.4Å; R280-L415 WeakPolarHBondContact CD-O 3.37Å; R280-L415 PolarHBondContact NH1-O 3.4Å; F296-L415 HydrophobicContact CD1-CB 4Å; F296-L415 HydrophobicContact CD1-CD2 3.88Å; F296-L415 HydrophobicContact CD1-CG 4.06Å; F296-L415 HydrophobicContact CE1-CB 4.11Å; F296-L415 HydrophobicContact CE1-CD2 3.82Å; F296-L415 HydrophobicContact CE1-CG 3.78Å; F296-L415 WeakPolarHBondContact CE1-O 3.45Å; M299-L415 HydrophobicContact CE-CD2 4.07Å; F303-L415 HydrophobicContact CE2-CD2 4.35Å; L415-C417 VanDerWaalsContact C-N 3.25Å; L415-C417 PolarHBondContact O-N 3.35Å
416	G	88.3	Confident	79.4	Confident	4 Å²	4	60.9 Å²	60.9	4%	0.041	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	5.1	-177.6	0	0	0	0	0	115.8	R228 Q277 R280 Y414	R228-G416 PolarHBondContact O-N 3.24Å; Q277-G416 WeakPolarHBondContact CA-O 3.05Å; R280-G416 WeakPolarHBondContact CD-O 3.49Å; Y414-G416 PolarHBondContact O-N 3.21Å; Y414-G416 VanDerWaalsContact O-N 3.14Å
417	C	89.4	Confident	81.5	Confident	33 Å²	33	63.1 Å²	63.1	22%	0.223	32%	0.321	C	S	.	.	S	Bend	trans	-74.3	-179.5	170.4	-70	0	0	0	0	111.4	R280 Y414 L415 N419	R280-C417 PolarHBondContact NH1-SG 3.21Å; Y414-C417 HydrophobicContact CD1-CB 4.41Å; Y414-C417 VanDerWaalsContact O-CB 3.25Å; Y414-C417 WeakPolarHBondContact O-CB 3.47Å; Y414-C417 PolarHBondContact O-N 3.33Å; L415-C417 VanDerWaalsContact C-N 3.25Å; L415-C417 PolarHBondContact O-N 3.35Å; C417-N419 PolarHBondContact O-N 3.32Å
418	L	85.1	Confident	83.6	Confident	128 Å²	128	61 Å²	61	67%	0.67	30%	0.303	S	S	*	.			trans	-58.8	122.8	169.3	-172.6	70.8	0	0	0	110.4	D420	L418-D420 PolarHBondContact O-N 3.41Å
419	N	81	Confident	85.1	Confident	48 Å²	48	59.6 Å²	59.6	26%	0.257	29%	0.288	S	S	.	.			trans	-86.9	104.6	179.1	-165.5	-9.9	0	0	0	110.2	C417 R421	C417-N419 PolarHBondContact O-N 3.32Å; N419-R421 VanDerWaalsContact C-N 3.26Å; N419-R421 PolarHBondContact O-N 2.97Å; N419-R421 VanDerWaalsContact OD1-CB 3.24Å; N419-R421 WeakPolarHBondContact OD1-CB 3.44Å; N419-R421 PolarHBondContact OD1-N 3.32Å; N419-R421 VanDerWaalsContact OD1-N 3.16Å
420	D	84.6	Confident	85.7	Confident	51 Å²	51	59.3 Å²	59.3	27%	0.273	29%	0.286	S	S	.	.			trans	-88.1	17	177.3	66.1	-25.7	0	0	0	113.5	R228 R381 L418 E422 K423 Q424	R228-D420 IonicContact CZ-OD1 3.16Å; R228-D420 IonicContact NH1-OD1 2.74Å; R228-D420 PolarHBondContact NH1-OD1 3.1Å; R228-D420 IonicContact NH2-OD1 3.94Å; R381-D420 IonicContact CZ-OD2 3.11Å; R381-D420 IonicContact NH1-OD1 3.9Å; R381-D420 PolarHBondContact NH1-OD1 3.37Å; R381-D420 IonicContact NH1-OD2 3.02Å; R381-D420 PolarHBondContact NH1-OD2 3.42Å; R381-D420 IonicContact NH2-OD2 3.78Å; L418-D420 PolarHBondContact O-N 3.41Å; D420-E422 PolarHBondContact O-N 3.03Å; D420-E422 VanDerWaalsContact O-N 3.15Å; D420-K423 PolarHBondContact O-N 3.37Å; D420-Q424 PolarHBondContact O-N 3.17Å
421	R	89.4	Confident	84.9	Confident	15 Å²	15	62.4 Å²	62.4	6%	0.057	31%	0.307	C	S	.	.	H	α-helix	trans	-36	-57.8	-178.9	177.5	-174.1	-171.4	-92.6	-4.9	114.4	E363 D364 N419 K423 Q424 L425	E363-R421 IonicContact OE2-CZ 3.43Å; E363-R421 IonicContact OE2-NH1 3.49Å; E363-R421 IonicContact OE2-NH2 2.98Å; E363-R421 PolarHBondContact OE2-NH2 2.9Å; D364-R421 IonicContact OD1-CZ 3.68Å; D364-R421 IonicContact OD1-NE 2.76Å; D364-R421 PolarHBondContact OD1-NE 3.45Å; D364-R421 IonicContact OD1-NH2 3.73Å; D364-R421 PolarHBondContact OD1-NH2 3.42Å; D364-R421 IonicContact OD2-CZ 3.79Å; D364-R421 IonicContact OD2-NE 3.29Å; D364-R421 PolarHBondContact OD2-NE 3.43Å; D364-R421 IonicContact OD2-NH2 3.57Å; N419-R421 VanDerWaalsContact C-N 3.26Å; N419-R421 PolarHBondContact O-N 2.97Å; N419-R421 VanDerWaalsContact OD1-CB 3.24Å; N419-R421 WeakPolarHBondContact OD1-CB 3.44Å; N419-R421 PolarHBondContact OD1-N 3.32Å; N419-R421 VanDerWaalsContact OD1-N 3.16Å; R421-K423 VanDerWaalsContact C-N 3.31Å; R421-K423 PolarHBondContact O-N 2.91Å; R421-Q424 WeakPolarHBondContact O-CB 3.35Å; R421-Q424 PolarHBondContact O-N 3.31Å; R421-Q424 VanDerWaalsContact O-N 3.11Å; R421-L425 HydrophobicContact CG-CD1 3.76Å; R421-L425 HydrophobicContact CG-CG 4.27Å; R421-L425 VanDerWaalsContact CZ-CD1 3.49Å; R421-L425 WeakPolarHBondContact O-CG 3.45Å; R421-L425 PolarHBondContact O-N 2.93Å
422	E	87.3	Confident	83.1	Confident	91 Å²	91	69.8 Å²	69.8	43%	0.425	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-40.9	-175.1	-67.2	-55.5	131.6	0	0	112.5	D420 R426	D420-E422 PolarHBondContact O-N 3.03Å; D420-E422 VanDerWaalsContact O-N 3.15Å; E422-R426 WeakPolarHBondContact O-CB 3.37Å; E422-R426 WeakPolarHBondContact O-CG 3.35Å; E422-R426 PolarHBondContact O-N 3.05Å; E422-R426 VanDerWaalsContact O-N 3.15Å
423	K	85.9	Confident	80.9	Confident	151 Å²	151	75.1 Å²	75.1	66%	0.657	37%	0.368	S	S	*	.	H	α-helix	trans	-68.6	-41.5	176.9	-64.6	-178.6	-178.8	179.8	0	110.3	D420 R421 H427	D420-K423 PolarHBondContact O-N 3.37Å; R421-K423 VanDerWaalsContact C-N 3.31Å; R421-K423 PolarHBondContact O-N 2.91Å; K423-H427 PolarHBondContact O-CD2 2.59Å; K423-H427 PolarHBondContact O-N 3.26Å
424	Q	88.1	Confident	78.5	Confident	22 Å²	22	83.9 Å²	83.9	10%	0.103	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-50.7	179.6	-169.7	-75.3	-15.8	0	0	111.3	R381 D420 R421 R426 H427 L428	R381-Q424 VanDerWaalsContact C-NE2 3.34Å; R381-Q424 PolarHBondContact O-NE2 3.31Å; D420-Q424 PolarHBondContact O-N 3.17Å; R421-Q424 WeakPolarHBondContact O-CB 3.35Å; R421-Q424 PolarHBondContact O-N 3.31Å; R421-Q424 VanDerWaalsContact O-N 3.11Å; Q424-R426 VanDerWaalsContact C-N 3.34Å; Q424-R426 PolarHBondContact O-N 3.04Å; Q424-H427 WeakPolarHBondContact O-CB 3.38Å; Q424-H427 PolarHBondContact O-N 2.62Å; Q424-H427 VanDerWaalsContact O-N 3.1Å; Q424-L428 WeakPolarHBondContact O-CB 3.39Å; Q424-L428 PolarHBondContact O-N 3.27Å
425	L	86.9	Confident	75.8	Confident	18 Å²	18	90.5 Å²	90.5	9%	0.094	44%	0.437	C	S	.	.	H	α-helix	trans	-64.6	-40.3	-178.6	-69.6	175.3	0	0	0	111.2	R421 H427 L428 F429	R421-L425 HydrophobicContact CG-CD1 3.76Å; R421-L425 HydrophobicContact CG-CG 4.27Å; R421-L425 VanDerWaalsContact CZ-CD1 3.49Å; R421-L425 WeakPolarHBondContact O-CG 3.45Å; R421-L425 PolarHBondContact O-N 2.93Å; L425-H427 VanDerWaalsContact C-N 3.28Å; L425-H427 PolarHBondContact O-N 3.47Å; L425-L428 PolarHBondContact O-N 3.41Å; L425-F429 HydrophobicContact CB-CD2 4.46Å; L425-F429 HydrophobicContact CD2-CD2 4.36Å; L425-F429 HydrophobicContact CD2-CE2 3.77Å; L425-F429 PolarHBondContact O-N 3.07Å
426	R	86.9	Confident	73	Confident	168 Å²	168	99.1 Å²	99.1	63%	0.634	48%	0.475	S	S	*	.	H	α-helix	trans	-60.6	-37.8	173.8	-75.2	176.2	-160.2	-177.6	4.5	112.4	E422 Q424 K430	E422-R426 WeakPolarHBondContact O-CB 3.37Å; E422-R426 WeakPolarHBondContact O-CG 3.35Å; E422-R426 PolarHBondContact O-N 3.05Å; E422-R426 VanDerWaalsContact O-N 3.15Å; Q424-R426 VanDerWaalsContact C-N 3.34Å; Q424-R426 PolarHBondContact O-N 3.04Å; R426-K430 WeakPolarHBondContact O-CG 3.44Å; R426-K430 PolarHBondContact O-N 3.48Å
427	H	84.5	Confident	70.7	Confident	132 Å²	132	110.9 Å²	110.9	61%	0.611	52%	0.518	S	S	*	.	H	α-helix	trans	-71.6	-40	177.1	-83.4	-129.2	0	0	0	111.9	K423 Q424 L425	K423-H427 PolarHBondContact O-CD2 2.59Å; K423-H427 PolarHBondContact O-N 3.26Å; Q424-H427 WeakPolarHBondContact O-CB 3.38Å; Q424-H427 PolarHBondContact O-N 2.62Å; Q424-H427 VanDerWaalsContact O-N 3.1Å; L425-H427 VanDerWaalsContact C-N 3.28Å; L425-H427 PolarHBondContact O-N 3.47Å
428	L	84.1	Confident	68.3	Low	42 Å²	42	119 Å²	119	22%	0.22	57%	0.567	C	S	.	*	H	α-helix	trans	-73.2	-38	-175.5	-163.6	150	0	0	0	111.9	L375 E379 V382 Q424 L425	L375-L428 HydrophobicContact CD2-CD1 4.21Å; L375-L428 HydrophobicContact CD2-CD2 3.52Å; L375-L428 HydrophobicContact CD2-CG 4.43Å; E379-L428 HydrophobicContact CG-CD1 3.98Å; V382-L428 HydrophobicContact CG2-CD1 4.33Å; Q424-L428 WeakPolarHBondContact O-CB 3.39Å; Q424-L428 PolarHBondContact O-N 3.27Å; L425-L428 PolarHBondContact O-N 3.41Å
429	F	82.4	Confident	67.4	Low	55 Å²	55	118.5 Å²	118.5	24%	0.241	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-103.7	24.7	179.9	-56	-47.3	0	0	0	113.5	N367 R374 L425	N367-F429 HydrophobicContact CB-CZ 4.23Å; R374-F429 HydrophobicContact CB-CD1 4.06Å; R374-F429 HydrophobicContact CB-CE1 3.64Å; R374-F429 HydrophobicContact CG-CE1 4.31Å; R374-F429 VanDerWaalsContact CZ-CE1 3.4Å; R374-F429 VanDerWaalsContact NH1-CD1 3.34Å; R374-F429 VanDerWaalsContact NH1-CD2 3.26Å; R374-F429 VanDerWaalsContact NH1-CE1 3.28Å; L425-F429 HydrophobicContact CB-CD2 4.46Å; L425-F429 HydrophobicContact CD2-CD2 4.36Å; L425-F429 HydrophobicContact CD2-CE2 3.77Å; L425-F429 PolarHBondContact O-N 3.07Å
430	K	75.5	Confident	66.7	Low	126 Å²	126	122.2 Å²	122.2	55%	0.548	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-58.4	129.1	170.5	-72.9	-164.3	178.4	172.2	0	108.3	R426 F432	R426-K430 WeakPolarHBondContact O-CG 3.44Å; R426-K430 PolarHBondContact O-N 3.48Å; K430-F432 PolarHBondContact O-N 3.48Å; K430-F432 VanDerWaalsContact O-N 3.14Å
431	P	57.9	Low	65.7	Low	119 Å²	119	126.2 Å²	126.2	77%	0.773	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-58.4	124.2	168.2	23.1	-29.8	0	0	0	107.5
432	F	45.6	Very low	64.3	Low	191 Å²	191	132.7 Å²	132.7	84%	0.838	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-52.8	130.5	171.2	-87.3	-88.9	0	0	0	107.7	K430 F434	K430-F432 PolarHBondContact O-N 3.48Å; K430-F432 VanDerWaalsContact O-N 3.14Å; F432-F434 PolarHBondContact O-N 3.39Å
433	P	42.2	Very low	62.9	Low	118 Å²	118	135.3 Å²	135.3	77%	0.766	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-58.7	120	170.4	6.6	-2.4	0	0	0	106.6	Q435	P433-Q435 PolarHBondContact O-N 3.43Å
434	F	38.9	Very low	61.3	Low	199 Å²	199	134.3 Å²	134.3	87%	0.873	64%	0.638	S	S	*	*			trans	-37.2	111.3	173.7	-87.6	-98.7	0	0	0	109.5	F432 K436	F432-F434 PolarHBondContact O-N 3.39Å; F434-K436 PolarHBondContact O-N 3.46Å
435	Q	36.1	Very low	59.4	Low	187 Å²	187	142.3 Å²	142.3	87%	0.874	68%	0.676	S	S	*	*			trans	-61.5	98.1	153.1	-85	-179.8	-20.1	0	0	104.7	P433 R437	P433-Q435 PolarHBondContact O-N 3.43Å; Q435-R437 VanDerWaalsContact C-N 3.34Å; Q435-R437 PolarHBondContact O-N 3.49Å
436	K	33.4	Very low	57.3	Low	183 Å²	183	151.8 Å²	151.8	80%	0.796	72%	0.72	S	S	*	*			trans	-51.7	107.9	162.2	-82.1	-177.8	173.5	-178.8	0	105.5	F434 T438	F434-K436 PolarHBondContact O-N 3.46Å; K436-T438 VanDerWaalsContact C-N 3.26Å; K436-T438 PolarHBondContact O-N 2.66Å
437	R	39.5	Very low	54.8	Low	251 Å²	251	150.5 Å²	150.5	95%	0.947	73%	0.728	S	S	*	*			trans	-61.1	99.2	160.7	-74.8	-178.2	173.7	176.6	-1.3	105.3	Q435	Q435-R437 VanDerWaalsContact C-N 3.34Å; Q435-R437 PolarHBondContact O-N 3.49Å
438	T	38	Very low	52.1	Low	203 Å²	203	152.2 Å²	152.2	100%	1.245	74%	0.738	S	S	*	*			trans	-78.9	0	160.9	44.3	0	0	0	0	109.3	K436	K436-T438 VanDerWaalsContact C-N 3.26Å; K436-T438 PolarHBondContact O-N 2.66Å

Retrieved 438 of 438 residues in 330.4 ms (Link to these results)

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