A0A077ZEU3_TRITR Loading...

BPL LplA LipB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEU3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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	43	Very low	41.8	Very low	243 Å²	243	151.8 Å²	151.8	100%	1.197	86%	0.858	S	S	*	*				0	134.8	0	-79.4	-179.1	-178.2	0	0	108.8
2	K	41.3	Very low	41.8	Very low	213 Å²	213	148.8 Å²	148.8	93%	0.926	85%	0.846	S	S	*	*			trans	72.4	106.2	173.8	-67.2	-174.4	176.9	-179.2	0	118.1
3	A	36.5	Very low	42	Very low	98 Å²	98	150.3 Å²	150.3	81%	0.81	85%	0.85	S	S	*	*			trans	-77.3	150.3	166.7	0	0	0	0	0	111.5
4	V	48.5	Very low	41.9	Very low	148 Å²	148	153.8 Å²	153.8	90%	0.897	85%	0.851	S	S	*	*			trans	-135	118.1	156.9	-179.7	0	0	0	0	107.2
5	S	40.8	Very low	41.7	Very low	105 Å²	105	149 Å²	149	73%	0.734	84%	0.839	S	S	*	*			trans	-80.5	139.8	178.1	48.5	0	0	0	0	110.9
6	S	45.2	Very low	41.8	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	84%	0.838	S	S	*	*			trans	-130.9	103.2	159.4	87	0	0	0	0	108.8
7	T	40.6	Very low	41.6	Very low	139 Å²	139	150.4 Å²	150.4	85%	0.853	84%	0.839	S	S	*	*			trans	-86	106	175.3	-40.3	0	0	0	0	107.8
8	R	45.6	Very low	41.6	Very low	237 Å²	237	147.1 Å²	147.1	89%	0.894	83%	0.828	S	S	*	*			trans	-91.4	115.6	168.7	-91.7	-174.7	-179.7	-168.1	0.4	109.9
9	A	42.8	Very low	41.7	Very low	85 Å²	85	147.8 Å²	147.8	70%	0.702	82%	0.823	S	S	*	*			trans	8.2	110.4	154.6	0	0	0	0	0	117.9	M11	A9-M11 PolarHBondContact O-N 3.23Å
10	C	33.5	Very low	41.8	Very low	119 Å²	119	146.8 Å²	146.8	80%	0.804	82%	0.82	S	S	*	*			trans	-67.4	101.4	154.7	-179.4	0	0	0	0	108.7
11	M	41.7	Very low	41.8	Very low	173 Å²	173	146.9 Å²	146.9	85%	0.852	82%	0.819	S	S	*	*			trans	-83.4	108.9	163.4	-81.7	-166.6	-82.1	0	0	108.2	A9 N13	A9-M11 PolarHBondContact O-N 3.23Å; M11-N13 PolarHBondContact O-N 2.93Å
12	T	42.4	Very low	41.7	Very low	116 Å²	116	139.3 Å²	139.3	71%	0.712	80%	0.795	S	S	*	*			trans	-70	109.4	174.9	1.2	0	0	0	0	108.5	K14	T12-K14 VanDerWaalsContact C-N 3.34Å; T12-K14 PolarHBondContact O-N 3.29Å
13	N	44.1	Very low	41.6	Very low	168 Å²	168	138.3 Å²	138.3	90%	0.898	79%	0.791	S	S	*	*			trans	-65.3	94	167.1	-96.7	-12.1	0	0	0	109	M11	M11-N13 PolarHBondContact O-N 2.93Å
14	K	40.2	Very low	41.8	Very low	199 Å²	199	142 Å²	142	87%	0.865	79%	0.791	S	S	*	*			trans	-123.8	63.8	178.4	-136.1	-173.8	-169	-174	0	109.5	T12	T12-K14 VanDerWaalsContact C-N 3.34Å; T12-K14 PolarHBondContact O-N 3.29Å
15	A	39.3	Very low	42	Very low	82 Å²	82	142 Å²	142	68%	0.678	78%	0.784	S	S	*	*			trans	-170.8	109.8	167	0	0	0	0	0	104.3
16	I	42.9	Very low	42.8	Very low	159 Å²	159	143 Å²	143	82%	0.815	79%	0.785	S	S	*	*				-161.1	103.3	84.5	-75.4	141.3	0	0	0	105.3	S18	I16-S18 PolarHBondContact O-N 3.17Å
17	L	39	Very low	44.1	Very low	162 Å²	162	145 Å²	145	85%	0.848	79%	0.785	S	S	*	*			trans	-85.2	91.8	160.1	-107.9	118	0	0	0	105.9	H19	L17-H19 PolarHBondContact O-N 2.93Å
18	S	40.8	Very low	46.3	Very low	92 Å²	92	140 Å²	140	64%	0.643	76%	0.755	S	S	*	*			trans	-61.2	101.9	166.3	50.3	0	0	0	0	108.4	I16 V20	I16-S18 PolarHBondContact O-N 3.17Å; S18-V20 VanDerWaalsContact C-N 3.28Å; S18-V20 PolarHBondContact O-N 2.99Å
19	H	43.9	Very low	48.7	Very low	160 Å²	160	130.9 Å²	130.9	74%	0.741	73%	0.726	S	S	*	*			trans	-62.9	91.8	162.7	-91	59.7	0	0	0	108.2	L17 L21	L17-H19 PolarHBondContact O-N 2.93Å; H19-L21 VanDerWaalsContact C-N 3.27Å; H19-L21 PolarHBondContact O-N 3.39Å
20	V	44.1	Very low	51.4	Low	127 Å²	127	127 Å²	127	77%	0.77	69%	0.694	S	S	*	*			trans	-76.1	92.1	155.5	179	0	0	0	0	105.2	S18 A22	S18-V20 VanDerWaalsContact C-N 3.28Å; S18-V20 PolarHBondContact O-N 2.99Å; V20-A22 VanDerWaalsContact C-N 3.28Å; V20-A22 PolarHBondContact O-N 2.86Å
21	L	41.4	Very low	54.4	Low	150 Å²	150	124.1 Å²	124.1	79%	0.785	67%	0.666	S	S	*	*			trans	-62.8	96.6	162.8	-81	159.6	0	0	0	106.6	H19 K23	H19-L21 VanDerWaalsContact C-N 3.27Å; H19-L21 PolarHBondContact O-N 3.39Å; L21-K23 PolarHBondContact O-N 2.95Å
22	A	41.7	Very low	57.2	Low	84 Å²	84	116.2 Å²	116.2	69%	0.694	63%	0.627	S	S	*	*			trans	-57.8	107	158	0	0	0	0	0	106	V20 E24	V20-A22 VanDerWaalsContact C-N 3.28Å; V20-A22 PolarHBondContact O-N 2.86Å; A22-E24 VanDerWaalsContact C-N 3.27Å; A22-E24 PolarHBondContact O-N 3.42Å
23	K	39	Very low	59.8	Low	192 Å²	192	110.7 Å²	110.7	84%	0.835	59%	0.593	S	S	*	*			trans	-57.4	101.7	159.1	-93.9	-179.6	169.8	-177.1	0	105.2	L21 I25	L21-K23 PolarHBondContact O-N 2.95Å; K23-I25 VanDerWaalsContact C-N 3.27Å; K23-I25 PolarHBondContact O-N 3.26Å
24	E	39.6	Very low	62.4	Low	176 Å²	176	104.4 Å²	104.4	82%	0.822	56%	0.559	S	S	*	*			trans	-55	104.8	154.4	-85	-179.8	151.6	0	0	105.3	A22 V26	A22-E24 VanDerWaalsContact C-N 3.27Å; A22-E24 PolarHBondContact O-N 3.42Å; E24-V26 PolarHBondContact O-N 2.88Å
25	I	53.3	Low	65.2	Low	146 Å²	146	95.1 Å²	95.1	75%	0.749	52%	0.519	S	S	*	.			trans	-66.6	92.2	167.5	-64.3	169.2	0	0	0	103.8	K23 M27	K23-I25 VanDerWaalsContact C-N 3.27Å; K23-I25 PolarHBondContact O-N 3.26Å; I25-M27 VanDerWaalsContact C-N 3.31Å; I25-M27 PolarHBondContact O-N 3.27Å
26	V	58.3	Low	68	Low	126 Å²	126	95.3 Å²	95.3	76%	0.764	51%	0.509	S	S	*	.			trans	-60.2	103.2	167.6	-179.1	0	0	0	0	104.8	E24 S28	E24-V26 PolarHBondContact O-N 2.88Å; V26-S28 PolarHBondContact O-N 3.37Å
27	M	71.1	Confident	70.6	Confident	153 Å²	153	88 Å²	88	75%	0.754	47%	0.472	S	S	*	.			trans	-60.1	125.2	175.7	-69.5	-165	-64.4	0	0	107.3	I25	I25-M27 VanDerWaalsContact C-N 3.31Å; I25-M27 PolarHBondContact O-N 3.27Å
28	S	88.2	Confident	73.4	Confident	33 Å²	33	85.6 Å²	85.6	23%	0.231	45%	0.452	C	S	.	.			trans	-49.9	142.9	176.5	156.2	0	0	0	0	110.4	V26 L30 E240 V242	V26-S28 PolarHBondContact O-N 3.37Å; S28-L30 PolarHBondContact O-N 3.11Å; S28-L30 WeakPolarHBondContact OG-CA 3.38Å; S28-L30 PolarHBondContact OG-N 3.34Å; S28-L30 PolarHBondContact OG-O 3.18Å; S28-E240 VanDerWaalsContact CA-OE1 3.25Å; S28-E240 WeakPolarHBondContact CA-OE1 3.46Å; S28-E240 WeakPolarHBondContact CB-OE1 3.27Å; S28-E240 VanDerWaalsContact OG-CD 3.27Å; S28-E240 PolarHBondContact OG-OE1 3.37Å; S28-V242 WeakPolarHBondContact OG-CG1 3.24Å
29	T	95.8	Very high	76.1	Confident	47 Å²	47	83 Å²	83	29%	0.288	43%	0.431	S	S	.	.	S	Bend	trans	-76.5	-14.5	174.9	73.9	0	0	0	0	112.1	Q58 R59 E240	T29-Q58 CarbonylContact O-C 3.51Å; T29-Q58 VanDerWaalsContact O-CA 3.24Å; T29-Q58 WeakPolarHBondContact O-CA 3.42Å; T29-R59 PolarHBondContact O-N 2.89Å; T29-R59 PolarHBondContact OG1-NH1 3.25Å; T29-E240 PolarHBondContact N-OE1 2.99Å; T29-E240 PolarHBondContact N-OE2 3.45Å; T29-E240 VanDerWaalsContact N-OE2 3.14Å; T29-E240 PolarHBondContact OG1-OE2 3.36Å
30	L	98.2	Very high	78.7	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.021	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	149	173.1	-53	-170.4	0	0	0	111.9	S28 R59 F234 F235 Y238 E240 V242	S28-L30 PolarHBondContact O-N 3.11Å; S28-L30 WeakPolarHBondContact OG-CA 3.38Å; S28-L30 PolarHBondContact OG-N 3.34Å; S28-L30 PolarHBondContact OG-O 3.18Å; L30-R59 CarbonylContact C-O 3.54Å; L30-R59 WeakPolarHBondContact CA-O 3.46Å; L30-R59 HydrophobicContact CD2-CB 3.89Å; L30-F234 HydrophobicContact CB-CE1 4.08Å; L30-F234 HydrophobicContact CB-CZ 4.24Å; L30-F234 HydrophobicContact CD1-CD1 4.43Å; L30-F234 HydrophobicContact CD1-CE1 3.87Å; L30-F234 HydrophobicContact CD1-CZ 4.23Å; L30-F234 HydrophobicContact CD2-CE1 4.27Å; L30-F234 HydrophobicContact CD2-CE2 4.46Å; L30-F234 HydrophobicContact CD2-CZ 3.8Å; L30-F234 HydrophobicContact CG-CE1 4.3Å; L30-F234 HydrophobicContact CG-CZ 4.31Å; L30-F235 HydrophobicContact CD1-CD1 4Å; L30-F235 HydrophobicContact CD1-CE1 4.46Å; L30-Y238 HydrophobicContact CD2-CD1 4.33Å; L30-Y238 HydrophobicContact CD2-CD2 3.89Å; L30-Y238 HydrophobicContact CD2-CG 3.73Å; L30-E240 HydrophobicContact CD1-CB 3.75Å; L30-E240 HydrophobicContact CD1-CG 4.14Å; L30-E240 VanDerWaalsContact CD1-O 3.3Å; L30-E240 WeakPolarHBondContact CD1-O 3.47Å; L30-E240 HydrophobicContact CG-CB 4.03Å; L30-E240 HydrophobicContact CG-CG 4.1Å; L30-V242 HydrophobicContact CB-CG1 4.37Å; L30-V242 HydrophobicContact CB-CG2 4.23Å
31	R	98.2	Very high	81.1	Confident	57 Å²	57	70.7 Å²	70.7	22%	0.215	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.6	167.7	-163.5	-179.9	-176.8	-168.8	-4.5	109.6	L33 Q58 R59 V60 L61 E245	R31-L33 HydrophobicContact CG-CD2 4.46Å; R31-L33 HydrophobicContact CG-CG 4.27Å; R31-Q58 HydrophobicContact CB-CG 4.24Å; R31-R59 PolarHBondContact N-O 3.26Å; R31-V60 HydrophobicContact CB-CG1 4.42Å; R31-V60 HydrophobicContact CB-CG2 4.17Å; R31-V60 WeakPolarHBondContact O-CA 3.4Å; R31-L61 PolarHBondContact O-N 3.23Å; R31-E245 WeakPolarHBondContact CG-OE1 3.48Å; R31-E245 IonicContact CZ-OE1 3.59Å; R31-E245 IonicContact CZ-OE2 2.81Å; R31-E245 IonicContact NE-OE1 2.74Å; R31-E245 PolarHBondContact NE-OE1 3.08Å; R31-E245 IonicContact NE-OE2 3.07Å; R31-E245 PolarHBondContact NE-OE2 2.94Å; R31-E245 IonicContact NH2-OE1 3.57Å; R31-E245 IonicContact NH2-OE2 3.35Å; R31-E245 PolarHBondContact NH2-OE2 3.36Å
32	L	98.7	Very high	83.8	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.037	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.8	177.4	175.4	61.2	0	0	0	109	L61 L63 T231 F235 V242 A244 E245	L32-L61 HydrophobicContact CD1-CB 4.14Å; L32-L61 HydrophobicContact CD1-CD2 3.82Å; L32-L61 HydrophobicContact CD1-CG 3.9Å; L32-L63 HydrophobicContact CD1-CD1 4.33Å; L32-T231 HydrophobicContact CD1-CG2 4.44Å; L32-T231 HydrophobicContact CD2-CG2 3.59Å; L32-F235 HydrophobicContact CD2-CE2 4.49Å; L32-F235 HydrophobicContact CD2-CZ 3.81Å; L32-V242 HydrophobicContact CB-CG2 3.89Å; L32-A244 HydrophobicContact CD2-CB 3.68Å; L32-A244 HydrophobicContact CG-CB 3.92Å; L32-E245 PolarHBondContact O-N 3.44Å
33	L	98.5	Very high	86.5	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.6	-178.5	-63.4	162.6	0	0	0	109.4	R31 I50 V60 L61 F62 L63 E245 I247	R31-L33 HydrophobicContact CG-CD2 4.46Å; R31-L33 HydrophobicContact CG-CG 4.27Å; L33-I50 HydrophobicContact CD1-CB 4.46Å; L33-I50 HydrophobicContact CD1-CD1 3.75Å; L33-I50 HydrophobicContact CD1-CG1 3.87Å; L33-I50 HydrophobicContact CD1-CG2 3.81Å; L33-V60 HydrophobicContact CD1-CG1 3.69Å; L33-V60 HydrophobicContact CG-CG1 4.46Å; L33-L61 PolarHBondContact N-O 3.38Å; L33-F62 HydrophobicContact CB-CB 4.33Å; L33-F62 HydrophobicContact CB-CD2 3.68Å; L33-F62 HydrophobicContact CB-CE2 4.48Å; L33-F62 HydrophobicContact CB-CG 4.42Å; L33-F62 WeakPolarHBondContact O-CA 3.45Å; L33-L63 PolarHBondContact O-N 2.97Å; L33-E245 WeakPolarHBondContact CA-O 3.5Å; L33-E245 HydrophobicContact CD2-CB 3.61Å; L33-E245 HydrophobicContact CD2-CG 4.38Å; L33-I247 HydrophobicContact CB-CD1 4.27Å; L33-I247 HydrophobicContact CD2-CD1 3.97Å; L33-I247 HydrophobicContact CD2-CG1 4.38Å
34	I	98.6	Very high	89.3	Confident	35 Å²	35	51.4 Å²	51.4	18%	0.179	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.8	175.1	-55	177.9	0	0	0	107.9	L63 A244 E245 I246 I247	I34-L63 WeakPolarHBondContact CA-O 3.35Å; I34-A244 HydrophobicContact CD1-CB 3.88Å; I34-A244 HydrophobicContact CG1-CB 4.36Å; I34-E245 PolarHBondContact N-O 3.01Å; I34-I246 HydrophobicContact CB-CD1 3.84Å; I34-I246 HydrophobicContact CD1-CD1 4.13Å; I34-I246 HydrophobicContact CG1-CD1 4.37Å; I34-I246 HydrophobicContact CG2-CD1 4.4Å; I34-I246 WeakPolarHBondContact O-CA 3.36Å; I34-I247 PolarHBondContact O-N 3.31Å
35	S	98.5	Very high	92	Very high	5 Å²	5	43 Å²	43	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.5	173.3	-174.1	0	0	0	0	111.1	S37 N43 L63	S35-S37 VanDerWaalsContact C-N 3.29Å; S35-S37 WeakPolarHBondContact OG-CB 3.27Å; S35-S37 PolarHBondContact OG-N 3.4Å; S35-S37 VanDerWaalsContact OG-N 3.11Å; S35-N43 WeakPolarHBondContact CB-OD1 3.38Å; S35-N43 PolarHBondContact OG-OD1 3.06Å; S35-L63 PolarHBondContact N-O 2.87Å
36	D	97.7	Very high	94.1	Very high	85 Å²	85	36.1 Å²	36.1	46%	0.455	18%	0.184	S	C	.	.			trans	-87.4	-3.2	168.9	-73.7	-9.8	0	0	0	112	I246 I247	D36-I246 WeakPolarHBondContact OD2-CG2 3.45Å; D36-I247 PolarHBondContact N-O 3.05Å
37	S	98.2	Very high	96	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	15%	0.148	C	C	.	.			trans	-81.8	137.4	176.1	-173.6	0	0	0	0	111.5	S35 D39 F42 N43 R65	S35-S37 VanDerWaalsContact C-N 3.29Å; S35-S37 WeakPolarHBondContact OG-CB 3.27Å; S35-S37 PolarHBondContact OG-N 3.4Å; S35-S37 VanDerWaalsContact OG-N 3.11Å; S37-D39 WeakPolarHBondContact OG-CB 3.39Å; S37-D39 PolarHBondContact OG-N 3.4Å; S37-F42 WeakPolarHBondContact OG-CD1 3.43Å; S37-N43 PolarHBondContact O-ND2 3.35Å; S37-N43 PolarHBondContact O-OD1 2.85Å; S37-R65 VanDerWaalsContact O-O 3.12Å
38	Y	98.5	Very high	97.3	Very high	112 Å²	112	23.9 Å²	23.9	44%	0.439	12%	0.117	S	C	.	.			trans	-100.3	8.9	170.3	-52.4	-48.1	0	0	0	113.1	R65 N66 A67 L108	Y38-R65 WeakPolarHBondContact CA-O 3.26Å; Y38-R65 HydrophobicContact CD1-CB 4.39Å; Y38-N66 WeakPolarHBondContact O-CA 3.25Å; Y38-A67 PolarHBondContact O-N 2.93Å; Y38-L108 HydrophobicContact CD1-CD2 3.56Å; Y38-L108 HydrophobicContact CD2-CD2 4.17Å; Y38-L108 HydrophobicContact CE1-CD2 3.87Å; Y38-L108 HydrophobicContact CE2-CD2 4.45Å; Y38-L108 HydrophobicContact CG-CD2 3.73Å
39	D	97.5	Very high	97.7	Very high	37 Å²	37	22.3 Å²	22.3	20%	0.198	11%	0.106	C	C	.	.			trans	-83.3	118.8	176.8	-176.8	-23.3	0	0	0	110.4	S37 W41 F42 N43 R93	S37-D39 WeakPolarHBondContact OG-CB 3.39Å; S37-D39 PolarHBondContact OG-N 3.4Å; D39-W41 VanDerWaalsContact C-N 3.32Å; D39-W41 PolarHBondContact O-N 3.45Å; D39-W41 PolarHBondContact OD1-N 2.69Å; D39-F42 HydrophobicContact CB-CB 3.68Å; D39-F42 WeakPolarHBondContact O-CB 3.45Å; D39-F42 PolarHBondContact O-N 2.84Å; D39-F42 PolarHBondContact OD1-N 3.33Å; D39-N43 PolarHBondContact O-N 3.44Å; D39-N43 PolarHBondContact O-ND2 2.72Å; D39-R93 IonicContact OD1-NH1 3.42Å; D39-R93 PolarHBondContact OD1-NH1 3.35Å; D39-R93 IonicContact OD2-CZ 3.23Å; D39-R93 IonicContact OD2-NH1 2.78Å; D39-R93 PolarHBondContact OD2-NH1 2.99Å
40	P	97.3	Very high	97.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-31.1	179.3	32.3	-41.3	0	0	0	114.4	L44 N66 T69 R93 A95	P40-L44 VanDerWaalsContact O-CB 3.28Å; P40-L44 WeakPolarHBondContact O-CB 3.43Å; P40-L44 WeakPolarHBondContact O-CD1 3.44Å; P40-L44 WeakPolarHBondContact O-CG 3.32Å; P40-L44 PolarHBondContact O-N 3.46Å; P40-N66 WeakPolarHBondContact CA-OD1 3.41Å; P40-N66 HydrophobicContact CB-CB 4.18Å; P40-T69 HydrophobicContact CB-CG2 3.67Å; P40-T69 HydrophobicContact CG-CG2 3.74Å; P40-T69 VanDerWaalsContact CG-OG1 3.3Å; P40-T69 WeakPolarHBondContact CG-OG1 3.49Å; P40-R93 HydrophobicContact CG-CB 4.13Å; P40-A95 HydrophobicContact CB-CB 3.86Å; P40-A95 HydrophobicContact CG-CB 4.27Å
41	W	95.7	Very high	97.7	Very high	28 Å²	28	20.1 Å²	20.1	11%	0.106	9%	0.093	C	C	.	.	H	α-helix	trans	-73.1	-41.9	177.6	-54.7	-37.4	0	0	0	110.3	D39 N43 L44 A45 R93 L94 M262 L265 E266 E269	D39-W41 VanDerWaalsContact C-N 3.32Å; D39-W41 PolarHBondContact O-N 3.45Å; D39-W41 PolarHBondContact OD1-N 2.69Å; W41-N43 PolarHBondContact O-N 2.84Å; W41-L44 PolarHBondContact O-N 2.9Å; W41-A45 VanDerWaalsContact O-CB 3.24Å; W41-A45 WeakPolarHBondContact O-CB 3.46Å; W41-A45 PolarHBondContact O-N 2.99Å; W41-R93 HydrophobicContact CZ2-CB 4.41Å; W41-R93 HydrophobicContact CZ2-CG 4.4Å; W41-L94 PolarHBondContact NE1-O 3Å; W41-M262 HydrophobicContact CB-CE 4.26Å; W41-M262 HydrophobicContact CB-SD 4.29Å; W41-M262 VanDerWaalsContact O-SD 3.4Å; W41-L265 HydrophobicContact CB-CB 4.1Å; W41-L265 HydrophobicContact CB-CD1 4.46Å; W41-L265 HydrophobicContact CG-CB 4.21Å; W41-L265 WeakPolarHBondContact O-CD1 3.33Å; W41-E266 HydrophobicContact CD2-CG 4.06Å; W41-E266 HydrophobicContact CE3-CG 3.55Å; W41-E266 HydrophobicContact CZ3-CG 3.96Å; W41-E269 WeakPolarHBondContact CH2-OE2 3.3Å; W41-E269 HydrophobicContact CZ2-CB 4.15Å; W41-E269 HydrophobicContact CZ2-CG 4.26Å; W41-E269 WeakPolarHBondContact CZ2-OE1 3.26Å; W41-E269 WeakPolarHBondContact CZ2-OE2 3.2Å
42	F	96.9	Very high	97.6	Very high	14 Å²	14	24.4 Å²	24.4	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-54.3	-54.7	171.9	-174.3	-84.4	0	0	0	111	S37 D39 L44 A45 V46 I247 P249 P253 F258 M262	S37-F42 WeakPolarHBondContact OG-CD1 3.43Å; D39-F42 HydrophobicContact CB-CB 3.68Å; D39-F42 WeakPolarHBondContact O-CB 3.45Å; D39-F42 PolarHBondContact O-N 2.84Å; D39-F42 PolarHBondContact OD1-N 3.33Å; F42-L44 PolarHBondContact O-N 2.91Å; F42-A45 PolarHBondContact O-N 2.96Å; F42-V46 HydrophobicContact CD1-CG2 3.95Å; F42-V46 HydrophobicContact CE1-CG2 3.68Å; F42-V46 HydrophobicContact CZ-CG2 4.2Å; F42-V46 WeakPolarHBondContact O-CG2 3.38Å; F42-V46 PolarHBondContact O-N 3.25Å; F42-I247 HydrophobicContact CE1-CG2 3.83Å; F42-I247 HydrophobicContact CZ-CG2 3.89Å; F42-P249 HydrophobicContact CE2-CB 4.44Å; F42-P253 HydrophobicContact CE2-CG 3.99Å; F42-P253 HydrophobicContact CZ-CG 3.62Å; F42-F258 HydrophobicContact CD2-CE1 4.35Å; F42-F258 AromaticContact CD2-CZ 3.59Å; F42-F258 HydrophobicContact CD2-CZ 3.59Å; F42-F258 HydrophobicContact CE2-CE1 4.23Å; F42-F258 AromaticContact CE2-CZ 3.65Å; F42-F258 HydrophobicContact CE2-CZ 3.65Å; F42-F258 HydrophobicContact CG-CZ 4.23Å; F42-F258 HydrophobicContact CZ-CZ 4.34Å; F42-M262 WeakPolarHBondContact CA-SD 3.17Å; F42-M262 HydrophobicContact CB-CE 4.3Å; F42-M262 HydrophobicContact CB-SD 4.27Å; F42-M262 PolarHBondContact N-SD 2.99Å; F42-M262 VanDerWaalsContact N-SD 3.43Å
43	N	98.2	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-38.2	-175.7	-70.1	-32.6	0	0	0	112.9	S35 S37 D39 W41 E47 W64 R65 N66	S35-N43 WeakPolarHBondContact CB-OD1 3.38Å; S35-N43 PolarHBondContact OG-OD1 3.06Å; S37-N43 PolarHBondContact O-ND2 3.35Å; S37-N43 PolarHBondContact O-OD1 2.85Å; D39-N43 PolarHBondContact O-N 3.44Å; D39-N43 PolarHBondContact O-ND2 2.72Å; W41-N43 PolarHBondContact O-N 2.84Å; N43-E47 WeakPolarHBondContact O-CB 3.28Å; N43-E47 PolarHBondContact O-N 3.14Å; N43-W64 HydrophobicContact CB-CD2 3.97Å; N43-W64 HydrophobicContact CB-CE3 3.24Å; N43-W64 HydrophobicContact CB-CH2 4.48Å; N43-W64 HydrophobicContact CB-CZ3 3.52Å; N43-R65 PolarHBondContact ND2-O 3.33Å; N43-N66 PolarHBondContact ND2-OD1 2.72Å
44	L	98	Very high	97.1	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-70.6	-34.8	175.4	-73.1	171.8	0	0	0	112.6	P40 W41 F42 E47 E48 W64 A95 R97 L265	P40-L44 VanDerWaalsContact O-CB 3.28Å; P40-L44 WeakPolarHBondContact O-CB 3.43Å; P40-L44 WeakPolarHBondContact O-CD1 3.44Å; P40-L44 WeakPolarHBondContact O-CG 3.32Å; P40-L44 PolarHBondContact O-N 3.46Å; W41-L44 PolarHBondContact O-N 2.9Å; F42-L44 PolarHBondContact O-N 2.91Å; L44-E47 PolarHBondContact O-N 3.48Å; L44-E48 WeakPolarHBondContact O-CB 3.46Å; L44-E48 PolarHBondContact O-N 2.98Å; L44-W64 HydrophobicContact CD2-CH2 3.93Å; L44-W64 HydrophobicContact CG-CH2 4.33Å; L44-A95 HydrophobicContact CD1-CB 3.82Å; L44-R97 HydrophobicContact CD1-CB 4.33Å; L44-R97 HydrophobicContact CD2-CB 3.83Å; L44-L265 HydrophobicContact CB-CD1 3.78Å; L44-L265 HydrophobicContact CB-CD2 4.5Å; L44-L265 HydrophobicContact CD1-CD2 4.48Å
45	A	96.9	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-43.8	174	0	0	0	0	0	111.1	W41 F42 E48 C49 F258 N261 M262 L265	W41-A45 VanDerWaalsContact O-CB 3.24Å; W41-A45 WeakPolarHBondContact O-CB 3.46Å; W41-A45 PolarHBondContact O-N 2.99Å; F42-A45 PolarHBondContact O-N 2.96Å; A45-E48 PolarHBondContact O-N 3.3Å; A45-C49 WeakPolarHBondContact O-CB 3.42Å; A45-C49 PolarHBondContact O-N 3.45Å; A45-C49 PolarHBondContact O-SG 3.47Å; A45-C49 VanDerWaalsContact O-SG 3.42Å; A45-F258 HydrophobicContact CB-CD2 4.02Å; A45-F258 HydrophobicContact CB-CE2 3.62Å; A45-F258 HydrophobicContact CB-CZ 4.33Å; A45-N261 HydrophobicContact CB-CB 3.94Å; A45-M262 HydrophobicContact CB-CG 3.8Å; A45-M262 HydrophobicContact CB-SD 3.57Å; A45-M262 VanDerWaalsContact CB-SD 3.57Å; A45-L265 HydrophobicContact CB-CD1 4.01Å
46	V	97.5	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.5	-52.3	172	170.4	0	0	0	0	110.3	F42 E48 C49 I50 F62 I247 P253 L255 F258	F42-V46 HydrophobicContact CD1-CG2 3.95Å; F42-V46 HydrophobicContact CE1-CG2 3.68Å; F42-V46 HydrophobicContact CZ-CG2 4.2Å; F42-V46 WeakPolarHBondContact O-CG2 3.38Å; F42-V46 PolarHBondContact O-N 3.25Å; V46-E48 VanDerWaalsContact C-N 3.32Å; V46-E48 PolarHBondContact O-N 2.94Å; V46-C49 PolarHBondContact O-N 3.26Å; V46-I50 HydrophobicContact CG1-CG1 4.12Å; V46-I50 WeakPolarHBondContact O-CB 3.48Å; V46-I50 VanDerWaalsContact O-CG1 3.25Å; V46-I50 WeakPolarHBondContact O-CG1 3.49Å; V46-I50 PolarHBondContact O-N 2.91Å; V46-F62 HydrophobicContact CB-CZ 4.26Å; V46-F62 HydrophobicContact CG1-CE1 4.15Å; V46-F62 HydrophobicContact CG1-CE2 4.13Å; V46-F62 HydrophobicContact CG1-CZ 3.74Å; V46-I247 HydrophobicContact CG1-CD1 3.5Å; V46-I247 VanDerWaalsContact CG1-CD1 3.5Å; V46-I247 HydrophobicContact CG2-CG2 4.13Å; V46-P253 HydrophobicContact CG2-CG 4.21Å; V46-L255 HydrophobicContact CG1-CD1 4.34Å; V46-F258 HydrophobicContact CG2-CD2 4.35Å; V46-F258 HydrophobicContact CG2-CE2 3.62Å; V46-F258 HydrophobicContact CG2-CZ 4.41Å
47	E	98.3	Very high	96.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-53.1	-48.8	179.8	-176.1	-177.3	-107.7	0	0	111.4	N43 L44 F51 F62 T114 M116 H176	N43-E47 WeakPolarHBondContact O-CB 3.28Å; N43-E47 PolarHBondContact O-N 3.14Å; L44-E47 PolarHBondContact O-N 3.48Å; E47-F51 WeakPolarHBondContact O-CB 3.48Å; E47-F51 PolarHBondContact O-N 3.39Å; E47-F62 HydrophobicContact CB-CD1 4.35Å; E47-F62 HydrophobicContact CB-CE1 4.25Å; E47-T114 HydrophobicContact CG-CG2 4.06Å; E47-T114 WeakPolarHBondContact OE1-CB 3.45Å; E47-T114 WeakPolarHBondContact OE1-CG2 3.39Å; E47-T114 PolarHBondContact OE1-OG1 2.56Å; E47-M116 HydrophobicContact CB-CE 4.5Å; E47-M116 HydrophobicContact CG-CE 3.74Å; E47-M116 WeakPolarHBondContact O-CE 3.23Å; E47-H176 IonicContact OE1-CE1 3.63Å; E47-H176 IonicContact OE1-CG 2.72Å; E47-H176 IonicContact OE1-ND1 3.63Å; E47-H176 PolarHBondContact OE1-ND1 3.45Å; E47-H176 IonicContact OE2-CE1 3.25Å; E47-H176 IonicContact OE2-ND1 3.63Å; E47-H176 PolarHBondContact OE2-ND1 3.49Å
48	E	97.3	Very high	96.6	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.093	17%	0.171	C	C	.	.	H	α-helix	trans	-68.2	-40.6	-178.7	-174.6	74.6	-173.9	0	0	112.5	L44 A45 V46 F51 R52 S98 R167	L44-E48 WeakPolarHBondContact O-CB 3.46Å; L44-E48 PolarHBondContact O-N 2.98Å; A45-E48 PolarHBondContact O-N 3.3Å; V46-E48 VanDerWaalsContact C-N 3.32Å; V46-E48 PolarHBondContact O-N 2.94Å; E48-F51 PolarHBondContact O-N 3.36Å; E48-R52 WeakPolarHBondContact O-CB 3.38Å; E48-R52 VanDerWaalsContact O-CG 3.28Å; E48-R52 WeakPolarHBondContact O-CG 3.45Å; E48-R52 PolarHBondContact O-N 3.23Å; E48-R52 IonicContact OE1-CZ 3.77Å; E48-R52 IonicContact OE1-NE 2.71Å; E48-R52 PolarHBondContact OE1-NE 3.48Å; E48-R52 IonicContact OE1-NH2 2.84Å; E48-R52 PolarHBondContact OE1-NH2 2.93Å; E48-S98 PolarHBondContact OE2-OG 3.18Å; E48-R167 VanDerWaalsContact CD-NH1 3.35Å; E48-R167 IonicContact OE1-CZ 3.13Å; E48-R167 IonicContact OE1-NH1 3.95Å; E48-R167 PolarHBondContact OE1-NH1 3.29Å; E48-R167 IonicContact OE1-NH2 3.32Å; E48-R167 PolarHBondContact OE1-NH2 2.81Å; E48-R167 IonicContact OE2-CZ 2.86Å; E48-R167 VanDerWaalsContact OE2-CZ 3.23Å; E48-R167 IonicContact OE2-NH1 2.75Å; E48-R167 PolarHBondContact OE2-NH1 3.31Å; E48-R167 IonicContact OE2-NH2 3.84Å; E48-R167 PolarHBondContact OE2-NH2 2.85Å
49	C	96.5	Very high	96.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-51.1	176.8	-82.3	0	0	0	0	111.7	A45 V46 F51 R52 Q53 L255 P256 F258 N261	A45-C49 WeakPolarHBondContact O-CB 3.42Å; A45-C49 PolarHBondContact O-N 3.45Å; A45-C49 PolarHBondContact O-SG 3.47Å; A45-C49 VanDerWaalsContact O-SG 3.42Å; V46-C49 PolarHBondContact O-N 3.26Å; C49-F51 VanDerWaalsContact C-N 3.33Å; C49-F51 PolarHBondContact O-N 2.97Å; C49-R52 PolarHBondContact O-N 3.15Å; C49-Q53 WeakPolarHBondContact O-CG 3.42Å; C49-Q53 PolarHBondContact O-N 3.32Å; C49-Q53 VanDerWaalsContact O-N 3.14Å; C49-L255 HydrophobicContact CB-CB 3.91Å; C49-L255 HydrophobicContact CB-CD1 3.92Å; C49-L255 HydrophobicContact CB-CG 4.47Å; C49-P256 PolarHBondContact SG-O 3.15Å; C49-P256 VanDerWaalsContact SG-O 3.39Å; C49-F258 VanDerWaalsContact SG-CA 3.55Å; C49-N261 PolarHBondContact SG-ND2 3.08Å
50	I	96.3	Very high	96.7	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-48.4	177.4	-63.4	-67.9	0	0	0	109.7	L33 V46 R52 Q53 M54 V60 M116 L255	L33-I50 HydrophobicContact CD1-CB 4.46Å; L33-I50 HydrophobicContact CD1-CD1 3.75Å; L33-I50 HydrophobicContact CD1-CG1 3.87Å; L33-I50 HydrophobicContact CD1-CG2 3.81Å; V46-I50 HydrophobicContact CG1-CG1 4.12Å; V46-I50 WeakPolarHBondContact O-CB 3.48Å; V46-I50 VanDerWaalsContact O-CG1 3.25Å; V46-I50 WeakPolarHBondContact O-CG1 3.49Å; V46-I50 PolarHBondContact O-N 2.91Å; I50-R52 VanDerWaalsContact C-N 3.31Å; I50-R52 PolarHBondContact O-N 3.21Å; I50-Q53 PolarHBondContact O-N 3.04Å; I50-M54 WeakPolarHBondContact O-CB 3.24Å; I50-M54 PolarHBondContact O-N 3.48Å; I50-V60 HydrophobicContact CG2-CG1 4.02Å; I50-V60 HydrophobicContact CG2-CG2 4.34Å; I50-M116 HydrophobicContact CB-CE 4.37Å; I50-M116 HydrophobicContact CB-SD 4.44Å; I50-M116 HydrophobicContact CG2-CE 4.21Å; I50-M116 HydrophobicContact CG2-SD 3.85Å; I50-L255 HydrophobicContact CD1-CD1 3.84Å; I50-L255 HydrophobicContact CD1-CD2 3.57Å; I50-L255 HydrophobicContact CD1-CG 4.38Å; I50-L255 HydrophobicContact CG1-CD1 4.05Å
51	F	97.6	Very high	96.8	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-41.5	180	177.6	-113.2	0	0	0	112.9	E47 E48 C49 M116 T169 R172 F174	E47-F51 WeakPolarHBondContact O-CB 3.48Å; E47-F51 PolarHBondContact O-N 3.39Å; E48-F51 PolarHBondContact O-N 3.36Å; C49-F51 VanDerWaalsContact C-N 3.33Å; C49-F51 PolarHBondContact O-N 2.97Å; F51-M116 HydrophobicContact CB-CE 4.27Å; F51-M116 HydrophobicContact CB-SD 3.82Å; F51-M116 HydrophobicContact CD2-SD 4.19Å; F51-T169 HydrophobicContact CE1-CG2 3.85Å; F51-T169 HydrophobicContact CZ-CG2 4.06Å; F51-R172 HydrophobicContact CD2-CG 4.38Å; F51-R172 HydrophobicContact CE1-CG 4.22Å; F51-R172 HydrophobicContact CE2-CB 4.01Å; F51-R172 HydrophobicContact CE2-CG 3.57Å; F51-R172 HydrophobicContact CZ-CB 4.34Å; F51-R172 HydrophobicContact CZ-CG 3.5Å; F51-R172 VanDerWaalsContact CZ-CG 3.5Å; F51-R172 WeakPolarHBondContact O-CD 3.43Å; F51-R172 PolarHBondContact O-NH1 2.66Å; F51-F174 HydrophobicContact CB-CD1 4.42Å; F51-F174 HydrophobicContact CD1-CD1 4.01Å; F51-F174 HydrophobicContact CD1-CE1 4.23Å; F51-F174 HydrophobicContact CD2-CB 4.11Å; F51-F174 AromaticContact CD2-CD1 3.6Å; F51-F174 HydrophobicContact CD2-CD1 3.6Å; F51-F174 HydrophobicContact CD2-CG 4.35Å; F51-F174 HydrophobicContact CE1-CD1 4.12Å; F51-F174 HydrophobicContact CE1-CE1 4.39Å; F51-F174 HydrophobicContact CE2-CB 4.15Å; F51-F174 AromaticContact CE2-CD1 3.7Å; F51-F174 HydrophobicContact CE2-CD1 3.7Å; F51-F174 HydrophobicContact CE2-CG 4.41Å; F51-F174 AromaticContact CG-CD1 3.74Å; F51-F174 HydrophobicContact CG-CD1 3.74Å; F51-F174 HydrophobicContact CG-CE1 4.29Å; F51-F174 AromaticContact CZ-CD1 3.93Å; F51-F174 HydrophobicContact CZ-CD1 3.93Å
52	R	95.9	Very high	96.9	Very high	147 Å²	147	27.3 Å²	27.3	56%	0.555	14%	0.144	S	C	*	.	H	α-helix	trans	-73.1	-29.6	-178.7	-75.1	179.1	-179.8	-81.1	0.2	113.7	E48 C49 I50 R172	E48-R52 WeakPolarHBondContact O-CB 3.38Å; E48-R52 VanDerWaalsContact O-CG 3.28Å; E48-R52 WeakPolarHBondContact O-CG 3.45Å; E48-R52 PolarHBondContact O-N 3.23Å; E48-R52 IonicContact OE1-CZ 3.77Å; E48-R52 IonicContact OE1-NE 2.71Å; E48-R52 PolarHBondContact OE1-NE 3.48Å; E48-R52 IonicContact OE1-NH2 2.84Å; E48-R52 PolarHBondContact OE1-NH2 2.93Å; C49-R52 PolarHBondContact O-N 3.15Å; I50-R52 VanDerWaalsContact C-N 3.31Å; I50-R52 PolarHBondContact O-N 3.21Å; R52-R172 PolarHBondContact O-NH1 3.26Å
53	Q	93.4	Very high	97	Very high	77 Å²	77	26.7 Å²	26.7	36%	0.36	14%	0.141	S	C	.	.	H	α-helix	trans	-101	-10.7	-174.4	-62.6	166.8	23.4	0	0	113.4	C49 I50 P256	C49-Q53 WeakPolarHBondContact O-CG 3.42Å; C49-Q53 PolarHBondContact O-N 3.32Å; C49-Q53 VanDerWaalsContact O-N 3.14Å; I50-Q53 PolarHBondContact O-N 3.04Å; Q53-P256 HydrophobicContact CG-CG 4.46Å; Q53-P256 VanDerWaalsContact NE2-CG 3.3Å; Q53-P256 PolarHBondContact NE2-O 3.32Å
54	M	95.1	Very high	97	Very high	4 Å²	4	27 Å²	27	2%	0.02	14%	0.142	C	C	.	.			trans	-49.9	127.9	179.9	-175.1	-175.4	76.8	0	0	111.5	I50 Q58 V60 M116 R172	I50-M54 WeakPolarHBondContact O-CB 3.24Å; I50-M54 PolarHBondContact O-N 3.48Å; M54-Q58 HydrophobicContact CG-CB 3.93Å; M54-Q58 HydrophobicContact CG-CG 4.36Å; M54-V60 HydrophobicContact CG-CG2 3.9Å; M54-V60 HydrophobicContact SD-CG2 3.74Å; M54-M116 HydrophobicContact CE-CB 4.45Å; M54-M116 HydrophobicContact SD-CB 3.56Å; M54-M116 VanDerWaalsContact SD-CB 3.56Å; M54-R172 HydrophobicContact CE-CB 3.94Å; M54-R172 PolarHBondContact O-NH1 2.88Å; M54-R172 PolarHBondContact O-NH2 2.91Å
55	P	95.3	Very high	97.1	Very high	58 Å²	58	28 Å²	28	38%	0.377	15%	0.145	S	C	.	.			trans	-57.5	149.4	170.5	-24.7	34.8	0	0	0	111.9	T57 Q58	P55-T57 PolarHBondContact O-N 2.87Å; P55-T57 VanDerWaalsContact O-N 3.12Å; P55-Q58 HydrophobicContact CB-CB 4.16Å; P55-Q58 HydrophobicContact CG-CB 4.36Å; P55-Q58 PolarHBondContact O-N 2.88Å; P55-Q58 VanDerWaalsContact O-N 3.09Å
56	A	94.3	Very high	97.2	Very high	74 Å²	74	28 Å²	28	61%	0.612	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.9	-174.2	0	0	0	0	0	114.3
57	T	95.7	Very high	97.2	Very high	94 Å²	94	29.9 Å²	29.9	58%	0.577	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	0.6	-178.6	55.2	0	0	0	0	113.7	P55 R59	P55-T57 PolarHBondContact O-N 2.87Å; P55-T57 VanDerWaalsContact O-N 3.12Å; T57-R59 PolarHBondContact O-NH1 3.36Å
58	Q	97.2	Very high	97.2	Very high	25 Å²	25	32.4 Å²	32.4	12%	0.117	18%	0.175	C	C	.	.			trans	-87.6	144.9	-175.6	-171.7	172.1	71.4	0	0	111.5	T29 R31 M54 P55 V60	T29-Q58 CarbonylContact O-C 3.51Å; T29-Q58 VanDerWaalsContact O-CA 3.24Å; T29-Q58 WeakPolarHBondContact O-CA 3.42Å; R31-Q58 HydrophobicContact CB-CG 4.24Å; M54-Q58 HydrophobicContact CG-CB 3.93Å; M54-Q58 HydrophobicContact CG-CG 4.36Å; P55-Q58 HydrophobicContact CB-CB 4.16Å; P55-Q58 HydrophobicContact CG-CB 4.36Å; P55-Q58 PolarHBondContact O-N 2.88Å; P55-Q58 VanDerWaalsContact O-N 3.09Å; Q58-V60 HydrophobicContact CG-CG2 3.95Å
59	R	98.4	Very high	97.2	Very high	45 Å²	45	31.4 Å²	31.4	17%	0.17	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.6	166.7	-54.6	91.9	-172.4	177.2	5.5	108.4	T29 L30 R31 T57 M116 A117 E121 F234 Y238	T29-R59 PolarHBondContact O-N 2.89Å; T29-R59 PolarHBondContact OG1-NH1 3.25Å; L30-R59 CarbonylContact C-O 3.54Å; L30-R59 WeakPolarHBondContact CA-O 3.46Å; L30-R59 HydrophobicContact CD2-CB 3.89Å; R31-R59 PolarHBondContact N-O 3.26Å; T57-R59 PolarHBondContact O-NH1 3.36Å; R59-M116 CarbonylContact C-O 3.57Å; R59-M116 VanDerWaalsContact CA-O 3.28Å; R59-M116 WeakPolarHBondContact CA-O 3.25Å; R59-A117 HydrophobicContact CG-CB 4.28Å; R59-E121 IonicContact CZ-OE1 3.64Å; R59-E121 IonicContact CZ-OE2 2.68Å; R59-E121 VanDerWaalsContact CZ-OE2 3.3Å; R59-E121 VanDerWaalsContact NE-CD 3.33Å; R59-E121 IonicContact NE-OE1 2.88Å; R59-E121 PolarHBondContact NE-OE1 3.29Å; R59-E121 IonicContact NE-OE2 3.92Å; R59-E121 PolarHBondContact NE-OE2 3.42Å; R59-E121 VanDerWaalsContact NE-OE2 3.13Å; R59-E121 VanDerWaalsContact NH2-CD 3.29Å; R59-E121 IonicContact NH2-OE1 3.28Å; R59-E121 PolarHBondContact NH2-OE1 2.82Å; R59-E121 IonicContact NH2-OE2 3.61Å; R59-E121 PolarHBondContact NH2-OE2 2.96Å; R59-F234 HydrophobicContact CB-CE2 4.38Å; R59-F234 HydrophobicContact CB-CZ 4.37Å; R59-Y238 HydrophobicContact CB-CE1 4.48Å; R59-Y238 HydrophobicContact CB-CE2 4.37Å; R59-Y238 HydrophobicContact CG-CD1 4.46Å; R59-Y238 HydrophobicContact CG-CE1 3.81Å
60	V	98.7	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.4	-174.9	-175.2	0	0	0	0	109.4	R31 L33 I50 M54 Q58 F115 M116	R31-V60 HydrophobicContact CB-CG1 4.42Å; R31-V60 HydrophobicContact CB-CG2 4.17Å; R31-V60 WeakPolarHBondContact O-CA 3.4Å; L33-V60 HydrophobicContact CD1-CG1 3.69Å; L33-V60 HydrophobicContact CG-CG1 4.46Å; I50-V60 HydrophobicContact CG2-CG1 4.02Å; I50-V60 HydrophobicContact CG2-CG2 4.34Å; M54-V60 HydrophobicContact CG-CG2 3.9Å; M54-V60 HydrophobicContact SD-CG2 3.74Å; Q58-V60 HydrophobicContact CG-CG2 3.95Å; V60-F115 CarbonylContact O-C 3.52Å; V60-F115 VanDerWaalsContact O-CA 3.32Å; V60-F115 WeakPolarHBondContact O-CA 3.2Å; V60-M116 HydrophobicContact CB-CB 4.01Å; V60-M116 HydrophobicContact CB-CG 4.17Å; V60-M116 HydrophobicContact CB-SD 4.31Å; V60-M116 HydrophobicContact CG1-SD 4.49Å; V60-M116 HydrophobicContact CG2-CB 4.45Å; V60-M116 PolarHBondContact N-O 2.79Å; V60-M116 PolarHBondContact O-N 2.72Å
61	L	98.9	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.2	162.2	173	58.2	0	0	0	108.4	R31 L32 L33 L63 T114 F115 I230 F234	R31-L61 PolarHBondContact O-N 3.23Å; L32-L61 HydrophobicContact CD1-CB 4.14Å; L32-L61 HydrophobicContact CD1-CD2 3.82Å; L32-L61 HydrophobicContact CD1-CG 3.9Å; L33-L61 PolarHBondContact N-O 3.38Å; L61-L63 HydrophobicContact CD1-CD2 3.98Å; L61-L63 HydrophobicContact CD1-CG 4.15Å; L61-L63 HydrophobicContact CD2-CD1 4.29Å; L61-L63 HydrophobicContact CD2-CG 4.46Å; L61-L63 HydrophobicContact CG-CD1 4.44Å; L61-L63 HydrophobicContact CG-CD2 4.45Å; L61-L63 HydrophobicContact CG-CG 4.13Å; L61-T114 WeakPolarHBondContact CA-O 3.43Å; L61-F115 HydrophobicContact CD1-CD1 4.12Å; L61-F115 HydrophobicContact CD1-CE1 3.77Å; L61-F115 HydrophobicContact CD1-CE2 4.23Å; L61-F115 HydrophobicContact CD1-CZ 3.83Å; L61-I230 HydrophobicContact CD1-CG2 4.01Å; L61-I230 HydrophobicContact CD2-CG2 3.93Å; L61-F234 HydrophobicContact CB-CD1 3.98Å; L61-F234 HydrophobicContact CB-CD2 4.28Å; L61-F234 HydrophobicContact CB-CE1 3.91Å; L61-F234 HydrophobicContact CB-CE2 4.21Å; L61-F234 HydrophobicContact CB-CG 4.16Å; L61-F234 HydrophobicContact CB-CZ 4.03Å; L61-F234 HydrophobicContact CD2-CB 3.86Å; L61-F234 HydrophobicContact CD2-CD1 3.97Å; L61-F234 HydrophobicContact CD2-CG 3.93Å
62	F	98.8	Very high	97.3	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	174.2	175.9	-135.2	0	0	0	110.2	L33 V46 E47 W64 F113 T114 I247	L33-F62 HydrophobicContact CB-CB 4.33Å; L33-F62 HydrophobicContact CB-CD2 3.68Å; L33-F62 HydrophobicContact CB-CE2 4.48Å; L33-F62 HydrophobicContact CB-CG 4.42Å; L33-F62 WeakPolarHBondContact O-CA 3.45Å; V46-F62 HydrophobicContact CB-CZ 4.26Å; V46-F62 HydrophobicContact CG1-CE1 4.15Å; V46-F62 HydrophobicContact CG1-CE2 4.13Å; V46-F62 HydrophobicContact CG1-CZ 3.74Å; E47-F62 HydrophobicContact CB-CD1 4.35Å; E47-F62 HydrophobicContact CB-CE1 4.25Å; F62-W64 AromaticContact CD1-CD1 3.42Å; F62-W64 VanDerWaalsContact CD1-CD1 3.42Å; F62-W64 HydrophobicContact CD1-CG 4.15Å; F62-W64 AromaticContact CD1-NE1 3.61Å; F62-W64 HydrophobicContact CE1-CB 4.2Å; F62-W64 AromaticContact CE1-CD1 3.46Å; F62-W64 VanDerWaalsContact CE1-CD1 3.46Å; F62-W64 HydrophobicContact CE1-CD2 4.14Å; F62-W64 AromaticContact CE1-CG 3.72Å; F62-W64 HydrophobicContact CE1-CG 3.72Å; F62-W64 AromaticContact CE1-NE1 3.76Å; F62-W64 HydrophobicContact CE2-CB 4.22Å; F62-W64 AromaticContact CG-CD1 3.9Å; F62-W64 HydrophobicContact CZ-CB 3.87Å; F62-W64 AromaticContact CZ-CD1 3.96Å; F62-W64 AromaticContact CZ-CG 3.92Å; F62-W64 HydrophobicContact CZ-CG 3.92Å; F62-F113 CarbonylContact O-C 3.57Å; F62-F113 WeakPolarHBondContact O-CA 3.16Å; F62-T114 PolarHBondContact N-O 3.2Å; F62-T114 PolarHBondContact O-N 3.06Å; F62-I247 HydrophobicContact CE2-CD1 4.36Å
63	L	98.9	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.1	-178.1	-64.6	169.1	0	0	0	110	L32 L33 I34 S35 L61 F113 C227 I230	L32-L63 HydrophobicContact CD1-CD1 4.33Å; L33-L63 PolarHBondContact O-N 2.97Å; I34-L63 WeakPolarHBondContact CA-O 3.35Å; S35-L63 PolarHBondContact N-O 2.87Å; L61-L63 HydrophobicContact CD1-CD2 3.98Å; L61-L63 HydrophobicContact CD1-CG 4.15Å; L61-L63 HydrophobicContact CD2-CD1 4.29Å; L61-L63 HydrophobicContact CD2-CG 4.46Å; L61-L63 HydrophobicContact CG-CD1 4.44Å; L61-L63 HydrophobicContact CG-CD2 4.45Å; L61-L63 HydrophobicContact CG-CG 4.13Å; L63-F113 HydrophobicContact CD2-CB 3.99Å; L63-C227 HydrophobicContact CD1-CB 3.82Å; L63-I230 HydrophobicContact CD2-CD1 4.32Å; L63-I230 HydrophobicContact CD2-CG2 4.23Å
64	W	98.9	Very high	97.3	Very high	6 Å²	6	28.5 Å²	28.5	2%	0.023	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	165.1	-170.2	54.6	-72	0	0	0	111.9	N43 L44 F62 N66 C112 T114	N43-W64 HydrophobicContact CB-CD2 3.97Å; N43-W64 HydrophobicContact CB-CE3 3.24Å; N43-W64 HydrophobicContact CB-CH2 4.48Å; N43-W64 HydrophobicContact CB-CZ3 3.52Å; L44-W64 HydrophobicContact CD2-CH2 3.93Å; L44-W64 HydrophobicContact CG-CH2 4.33Å; F62-W64 AromaticContact CD1-CD1 3.42Å; F62-W64 VanDerWaalsContact CD1-CD1 3.42Å; F62-W64 HydrophobicContact CD1-CG 4.15Å; F62-W64 AromaticContact CD1-NE1 3.61Å; F62-W64 HydrophobicContact CE1-CB 4.2Å; F62-W64 AromaticContact CE1-CD1 3.46Å; F62-W64 VanDerWaalsContact CE1-CD1 3.46Å; F62-W64 HydrophobicContact CE1-CD2 4.14Å; F62-W64 AromaticContact CE1-CG 3.72Å; F62-W64 HydrophobicContact CE1-CG 3.72Å; F62-W64 AromaticContact CE1-NE1 3.76Å; F62-W64 HydrophobicContact CE2-CB 4.22Å; F62-W64 AromaticContact CG-CD1 3.9Å; F62-W64 HydrophobicContact CZ-CB 3.87Å; F62-W64 AromaticContact CZ-CD1 3.96Å; F62-W64 AromaticContact CZ-CG 3.92Å; F62-W64 HydrophobicContact CZ-CG 3.92Å; W64-N66 VanDerWaalsContact CE3-ND2 3.33Å; W64-N66 WeakPolarHBondContact CZ3-ND2 3.34Å; W64-N66 VanDerWaalsContact CZ3-OD1 3.32Å; W64-N66 WeakPolarHBondContact CZ3-OD1 3.44Å; W64-C112 HydrophobicContact CD2-CB 3.6Å; W64-C112 HydrophobicContact CE3-CB 4.13Å; W64-C112 HydrophobicContact CG-CB 3.91Å; W64-C112 HydrophobicContact CZ2-CB 4.05Å; W64-C112 PolarHBondContact N-O 2.84Å; W64-C112 WeakPolarHBondContact O-CA 3.5Å; W64-C112 VanDerWaalsContact O-CB 3.25Å; W64-C112 WeakPolarHBondContact O-CB 3.4Å; W64-C112 PolarHBondContact O-N 3.32Å; W64-T114 PolarHBondContact NE1-OG1 2.8Å; W64-T114 VanDerWaalsContact NE1-OG1 3.13Å
65	R	98.8	Very high	97	Very high	29 Å²	29	31.2 Å²	31.2	11%	0.109	18%	0.179	C	C	.	.			trans	-142.9	161.6	172.7	-70.7	-166	-72.1	176	-6.3	110.4	S37 Y38 N43 L108 N110 H223 E224	S37-R65 VanDerWaalsContact O-O 3.12Å; Y38-R65 WeakPolarHBondContact CA-O 3.26Å; Y38-R65 HydrophobicContact CD1-CB 4.39Å; N43-R65 PolarHBondContact ND2-O 3.33Å; R65-L108 PolarHBondContact NH1-O 3.44Å; R65-N110 VanDerWaalsContact CD-O 3.23Å; R65-N110 WeakPolarHBondContact CD-O 3.41Å; R65-N110 WeakPolarHBondContact CG-O 3.48Å; R65-H223 VanDerWaalsContact CD-ND1 3.33Å; R65-H223 WeakPolarHBondContact CD-ND1 3.38Å; R65-H223 VanDerWaalsContact CZ-CD2 3.49Å; R65-H223 PolarHBondContact NE-CD2 2.82Å; R65-H223 PolarHBondContact NE-ND1 2.95Å; R65-H223 VanDerWaalsContact NH1-CB 3.29Å; R65-H223 PolarHBondContact NH2-CD2 3.18Å; R65-H223 VanDerWaalsContact NH2-CG 3.32Å; R65-E224 IonicContact NH2-OE1 2.68Å
66	N	98.8	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.			trans	-129.5	140.8	177.6	-47	-73.2	0	0	0	109.5	Y38 P40 N43 W64 H106 D107	Y38-N66 WeakPolarHBondContact O-CA 3.25Å; P40-N66 WeakPolarHBondContact CA-OD1 3.41Å; P40-N66 HydrophobicContact CB-CB 4.18Å; N43-N66 PolarHBondContact ND2-OD1 2.72Å; W64-N66 VanDerWaalsContact CE3-ND2 3.33Å; W64-N66 WeakPolarHBondContact CZ3-ND2 3.34Å; W64-N66 VanDerWaalsContact CZ3-OD1 3.32Å; W64-N66 WeakPolarHBondContact CZ3-OD1 3.44Å; N66-H106 HydrophobicContact CB-CB 4.13Å; N66-H106 PolarHBondContact ND2-ND1 3.18Å; N66-D107 CarbonylContact O-C 3.56Å; N66-D107 VanDerWaalsContact O-CA 3.28Å; N66-D107 WeakPolarHBondContact O-CA 3.48Å
67	A	98.5	Very high	96.4	Very high	41 Å²	41	26.7 Å²	26.7	34%	0.339	14%	0.141	S	C	.	.	S	Bend	trans	-77.4	141.3	169	0	0	0	0	0	109.5	Y38 T69	Y38-A67 PolarHBondContact O-N 2.93Å; A67-T69 PolarHBondContact O-N 2.69Å; A67-T69 VanDerWaalsContact O-N 3.12Å; A67-T69 PolarHBondContact O-OG1 3.14Å
68	D	98.2	Very high	96.1	Very high	54 Å²	54	22.3 Å²	22.3	29%	0.289	12%	0.115	S	C	.	.	S	Bend	trans	28.1	71.3	164.7	-67.6	1.8	0	0	0	115.3	V92 R93 H106 R187	D68-V92 HydrophobicContact CB-CG2 4.36Å; D68-V92 CarbonylContact O-C 3.58Å; D68-V92 VanDerWaalsContact O-CA 3.29Å; D68-V92 WeakPolarHBondContact O-CA 3.47Å; D68-V92 WeakPolarHBondContact O-CG1 3.48Å; D68-R93 PolarHBondContact O-N 3.03Å; D68-H106 WeakPolarHBondContact CA-O 3.34Å; D68-H106 PolarHBondContact N-O 3.45Å; D68-R187 IonicContact OD1-CZ 2.75Å; D68-R187 IonicContact OD1-NH1 2.65Å; D68-R187 PolarHBondContact OD1-NH1 2.96Å; D68-R187 IonicContact OD1-NH2 3.83Å; D68-R187 IonicContact OD2-CZ 3.06Å; D68-R187 IonicContact OD2-NH1 3.3Å; D68-R187 PolarHBondContact OD2-NH1 2.78Å; D68-R187 IonicContact OD2-NH2 2.69Å; D68-R187 PolarHBondContact OD2-NH2 3.44Å
69	T	98	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.7	-174.2	-64.9	0	0	0	0	111.3	P40 A67 V71 R93 A95 F105 H106	P40-T69 HydrophobicContact CB-CG2 3.67Å; P40-T69 HydrophobicContact CG-CG2 3.74Å; P40-T69 VanDerWaalsContact CG-OG1 3.3Å; P40-T69 WeakPolarHBondContact CG-OG1 3.49Å; A67-T69 PolarHBondContact O-N 2.69Å; A67-T69 VanDerWaalsContact O-N 3.12Å; A67-T69 PolarHBondContact O-OG1 3.14Å; T69-V71 HydrophobicContact CG2-CG2 3.75Å; T69-R93 CarbonylContact C-O 3.58Å; T69-R93 WeakPolarHBondContact CA-O 3.41Å; T69-R93 HydrophobicContact CG2-CB 4.41Å; T69-A95 HydrophobicContact CG2-CB 4.06Å; T69-F105 CarbonylContact O-C 3.46Å; T69-F105 WeakPolarHBondContact O-CA 3.24Å; T69-F105 WeakPolarHBondContact O-CD2 3.33Å; T69-H106 PolarHBondContact N-O 2.76Å; T69-H106 PolarHBondContact O-N 2.76Å
70	V	97.6	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.1	158.6	176.3	0	0	0	0	109.4	I72 C82 M87 V92 R93 L94 A95 A103 V104 F105 L192	V70-I72 HydrophobicContact CG1-CG2 4.09Å; V70-C82 HydrophobicContact CG1-CB 3.93Å; V70-M87 HydrophobicContact CB-CE 3.6Å; V70-M87 HydrophobicContact CB-SD 3.97Å; V70-M87 HydrophobicContact CG2-CE 3.78Å; V70-M87 HydrophobicContact CG2-CG 4.28Å; V70-M87 HydrophobicContact CG2-SD 3.67Å; V70-V92 HydrophobicContact CG2-CG1 4.21Å; V70-R93 PolarHBondContact N-O 2.89Å; V70-L94 HydrophobicContact CB-CD1 4.49Å; V70-L94 HydrophobicContact CG1-CD1 4.43Å; V70-A95 PolarHBondContact O-N 3.29Å; V70-A103 HydrophobicContact CG1-CB 4.42Å; V70-V104 CarbonylContact C-O 3.48Å; V70-V104 WeakPolarHBondContact CA-O 3.46Å; V70-F105 HydrophobicContact CG2-CD2 4.11Å; V70-L192 HydrophobicContact CG1-CD2 3.79Å; V70-L192 HydrophobicContact CG2-CD2 4.29Å
71	V	97.8	Very high	94.5	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.024	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.4	174.9	-171.4	0	0	0	0	110	T69 A95 R97 A103 V104 H106	T69-V71 HydrophobicContact CG2-CG2 3.75Å; V71-A95 CarbonylContact C-O 3.57Å; V71-A95 VanDerWaalsContact CA-O 3.26Å; V71-A95 WeakPolarHBondContact CA-O 3.23Å; V71-A95 HydrophobicContact CG2-CB 4.36Å; V71-R97 HydrophobicContact CG1-CB 3.95Å; V71-R97 HydrophobicContact CG1-CG 4.13Å; V71-R97 PolarHBondContact O-NH1 2.79Å; V71-A103 WeakPolarHBondContact O-CA 3.34Å; V71-V104 HydrophobicContact CB-CG2 4.03Å; V71-V104 PolarHBondContact N-O 3.42Å; V71-V104 PolarHBondContact O-N 2.8Å; V71-H106 VanDerWaalsContact CG2-CE1 3.41Å; V71-H106 WeakPolarHBondContact CG2-CE1 3.16Å; V71-H106 WeakPolarHBondContact CG2-ND1 3.42Å
72	I	95.9	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	149.2	177.9	65.5	169.7	0	0	0	111.6	V70 Q76 P78 L94 A95 R96 R97 A103	V70-I72 HydrophobicContact CG1-CG2 4.09Å; I72-Q76 HydrophobicContact CB-CB 4.19Å; I72-P78 HydrophobicContact CD1-CB 3.95Å; I72-P78 HydrophobicContact CD1-CG 4.21Å; I72-L94 HydrophobicContact CD1-CD1 4.24Å; I72-L94 HydrophobicContact CG1-CD1 4.24Å; I72-L94 HydrophobicContact CG2-CD1 3.88Å; I72-A95 PolarHBondContact N-O 2.87Å; I72-R96 HydrophobicContact CD1-CB 4.43Å; I72-R96 VanDerWaalsContact CD1-CZ 3.48Å; I72-R96 HydrophobicContact CG1-CB 4.06Å; I72-R96 HydrophobicContact CG1-CG 4.28Å; I72-R97 VanDerWaalsContact C-NH1 3.27Å; I72-R97 WeakPolarHBondContact O-CG 3.31Å; I72-R97 PolarHBondContact O-N 3.47Å; I72-A103 HydrophobicContact CG2-CB 3.9Å
73	G	95.6	Very high	93.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.			trans	-68.1	155.9	174.7	0	0	0	0	0	112.4	A75 Q76 R96	G73-A75 PolarHBondContact O-N 2.99Å; G73-Q76 WeakPolarHBondContact O-CB 3.49Å; G73-Q76 PolarHBondContact O-N 3.36Å; G73-R96 PolarHBondContact O-NH1 3.36Å
74	R	93.3	Very high	93.3	Very high	164 Å²	164	24.5 Å²	24.5	62%	0.619	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-44.1	-176.9	-178.1	178.2	177.8	147.6	1.3	114.2	R96 R97 S99	R74-R96 PolarHBondContact O-NH1 2.93Å; R74-R97 WeakPolarHBondContact CA-O 3.2Å; R74-R97 PolarHBondContact N-O 2.78Å; R74-S99 WeakPolarHBondContact CB-O 3.44Å; R74-S99 PolarHBondContact N-O 3.42Å
75	A	90.6	Very high	92.7	Very high	61 Å²	61	27.4 Å²	27.4	50%	0.504	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	20.1	-173.5	0	0	0	0	0	114.6	G73 G203 I204	G73-A75 PolarHBondContact O-N 2.99Å; A75-G203 WeakPolarHBondContact O-CA 3.26Å; A75-I204 HydrophobicContact CB-CG1 3.98Å; A75-I204 PolarHBondContact O-N 3.46Å
76	Q	89.1	Confident	92.4	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.028	15%	0.147	C	C	.	.			trans	-91.5	150.3	178.4	-66.7	-160.1	-76.6	0	0	113	I72 G73 E81 R96 G101 G102 I204 S206	I72-Q76 HydrophobicContact CB-CB 4.19Å; G73-Q76 WeakPolarHBondContact O-CB 3.49Å; G73-Q76 PolarHBondContact O-N 3.36Å; Q76-E81 HydrophobicContact CB-CG 4.25Å; Q76-E81 PolarHBondContact NE2-OE2 2.92Å; Q76-R96 PolarHBondContact O-NH1 2.95Å; Q76-R96 PolarHBondContact O-NH2 3.21Å; Q76-G101 VanDerWaalsContact CD-O 3.28Å; Q76-G101 WeakPolarHBondContact CG-O 3.2Å; Q76-G101 PolarHBondContact OE1-O 2.92Å; Q76-G102 PolarHBondContact OE1-O 2.97Å; Q76-I204 HydrophobicContact CG-CB 4.24Å; Q76-I204 HydrophobicContact CG-CG2 4.49Å; Q76-I204 WeakPolarHBondContact CG-O 3.35Å; Q76-S206 PolarHBondContact NE2-OG 2.6Å
77	N	86.7	Confident	92.1	Very high	31 Å²	31	30.4 Å²	30.4	17%	0.166	15%	0.148	C	C	.	.			trans	-94	112.6	170	179.3	-55.5	0	0	0	109.1	W79 K80 E81 A201	N77-W79 VanDerWaalsContact C-N 3.33Å; N77-W79 PolarHBondContact O-N 2.85Å; N77-W79 WeakPolarHBondContact OD1-CB 3.25Å; N77-W79 PolarHBondContact OD1-N 3.25Å; N77-K80 HydrophobicContact CB-CB 4.06Å; N77-K80 PolarHBondContact O-N 3.27Å; N77-K80 VanDerWaalsContact O-N 3.15Å; N77-K80 PolarHBondContact OD1-N 2.97Å; N77-K80 VanDerWaalsContact OD1-N 3.16Å; N77-E81 WeakPolarHBondContact O-CG 3.39Å; N77-E81 PolarHBondContact O-N 2.92Å; N77-A201 HydrophobicContact CB-CB 4.26Å; N77-A201 VanDerWaalsContact ND2-CB 3.29Å; N77-A201 WeakPolarHBondContact ND2-CB 3.37Å
78	P	89	Confident	91.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.013	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-43.1	-175.1	17.5	-28.2	0	0	0	112.9	I72 K80 E81 C82 T84 L94 I272	I72-P78 HydrophobicContact CD1-CB 3.95Å; I72-P78 HydrophobicContact CD1-CG 4.21Å; P78-K80 PolarHBondContact O-N 3.09Å; P78-E81 PolarHBondContact O-N 2.89Å; P78-C82 PolarHBondContact O-N 3.5Å; P78-C82 PolarHBondContact O-SG 2.9Å; P78-T84 HydrophobicContact CB-CG2 4.11Å; P78-L94 HydrophobicContact CB-CD1 4.31Å; P78-L94 HydrophobicContact CB-CD2 3.66Å; P78-L94 HydrophobicContact CG-CD2 4.2Å; P78-I272 HydrophobicContact CB-CG2 4.13Å; P78-I272 HydrophobicContact CG-CB 4.37Å; P78-I272 HydrophobicContact CG-CD1 4.13Å; P78-I272 HydrophobicContact CG-CG1 4.09Å; P78-I272 HydrophobicContact CG-CG2 3.38Å
79	W	83.9	Confident	91.4	Very high	32 Å²	32	36.3 Å²	36.3	12%	0.121	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-27.9	-178.2	-53.1	-63.9	0	0	0	114.8	N77 P194 K198 I272 L275 M276	N77-W79 VanDerWaalsContact C-N 3.33Å; N77-W79 PolarHBondContact O-N 2.85Å; N77-W79 WeakPolarHBondContact OD1-CB 3.25Å; N77-W79 PolarHBondContact OD1-N 3.25Å; W79-P194 WeakPolarHBondContact O-CB 3.05Å; W79-K198 HydrophobicContact CB-CD 4.21Å; W79-I272 HydrophobicContact CH2-CG2 4.35Å; W79-I272 HydrophobicContact CZ2-CG2 3.85Å; W79-I272 WeakPolarHBondContact CZ2-O 3.34Å; W79-L275 HydrophobicContact CH2-CB 3.56Å; W79-L275 HydrophobicContact CH2-CD1 4.18Å; W79-L275 HydrophobicContact CZ2-CB 3.95Å; W79-M276 HydrophobicContact CZ2-CG 3.58Å; W79-M276 PolarHBondContact NE1-SD 2.66Å
80	K	86.1	Confident	91.3	Very high	52 Å²	52	39.9 Å²	39.9	23%	0.226	19%	0.186	C	C	.	.	H	α-helix	trans	-81.9	-24.6	177.2	-177.8	177.1	-178.9	-175.3	0	111.7	N77 P78 P194 L199 A201 T205	N77-K80 HydrophobicContact CB-CB 4.06Å; N77-K80 PolarHBondContact O-N 3.27Å; N77-K80 VanDerWaalsContact O-N 3.15Å; N77-K80 PolarHBondContact OD1-N 2.97Å; N77-K80 VanDerWaalsContact OD1-N 3.16Å; P78-K80 PolarHBondContact O-N 3.09Å; K80-P194 VanDerWaalsContact O-CG 3.24Å; K80-P194 WeakPolarHBondContact O-CG 3.36Å; K80-L199 HydrophobicContact CB-CD2 4.22Å; K80-L199 HydrophobicContact CG-CD2 3.64Å; K80-A201 HydrophobicContact CD-CB 4.32Å; K80-A201 PolarHBondContact NZ-O 3.35Å; K80-A201 VanDerWaalsContact NZ-O 3.09Å; K80-T205 HydrophobicContact CD-CG2 4.43Å; K80-T205 VanDerWaalsContact NZ-CG2 3.28Å
81	E	90.9	Very high	91.1	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.075	22%	0.222	C	C	.	.	H	α-helix	trans	-109.9	-23.9	-166.9	-58.2	-62	138	0	0	112.5	Q76 N77 P78 A103 T205 S206	Q76-E81 HydrophobicContact CB-CG 4.25Å; Q76-E81 PolarHBondContact NE2-OE2 2.92Å; N77-E81 WeakPolarHBondContact O-CG 3.39Å; N77-E81 PolarHBondContact O-N 2.92Å; P78-E81 PolarHBondContact O-N 2.89Å; E81-A103 HydrophobicContact CB-CB 4.05Å; E81-T205 WeakPolarHBondContact OE1-CA 3.39Å; E81-S206 WeakPolarHBondContact OE2-CB 3.29Å; E81-S206 PolarHBondContact OE2-N 3.41Å; E81-S206 PolarHBondContact OE2-OG 2.93Å
82	C	91.4	Very high	91	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	22%	0.223	C	C	.	.	S	Bend	trans	-139.4	161.7	178.6	62.3	0	0	0	0	113.3	V70 P78 T84 M87 Y191	V70-C82 HydrophobicContact CG1-CB 3.93Å; P78-C82 PolarHBondContact O-N 3.5Å; P78-C82 PolarHBondContact O-SG 2.9Å; C82-T84 VanDerWaalsContact C-N 3.29Å; C82-T84 PolarHBondContact O-N 2.91Å; C82-T84 VanDerWaalsContact O-N 3.08Å; C82-M87 HydrophobicContact CB-SD 3.84Å; C82-M87 VanDerWaalsContact SG-SD 3.6Å; C82-Y191 CarbonylContact C-O 3.35Å; C82-Y191 WeakPolarHBondContact CA-O 3.28Å; C82-Y191 WeakPolarHBondContact CB-O 3.43Å
83	N	91.7	Very high	91	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	24%	0.24	C	C	.	.			trans	-82.8	72.5	175.1	-158.2	-45	0	0	0	110.5	R85 R86 M87 Y191 N193 D195	N83-R85 PolarHBondContact O-N 2.76Å; N83-R86 HydrophobicContact CB-CB 4.21Å; N83-R86 PolarHBondContact O-N 3.15Å; N83-R86 VanDerWaalsContact O-N 3.08Å; N83-R86 WeakPolarHBondContact OD1-CG 2.92Å; N83-R86 PolarHBondContact OD1-N 3.04Å; N83-R86 VanDerWaalsContact OD1-N 3.12Å; N83-M87 WeakPolarHBondContact O-CG 3.4Å; N83-M87 PolarHBondContact O-N 3.35Å; N83-Y191 PolarHBondContact N-O 2.91Å; N83-N193 WeakPolarHBondContact CB-O 3.36Å; N83-N193 PolarHBondContact ND2-O 3.08Å; N83-N193 VanDerWaalsContact ND2-O 3.1Å; N83-D195 PolarHBondContact ND2-OD1 3.32Å
84	T	88.5	Confident	91	Very high	11 Å²	11	51.7 Å²	51.7	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-27.7	-176.1	65.8	0	0	0	0	113.6	P78 C82 E88	P78-T84 HydrophobicContact CB-CG2 4.11Å; C82-T84 VanDerWaalsContact C-N 3.29Å; C82-T84 PolarHBondContact O-N 2.91Å; C82-T84 VanDerWaalsContact O-N 3.08Å; T84-E88 WeakPolarHBondContact O-CB 3.39Å; T84-E88 PolarHBondContact O-N 3.33Å
85	R	86.6	Confident	91.1	Very high	67 Å²	67	43.9 Å²	43.9	25%	0.253	21%	0.213	S	C	.	.	H	α-helix	trans	-68.9	-50.7	177	-179.6	-174.1	57.5	71.6	8.2	111.2	N83 M87 E88 E89 D195	N83-R85 PolarHBondContact O-N 2.76Å; R85-M87 VanDerWaalsContact C-N 3.25Å; R85-M87 PolarHBondContact O-N 3.34Å; R85-E88 PolarHBondContact O-N 3.1Å; R85-E89 WeakPolarHBondContact CG-OE1 3.45Å; R85-E89 IonicContact CZ-OE1 2.76Å; R85-E89 IonicContact CZ-OE2 3.51Å; R85-E89 IonicContact NH1-OE1 3.64Å; R85-E89 PolarHBondContact NH1-OE1 2.9Å; R85-E89 IonicContact NH1-OE2 2.76Å; R85-E89 PolarHBondContact NH1-OE2 3.33Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 2.81Å; R85-D195 IonicContact NE-OD2 3.66Å; R85-D195 PolarHBondContact NE-OD2 3.42Å; R85-D195 IonicContact NH2-OD1 3.43Å
86	R	91.6	Very high	91.3	Very high	88 Å²	88	43.2 Å²	43.2	33%	0.332	20%	0.197	S	C	.	.	H	α-helix	trans	-63.9	-35.2	176.3	-74.1	-176.7	171.7	157.8	-0.1	111.9	N83 E89 D90 N190 Y191	N83-R86 HydrophobicContact CB-CB 4.21Å; N83-R86 PolarHBondContact O-N 3.15Å; N83-R86 VanDerWaalsContact O-N 3.08Å; N83-R86 WeakPolarHBondContact OD1-CG 2.92Å; N83-R86 PolarHBondContact OD1-N 3.04Å; N83-R86 VanDerWaalsContact OD1-N 3.12Å; R86-E89 PolarHBondContact O-N 3.32Å; R86-D90 WeakPolarHBondContact O-CB 3.38Å; R86-D90 PolarHBondContact O-N 2.85Å; R86-N190 WeakPolarHBondContact CD-OD1 3.37Å; R86-N190 VanDerWaalsContact CZ-OD1 3.26Å; R86-N190 PolarHBondContact NE-OD1 2.86Å; R86-N190 PolarHBondContact NH1-OD1 3.02Å; R86-Y191 HydrophobicContact CB-CD1 4.16Å; R86-Y191 HydrophobicContact CB-CE1 4.16Å
87	M	93.2	Very high	91.6	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-46	175	-68.1	168.9	58.6	0	0	111.7	V70 C82 N83 R85 D90 N91 V92 R93 L94 Y191	V70-M87 HydrophobicContact CB-CE 3.6Å; V70-M87 HydrophobicContact CB-SD 3.97Å; V70-M87 HydrophobicContact CG2-CE 3.78Å; V70-M87 HydrophobicContact CG2-CG 4.28Å; V70-M87 HydrophobicContact CG2-SD 3.67Å; C82-M87 HydrophobicContact CB-SD 3.84Å; C82-M87 VanDerWaalsContact SG-SD 3.6Å; N83-M87 WeakPolarHBondContact O-CG 3.4Å; N83-M87 PolarHBondContact O-N 3.35Å; R85-M87 VanDerWaalsContact C-N 3.25Å; R85-M87 PolarHBondContact O-N 3.34Å; M87-D90 PolarHBondContact O-N 3.22Å; M87-N91 CarbonylContact O-C 3.53Å; M87-N91 WeakPolarHBondContact O-CA 3.22Å; M87-N91 PolarHBondContact O-N 2.98Å; M87-V92 HydrophobicContact CB-CB 3.96Å; M87-V92 HydrophobicContact CB-CG1 4.4Å; M87-V92 HydrophobicContact CE-CG1 4.26Å; M87-V92 HydrophobicContact CG-CB 4.09Å; M87-V92 HydrophobicContact CG-CG1 4.06Å; M87-V92 PolarHBondContact O-N 3.23Å; M87-R93 WeakPolarHBondContact CE-O 3.43Å; M87-L94 HydrophobicContact CE-CB 3.74Å; M87-L94 HydrophobicContact CE-CD1 4.04Å; M87-L94 HydrophobicContact CE-CG 4.43Å; M87-Y191 HydrophobicContact CG-CD1 3.84Å; M87-Y191 HydrophobicContact CG-CG 4.23Å
88	E	89.6	Confident	92.1	Very high	111 Å²	111	43.6 Å²	43.6	52%	0.519	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-43.6	174.9	-178.3	177.3	-142.7	0	0	111.9	T84 R85 D90 N91	T84-E88 WeakPolarHBondContact O-CB 3.39Å; T84-E88 PolarHBondContact O-N 3.33Å; R85-E88 PolarHBondContact O-N 3.1Å; E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 2.65Å; E88-N91 PolarHBondContact O-N 3.13Å
89	E	92.5	Very high	92.5	Very high	109 Å²	109	43.5 Å²	43.5	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-60.4	-39.5	176.9	-71.8	163.3	-175.6	0	0	112.5	R85 R86	R85-E89 WeakPolarHBondContact CG-OE1 3.45Å; R85-E89 IonicContact CZ-OE1 2.76Å; R85-E89 IonicContact CZ-OE2 3.51Å; R85-E89 IonicContact NH1-OE1 3.64Å; R85-E89 PolarHBondContact NH1-OE1 2.9Å; R85-E89 IonicContact NH1-OE2 2.76Å; R85-E89 PolarHBondContact NH1-OE2 3.33Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 2.81Å; R86-E89 PolarHBondContact O-N 3.32Å
90	D	95.7	Very high	92.9	Very high	75 Å²	75	43.8 Å²	43.8	40%	0.401	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	6.4	-174.9	-62.6	-17.2	0	0	0	113.5	R86 M87 E88 V92 Y191	R86-D90 WeakPolarHBondContact O-CB 3.38Å; R86-D90 PolarHBondContact O-N 2.85Å; M87-D90 PolarHBondContact O-N 3.22Å; E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 2.65Å; D90-V92 VanDerWaalsContact C-N 3.27Å; D90-V92 HydrophobicContact CB-CG2 4.08Å; D90-V92 PolarHBondContact O-N 2.78Å; D90-Y191 HydrophobicContact CB-CE1 4.16Å; D90-Y191 WeakPolarHBondContact CB-OH 3.35Å; D90-Y191 WeakPolarHBondContact OD2-CE1 3.13Å; D90-Y191 VanDerWaalsContact OD2-CZ 3.3Å; D90-Y191 PolarHBondContact OD2-OH 2.83Å
91	N	94.2	Very high	93.2	Very high	142 Å²	142	42.4 Å²	42.4	76%	0.759	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	34.4	-174.5	-56.6	-79.1	0	0	0	114.7	M87 E88	M87-N91 CarbonylContact O-C 3.53Å; M87-N91 WeakPolarHBondContact O-CA 3.22Å; M87-N91 PolarHBondContact O-N 2.98Å; E88-N91 PolarHBondContact O-N 3.13Å
92	V	95.4	Very high	93.4	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	22%	0.22	C	C	.	.			trans	-82	121.4	172.9	177.6	0	0	0	0	109.3	D68 V70 M87 D90 F105 Y191	D68-V92 HydrophobicContact CB-CG2 4.36Å; D68-V92 CarbonylContact O-C 3.58Å; D68-V92 VanDerWaalsContact O-CA 3.29Å; D68-V92 WeakPolarHBondContact O-CA 3.47Å; D68-V92 WeakPolarHBondContact O-CG1 3.48Å; V70-V92 HydrophobicContact CG2-CG1 4.21Å; M87-V92 HydrophobicContact CB-CB 3.96Å; M87-V92 HydrophobicContact CB-CG1 4.4Å; M87-V92 HydrophobicContact CE-CG1 4.26Å; M87-V92 HydrophobicContact CG-CB 4.09Å; M87-V92 HydrophobicContact CG-CG1 4.06Å; M87-V92 PolarHBondContact O-N 3.23Å; D90-V92 VanDerWaalsContact C-N 3.27Å; D90-V92 HydrophobicContact CB-CG2 4.08Å; D90-V92 PolarHBondContact O-N 2.78Å; V92-F105 HydrophobicContact CG1-CE2 4.17Å; V92-Y191 HydrophobicContact CG1-CD2 4.44Å; V92-Y191 HydrophobicContact CG2-CD1 4.38Å; V92-Y191 HydrophobicContact CG2-CD2 4.23Å; V92-Y191 HydrophobicContact CG2-CE1 3.85Å; V92-Y191 HydrophobicContact CG2-CE2 3.65Å; V92-Y191 VanDerWaalsContact CG2-CZ 3.46Å
93	R	95.1	Very high	93.6	Very high	93 Å²	93	43.1 Å²	43.1	35%	0.351	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	150.9	-177.2	-67.2	-176.9	-175.2	-173.1	1	112	D39 P40 W41 D68 T69 V70 M87	D39-R93 IonicContact OD1-NH1 3.42Å; D39-R93 PolarHBondContact OD1-NH1 3.35Å; D39-R93 IonicContact OD2-CZ 3.23Å; D39-R93 IonicContact OD2-NH1 2.78Å; D39-R93 PolarHBondContact OD2-NH1 2.99Å; P40-R93 HydrophobicContact CG-CB 4.13Å; W41-R93 HydrophobicContact CZ2-CB 4.41Å; W41-R93 HydrophobicContact CZ2-CG 4.4Å; D68-R93 PolarHBondContact O-N 3.03Å; T69-R93 CarbonylContact C-O 3.58Å; T69-R93 WeakPolarHBondContact CA-O 3.41Å; T69-R93 HydrophobicContact CG2-CB 4.41Å; V70-R93 PolarHBondContact N-O 2.89Å; M87-R93 WeakPolarHBondContact CE-O 3.43Å
94	L	94.9	Very high	93.9	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.2	168.4	178.7	66.1	0	0	0	109.8	W41 V70 I72 P78 M87 E269 I272	W41-L94 PolarHBondContact NE1-O 3Å; V70-L94 HydrophobicContact CB-CD1 4.49Å; V70-L94 HydrophobicContact CG1-CD1 4.43Å; I72-L94 HydrophobicContact CD1-CD1 4.24Å; I72-L94 HydrophobicContact CG1-CD1 4.24Å; I72-L94 HydrophobicContact CG2-CD1 3.88Å; P78-L94 HydrophobicContact CB-CD1 4.31Å; P78-L94 HydrophobicContact CB-CD2 3.66Å; P78-L94 HydrophobicContact CG-CD2 4.2Å; M87-L94 HydrophobicContact CE-CB 3.74Å; M87-L94 HydrophobicContact CE-CD1 4.04Å; M87-L94 HydrophobicContact CE-CG 4.43Å; L94-E269 HydrophobicContact CB-CG 4.28Å; L94-E269 PolarHBondContact N-OE1 3.07Å; L94-I272 HydrophobicContact CD2-CB 4.36Å; L94-I272 HydrophobicContact CD2-CD1 3.87Å; L94-I272 HydrophobicContact CD2-CG2 3.66Å
95	A	95.9	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.5	176.6	0	0	0	0	0	111.2	P40 L44 T69 V70 V71 I72	P40-A95 HydrophobicContact CB-CB 3.86Å; P40-A95 HydrophobicContact CG-CB 4.27Å; L44-A95 HydrophobicContact CD1-CB 3.82Å; T69-A95 HydrophobicContact CG2-CB 4.06Å; V70-A95 PolarHBondContact O-N 3.29Å; V71-A95 CarbonylContact C-O 3.57Å; V71-A95 VanDerWaalsContact CA-O 3.26Å; V71-A95 WeakPolarHBondContact CA-O 3.23Å; V71-A95 HydrophobicContact CG2-CB 4.36Å; I72-A95 PolarHBondContact N-O 2.87Å
96	R	94.9	Very high	94.9	Very high	46 Å²	46	41.3 Å²	41.3	17%	0.174	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.3	172.4	-178.4	-178.1	-60.5	-77.4	-1.4	109	I72 G73 R74 Q76 L265	I72-R96 HydrophobicContact CD1-CB 4.43Å; I72-R96 VanDerWaalsContact CD1-CZ 3.48Å; I72-R96 HydrophobicContact CG1-CB 4.06Å; I72-R96 HydrophobicContact CG1-CG 4.28Å; G73-R96 PolarHBondContact O-NH1 3.36Å; R74-R96 PolarHBondContact O-NH1 2.93Å; Q76-R96 PolarHBondContact O-NH1 2.95Å; Q76-R96 PolarHBondContact O-NH2 3.21Å; R96-L265 WeakPolarHBondContact O-CD2 3.39Å
97	R	96.7	Very high	95.3	Very high	16 Å²	16	37.8 Å²	37.8	6%	0.06	21%	0.208	C	C	.	.			trans	-83.1	158.9	177.1	70.9	-170.3	179.6	-95.8	-3.1	111.9	L44 V71 I72 R74 S99 G100 G102	L44-R97 HydrophobicContact CD1-CB 4.33Å; L44-R97 HydrophobicContact CD2-CB 3.83Å; V71-R97 HydrophobicContact CG1-CB 3.95Å; V71-R97 HydrophobicContact CG1-CG 4.13Å; V71-R97 PolarHBondContact O-NH1 2.79Å; I72-R97 VanDerWaalsContact C-NH1 3.27Å; I72-R97 WeakPolarHBondContact O-CG 3.31Å; I72-R97 PolarHBondContact O-N 3.47Å; R74-R97 WeakPolarHBondContact CA-O 3.2Å; R74-R97 PolarHBondContact N-O 2.78Å; R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 WeakPolarHBondContact CD-OG 3.43Å; R97-S99 WeakPolarHBondContact CG-OG 3.37Å; R97-S99 PolarHBondContact NE-OG 3.44Å; R97-S99 PolarHBondContact O-N 3.23Å; R97-G100 PolarHBondContact NE-O 3.14Å; R97-G100 PolarHBondContact NH2-O 3.09Å; R97-G102 PolarHBondContact NH1-O 2.86Å; R97-G102 PolarHBondContact NH2-O 2.87Å
98	S	95.6	Very high	95.5	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.203	23%	0.226	C	C	.	.	S	Bend	trans	-77.4	-17.2	-178.4	82.7	0	0	0	0	113.7	E48 R167	E48-S98 PolarHBondContact OE2-OG 3.18Å; S98-R167 VanDerWaalsContact CB-NH1 3.3Å; S98-R167 VanDerWaalsContact OG-CD 3.27Å; S98-R167 WeakPolarHBondContact OG-CD 3.27Å; S98-R167 PolarHBondContact OG-NH1 2.64Å; S98-R167 VanDerWaalsContact OG-NH1 3.08Å
99	S	97.1	Very high	96	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	21%	0.207	C	C	.	.	S	Bend	trans	-82.2	168	174.5	72.6	0	0	0	0	113.2	R74 R97 A165 Y166 H176	R74-S99 WeakPolarHBondContact CB-O 3.44Å; R74-S99 PolarHBondContact N-O 3.42Å; R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 WeakPolarHBondContact CD-OG 3.43Å; R97-S99 WeakPolarHBondContact CG-OG 3.37Å; R97-S99 PolarHBondContact NE-OG 3.44Å; R97-S99 PolarHBondContact O-N 3.23Å; S99-A165 WeakPolarHBondContact OG-CB 3.37Å; S99-Y166 WeakPolarHBondContact CB-O 3.11Å; S99-H176 PolarHBondContact OG-CE1 2.87Å; S99-H176 PolarHBondContact OG-NE2 3.22Å
100	G	94	Very high	96.3	Very high	37 Å²	37	31.3 Å²	31.3	38%	0.381	18%	0.183	S	C	.	.			trans	-78.2	-164.8	175.2	0	0	0	0	0	113.8	R97 A165	R97-G100 PolarHBondContact NE-O 3.14Å; R97-G100 PolarHBondContact NH2-O 3.09Å; G100-A165 VanDerWaalsContact O-CB 3.28Å; G100-A165 WeakPolarHBondContact O-CB 3.26Å
101	G	92	Very high	96.4	Very high	23 Å²	23	27.8 Å²	27.8	24%	0.237	16%	0.164	C	C	.	.	S	Bend	trans	97.8	-169.8	173.3	0	0	0	0	0	115	Q76	Q76-G101 VanDerWaalsContact CD-O 3.28Å; Q76-G101 WeakPolarHBondContact CG-O 3.2Å; Q76-G101 PolarHBondContact OE1-O 2.92Å
102	G	93.7	Very high	96.6	Very high	22 Å²	22	21.1 Å²	21.1	23%	0.227	13%	0.128	C	C	.	.			trans	-90.7	-178.6	-174.3	0	0	0	0	0	114.8	Q76 R97	Q76-G102 PolarHBondContact OE1-O 2.97Å; R97-G102 PolarHBondContact NH1-O 2.86Å; R97-G102 PolarHBondContact NH2-O 2.87Å
103	A	96.4	Very high	96.8	Very high	11 Å²	11	20.7 Å²	20.7	9%	0.091	13%	0.126	C	C	.	.			trans	-83.7	135.7	174.8	0	0	0	0	0	109.8	V70 V71 I72 E81 L192 S206	V70-A103 HydrophobicContact CG1-CB 4.42Å; V71-A103 WeakPolarHBondContact O-CA 3.34Å; I72-A103 HydrophobicContact CG2-CB 3.9Å; E81-A103 HydrophobicContact CB-CB 4.05Å; A103-L192 HydrophobicContact CB-CD2 3.9Å; A103-S206 PolarHBondContact N-OG 3.02Å
104	V	98	Very high	97	Very high	35 Å²	35	16.3 Å²	16.3	21%	0.212	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.3	177.4	-65.5	0	0	0	0	109.6	V70 V71 H106	V70-V104 CarbonylContact C-O 3.48Å; V70-V104 WeakPolarHBondContact CA-O 3.46Å; V71-V104 HydrophobicContact CB-CG2 4.03Å; V71-V104 PolarHBondContact N-O 3.42Å; V71-V104 PolarHBondContact O-N 2.8Å; V104-H106 WeakPolarHBondContact CG2-NE2 3.38Å
105	F	98.5	Very high	97.2	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.8	176	174.2	-104.2	0	0	0	109.5	T69 V70 V92 D107 R187 L188 Y191 L192	T69-F105 CarbonylContact O-C 3.46Å; T69-F105 WeakPolarHBondContact O-CA 3.24Å; T69-F105 WeakPolarHBondContact O-CD2 3.33Å; V70-F105 HydrophobicContact CG2-CD2 4.11Å; V92-F105 HydrophobicContact CG1-CE2 4.17Å; F105-D107 HydrophobicContact CE1-CB 3.94Å; F105-D107 HydrophobicContact CZ-CB 4.08Å; F105-R187 HydrophobicContact CE1-CB 4.1Å; F105-R187 HydrophobicContact CZ-CB 4.09Å; F105-L188 HydrophobicContact CB-CB 4.04Å; F105-L188 HydrophobicContact CB-CD1 4.33Å; F105-L188 HydrophobicContact CB-CG 3.88Å; F105-L188 HydrophobicContact CD1-CB 3.78Å; F105-L188 HydrophobicContact CD1-CG 4.44Å; F105-L188 HydrophobicContact CG-CB 4.2Å; F105-Y191 AromaticContact CD2-CD2 3.74Å; F105-Y191 HydrophobicContact CD2-CD2 3.74Å; F105-Y191 AromaticContact CE2-CD2 3.46Å; F105-Y191 HydrophobicContact CE2-CD2 3.46Å; F105-Y191 VanDerWaalsContact CE2-CD2 3.46Å; F105-Y191 AromaticContact CE2-CE2 3.8Å; F105-Y191 HydrophobicContact CE2-CE2 3.8Å; F105-Y191 HydrophobicContact CZ-CD2 4.11Å; F105-Y191 HydrophobicContact CZ-CE2 4.15Å; F105-L192 HydrophobicContact CB-CD1 4.29Å; F105-L192 HydrophobicContact CB-CG 4.36Å
106	H	98.8	Very high	97.3	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.032	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.1	176.3	-60.2	173.3	0	0	0	109.3	N66 D68 T69 V71 V104 N110 T178	N66-H106 HydrophobicContact CB-CB 4.13Å; N66-H106 PolarHBondContact ND2-ND1 3.18Å; D68-H106 WeakPolarHBondContact CA-O 3.34Å; D68-H106 PolarHBondContact N-O 3.45Å; T69-H106 PolarHBondContact N-O 2.76Å; T69-H106 PolarHBondContact O-N 2.76Å; V71-H106 VanDerWaalsContact CG2-CE1 3.41Å; V71-H106 WeakPolarHBondContact CG2-CE1 3.16Å; V71-H106 WeakPolarHBondContact CG2-ND1 3.42Å; V104-H106 WeakPolarHBondContact CG2-NE2 3.38Å; H106-N110 PolarHBondContact CD2-ND2 3.1Å; H106-T178 WeakPolarHBondContact NE2-CG2 3.22Å
107	D	98.7	Very high	97.5	Very high	13 Å²	13	14.6 Å²	14.6	7%	0.07	10%	0.104	C	C	.	.			trans	-134.9	-171.5	159.8	59.6	18.1	0	0	0	107.8	N66 F105 G109 N110 A183 D184	N66-D107 CarbonylContact O-C 3.56Å; N66-D107 VanDerWaalsContact O-CA 3.28Å; N66-D107 WeakPolarHBondContact O-CA 3.48Å; F105-D107 HydrophobicContact CE1-CB 3.94Å; F105-D107 HydrophobicContact CZ-CB 4.08Å; D107-G109 PolarHBondContact O-N 2.88Å; D107-G109 WeakPolarHBondContact OD1-CA 3.19Å; D107-G109 PolarHBondContact OD1-N 2.87Å; D107-N110 WeakPolarHBondContact O-CB 3.43Å; D107-N110 PolarHBondContact O-N 3.33Å; D107-N110 PolarHBondContact OD1-N 2.71Å; D107-A183 WeakPolarHBondContact OD1-CA 3.47Å; D107-A183 WeakPolarHBondContact OD1-CB 3.44Å; D107-D184 PolarHBondContact OD2-N 3.35Å
108	L	98.8	Very high	97.6	Very high	76 Å²	76	14 Å²	14	40%	0.398	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.4	176.8	-58.3	-175.1	0	0	0	112.8	Y38 R65 N110	Y38-L108 HydrophobicContact CD1-CD2 3.56Å; Y38-L108 HydrophobicContact CD2-CD2 4.17Å; Y38-L108 HydrophobicContact CE1-CD2 3.87Å; Y38-L108 HydrophobicContact CE2-CD2 4.45Å; Y38-L108 HydrophobicContact CG-CD2 3.73Å; R65-L108 PolarHBondContact NH1-O 3.44Å; L108-N110 PolarHBondContact O-N 2.92Å
109	G	98.6	Very high	97.7	Very high	12 Å²	12	16.1 Å²	16.1	12%	0.124	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-3.7	171.2	0	0	0	0	0	114	D107 L181 N182 A183	D107-G109 PolarHBondContact O-N 2.88Å; D107-G109 WeakPolarHBondContact OD1-CA 3.19Å; D107-G109 PolarHBondContact OD1-N 2.87Å; G109-L181 WeakPolarHBondContact O-CA 3.25Å; G109-L181 WeakPolarHBondContact O-CB 3.5Å; G109-L181 PolarHBondContact O-N 2.9Å; G109-N182 PolarHBondContact O-N 2.8Å; G109-A183 PolarHBondContact O-N 3.35Å
110	N	98.8	Very high	97.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.2	177.6	175	91.9	0	0	0	111.4	R65 H106 D107 L108 C112 T178 L179	R65-N110 VanDerWaalsContact CD-O 3.23Å; R65-N110 WeakPolarHBondContact CD-O 3.41Å; R65-N110 WeakPolarHBondContact CG-O 3.48Å; H106-N110 PolarHBondContact CD2-ND2 3.1Å; D107-N110 WeakPolarHBondContact O-CB 3.43Å; D107-N110 PolarHBondContact O-N 3.33Å; D107-N110 PolarHBondContact OD1-N 2.71Å; L108-N110 PolarHBondContact O-N 2.92Å; N110-C112 PolarHBondContact ND2-SG 2.79Å; N110-T178 VanDerWaalsContact OD1-CB 3.26Å; N110-T178 WeakPolarHBondContact OD1-CB 3.32Å; N110-L179 WeakPolarHBondContact CA-O 3.49Å
111	T	98.9	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.1	173.2	-67.9	0	0	0	0	111.5	T178 L179 L181 H223 V226	T111-T178 CarbonylContact O-C 3.59Å; T111-T178 VanDerWaalsContact O-CA 3.27Å; T111-T178 WeakPolarHBondContact O-CA 3.33Å; T111-L179 PolarHBondContact N-O 3.18Å; T111-L179 PolarHBondContact O-N 2.97Å; T111-L181 WeakPolarHBondContact OG1-CD1 3.35Å; T111-H223 PolarHBondContact OG1-ND1 3.2Å; T111-V226 HydrophobicContact CG2-CG1 4.13Å
112	C	98.9	Very high	98.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.3	171.5	-61	0	0	0	0	111.1	W64 N110 G177	W64-C112 HydrophobicContact CD2-CB 3.6Å; W64-C112 HydrophobicContact CE3-CB 4.13Å; W64-C112 HydrophobicContact CG-CB 3.91Å; W64-C112 HydrophobicContact CZ2-CB 4.05Å; W64-C112 PolarHBondContact N-O 2.84Å; W64-C112 WeakPolarHBondContact O-CA 3.5Å; W64-C112 VanDerWaalsContact O-CB 3.25Å; W64-C112 WeakPolarHBondContact O-CB 3.4Å; W64-C112 PolarHBondContact O-N 3.32Å; N110-C112 PolarHBondContact ND2-SG 2.79Å; C112-G177 WeakPolarHBondContact CA-O 3.41Å
113	F	98.9	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.4	169.7	58.3	-99.8	0	0	0	109.4	F62 L63 F115 V131 H175 H176 G177 L179 I230	F62-F113 CarbonylContact O-C 3.57Å; F62-F113 WeakPolarHBondContact O-CA 3.16Å; L63-F113 HydrophobicContact CD2-CB 3.99Å; F113-F115 HydrophobicContact CB-CE2 4.24Å; F113-F115 AromaticContact CD2-CD2 3.69Å; F113-F115 HydrophobicContact CD2-CD2 3.69Å; F113-F115 AromaticContact CD2-CE2 3.52Å; F113-F115 HydrophobicContact CD2-CE2 3.52Å; F113-F115 HydrophobicContact CE2-CD2 4.28Å; F113-F115 HydrophobicContact CE2-CE2 4.16Å; F113-F115 HydrophobicContact CG-CE2 4.07Å; F113-V131 HydrophobicContact CD1-CG2 4.24Å; F113-V131 HydrophobicContact CD2-CG2 4.14Å; F113-V131 HydrophobicContact CE1-CG1 4.09Å; F113-V131 HydrophobicContact CE1-CG2 4.01Å; F113-V131 HydrophobicContact CE2-CG2 3.92Å; F113-V131 HydrophobicContact CG-CG2 4.31Å; F113-V131 HydrophobicContact CZ-CG1 4.35Å; F113-V131 HydrophobicContact CZ-CG2 3.85Å; F113-H175 AromaticContact CE2-CE1 3.91Å; F113-H175 AromaticContact CE2-NE2 3.72Å; F113-H176 CarbonylContact O-C 3.54Å; F113-H176 WeakPolarHBondContact O-CA 3.45Å; F113-H176 WeakPolarHBondContact O-CB 3.07Å; F113-G177 VanDerWaalsContact CZ-CA 3.5Å; F113-G177 PolarHBondContact N-O 3.38Å; F113-G177 PolarHBondContact O-N 3.14Å; F113-L179 HydrophobicContact CD1-CD1 4.39Å; F113-L179 HydrophobicContact CD1-CG 4.35Å; F113-L179 HydrophobicContact CE1-CD1 4.45Å; F113-L179 HydrophobicContact CE1-CG 4.07Å; F113-I230 HydrophobicContact CB-CD1 4.45Å; F113-I230 HydrophobicContact CD1-CD1 4.36Å
114	T	98.9	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.6	170	-52.5	0	0	0	0	109.8	E47 L61 F62 W64 M116 F174 H175 H176	E47-T114 HydrophobicContact CG-CG2 4.06Å; E47-T114 WeakPolarHBondContact OE1-CB 3.45Å; E47-T114 WeakPolarHBondContact OE1-CG2 3.39Å; E47-T114 PolarHBondContact OE1-OG1 2.56Å; L61-T114 WeakPolarHBondContact CA-O 3.43Å; F62-T114 PolarHBondContact N-O 3.2Å; F62-T114 PolarHBondContact O-N 3.06Å; W64-T114 PolarHBondContact NE1-OG1 2.8Å; W64-T114 VanDerWaalsContact NE1-OG1 3.13Å; T114-M116 HydrophobicContact CG2-CE 3.61Å; T114-M116 HydrophobicContact CG2-CG 3.99Å; T114-F174 HydrophobicContact CG2-CB 4.15Å; T114-F174 HydrophobicContact CG2-CD2 4.13Å; T114-F174 HydrophobicContact CG2-CG 4.35Å; T114-H175 WeakPolarHBondContact CA-O 3.41Å; T114-H176 HydrophobicContact CG2-CB 3.94Å; T114-H176 VanDerWaalsContact OG1-CB 3.26Å; T114-H176 WeakPolarHBondContact OG1-CB 3.17Å
115	F	98.9	Very high	98.2	Very high	9 Å²	9	32 Å²	32	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.2	171.2	-65.4	-92	0	0	0	109.5	V60 L61 F113 I130 V131 F174 H175 I230 F234	V60-F115 CarbonylContact O-C 3.52Å; V60-F115 VanDerWaalsContact O-CA 3.32Å; V60-F115 WeakPolarHBondContact O-CA 3.2Å; L61-F115 HydrophobicContact CD1-CD1 4.12Å; L61-F115 HydrophobicContact CD1-CE1 3.77Å; L61-F115 HydrophobicContact CD1-CE2 4.23Å; L61-F115 HydrophobicContact CD1-CZ 3.83Å; F113-F115 HydrophobicContact CB-CE2 4.24Å; F113-F115 AromaticContact CD2-CD2 3.69Å; F113-F115 HydrophobicContact CD2-CD2 3.69Å; F113-F115 AromaticContact CD2-CE2 3.52Å; F113-F115 HydrophobicContact CD2-CE2 3.52Å; F113-F115 HydrophobicContact CE2-CD2 4.28Å; F113-F115 HydrophobicContact CE2-CE2 4.16Å; F113-F115 HydrophobicContact CG-CE2 4.07Å; F115-I130 HydrophobicContact CE1-CB 4.29Å; F115-I130 HydrophobicContact CE1-CD1 4.17Å; F115-I130 HydrophobicContact CE1-CG2 3.78Å; F115-I130 HydrophobicContact CZ-CB 4.25Å; F115-I130 HydrophobicContact CZ-CG2 3.73Å; F115-V131 HydrophobicContact CE2-CG2 3.6Å; F115-V131 HydrophobicContact CZ-CG2 4.02Å; F115-F174 CarbonylContact O-C 3.59Å; F115-F174 WeakPolarHBondContact O-CA 3.35Å; F115-F174 WeakPolarHBondContact O-CB 3.04Å; F115-H175 PolarHBondContact N-O 3.32Å; F115-H175 PolarHBondContact O-N 3.43Å; F115-I230 HydrophobicContact CE2-CG2 4.48Å; F115-I230 HydrophobicContact CZ-CG2 3.74Å; F115-F234 HydrophobicContact CD1-CD2 4.07Å; F115-F234 HydrophobicContact CD1-CE2 4.41Å; F115-F234 HydrophobicContact CE1-CB 4.4Å; F115-F234 AromaticContact CE1-CD2 3.86Å; F115-F234 HydrophobicContact CE1-CD2 3.86Å; F115-F234 HydrophobicContact CE1-CG 4.46Å
116	M	98.8	Very high	98.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.7	177.3	-42.5	-178.5	-177.6	0	0	110.2	E47 I50 F51 M54 R59 V60 T114 G173 F174	E47-M116 HydrophobicContact CB-CE 4.5Å; E47-M116 HydrophobicContact CG-CE 3.74Å; E47-M116 WeakPolarHBondContact O-CE 3.23Å; I50-M116 HydrophobicContact CB-CE 4.37Å; I50-M116 HydrophobicContact CB-SD 4.44Å; I50-M116 HydrophobicContact CG2-CE 4.21Å; I50-M116 HydrophobicContact CG2-SD 3.85Å; F51-M116 HydrophobicContact CB-CE 4.27Å; F51-M116 HydrophobicContact CB-SD 3.82Å; F51-M116 HydrophobicContact CD2-SD 4.19Å; M54-M116 HydrophobicContact CE-CB 4.45Å; M54-M116 HydrophobicContact SD-CB 3.56Å; M54-M116 VanDerWaalsContact SD-CB 3.56Å; R59-M116 CarbonylContact C-O 3.57Å; R59-M116 VanDerWaalsContact CA-O 3.28Å; R59-M116 WeakPolarHBondContact CA-O 3.25Å; V60-M116 HydrophobicContact CB-CB 4.01Å; V60-M116 HydrophobicContact CB-CG 4.17Å; V60-M116 HydrophobicContact CB-SD 4.31Å; V60-M116 HydrophobicContact CG1-SD 4.49Å; V60-M116 HydrophobicContact CG2-CB 4.45Å; V60-M116 PolarHBondContact N-O 2.79Å; V60-M116 PolarHBondContact O-N 2.72Å; T114-M116 HydrophobicContact CG2-CE 3.61Å; T114-M116 HydrophobicContact CG2-CG 3.99Å; M116-G173 WeakPolarHBondContact CA-O 3.07Å; M116-F174 HydrophobicContact CB-CB 4.26Å; M116-F174 HydrophobicContact CG-CB 3.82Å
117	A	98.5	Very high	98.2	Very high	7 Å²	7	33.8 Å²	33.8	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.4	173.8	0	0	0	0	0	111.6	R59 Y122 R172 G173	R59-A117 HydrophobicContact CG-CB 4.28Å; A117-Y122 HydrophobicContact CB-CD2 4.33Å; A117-R172 WeakPolarHBondContact O-CA 3.37Å; A117-G173 PolarHBondContact N-O 3.14Å; A117-G173 PolarHBondContact O-N 2.99Å
118	G	98.2	Very high	98.2	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	156.9	171.6	0	0	0	0	0	112.7	E121 Y122 D171	G118-E121 PolarHBondContact O-N 2.84Å; G118-Y122 PolarHBondContact O-N 2.89Å; G118-D171 CarbonylContact C-O 3.55Å
119	K	98.1	Very high	98.2	Very high	74 Å²	74	32.6 Å²	32.6	32%	0.322	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	145.2	170.4	-74.1	-178.4	174.2	-176.7	0	110	E168 T169 D171	K119-E168 WeakPolarHBondContact CE-OE2 3.11Å; K119-E168 IonicContact NZ-OE2 2.87Å; K119-E168 PolarHBondContact NZ-OE2 2.74Å; K119-T169 PolarHBondContact NZ-O 3.32Å; K119-D171 PolarHBondContact N-O 2.67Å
120	P	97.4	Very high	98.2	Very high	138 Å²	138	32 Å²	32	90%	0.896	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.6	0.1	13.9	35.4	-37.3	0	0	0	115.5
121	E	97.1	Very high	98.2	Very high	70 Å²	70	32 Å²	32	33%	0.327	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-32	-174.6	-178.1	-173.2	168.5	0	0	114.1	R59 G118 D123	R59-E121 IonicContact CZ-OE1 3.64Å; R59-E121 IonicContact CZ-OE2 2.68Å; R59-E121 VanDerWaalsContact CZ-OE2 3.3Å; R59-E121 VanDerWaalsContact NE-CD 3.33Å; R59-E121 IonicContact NE-OE1 2.88Å; R59-E121 PolarHBondContact NE-OE1 3.29Å; R59-E121 IonicContact NE-OE2 3.92Å; R59-E121 PolarHBondContact NE-OE2 3.42Å; R59-E121 VanDerWaalsContact NE-OE2 3.13Å; R59-E121 VanDerWaalsContact NH2-CD 3.29Å; R59-E121 IonicContact NH2-OE1 3.28Å; R59-E121 PolarHBondContact NH2-OE1 2.82Å; R59-E121 IonicContact NH2-OE2 3.61Å; R59-E121 PolarHBondContact NH2-OE2 2.96Å; G118-E121 PolarHBondContact O-N 2.84Å; E121-D123 PolarHBondContact O-N 2.74Å
122	Y	97.8	Very high	98.2	Very high	25 Å²	25	33.8 Å²	33.8	10%	0.098	19%	0.185	C	C	.	.			trans	-51.3	114.1	-178.6	171	-98	0	0	0	111.8	A117 G118 E168 G173 F174	A117-Y122 HydrophobicContact CB-CD2 4.33Å; G118-Y122 PolarHBondContact O-N 2.89Å; Y122-E168 HydrophobicContact CD1-CG 4.16Å; Y122-E168 HydrophobicContact CE1-CG 3.56Å; Y122-G173 VanDerWaalsContact CD2-C 3.46Å; Y122-G173 WeakPolarHBondContact CD2-O 3.47Å; Y122-F174 PolarHBondContact OH-O 2.89Å
123	D	97.1	Very high	98.1	Very high	70 Å²	70	38 Å²	38	37%	0.374	21%	0.208	S	C	.	.			trans	-135.7	123.5	170.5	-175.5	-4.8	0	0	0	109.5	E121 T125 I126	E121-D123 PolarHBondContact O-N 2.74Å; D123-T125 PolarHBondContact O-N 3.18Å; D123-T125 WeakPolarHBondContact OD1-CG2 3.46Å; D123-T125 PolarHBondContact OD1-N 3.06Å; D123-T125 PolarHBondContact OD1-OG1 2.85Å; D123-T125 VanDerWaalsContact OD1-OG1 3.1Å; D123-T125 PolarHBondContact OD2-OG1 3.06Å; D123-I126 HydrophobicContact CB-CD1 3.99Å; D123-I126 HydrophobicContact CB-CG1 4.17Å; D123-I126 WeakPolarHBondContact O-CB 3.26Å; D123-I126 PolarHBondContact O-N 2.92Å
124	K	96.2	Very high	98.1	Very high	78 Å²	78	38.1 Å²	38.1	34%	0.339	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-24.8	176.8	63.3	178	-179.7	176.6	0	113.2	I126 S127 T128 Y166	K124-I126 VanDerWaalsContact C-N 3.3Å; K124-S127 PolarHBondContact O-OG 2.87Å; K124-S127 VanDerWaalsContact O-OG 3.14Å; K124-T128 WeakPolarHBondContact O-CB 3.28Å; K124-T128 PolarHBondContact O-N 2.98Å; K124-T128 PolarHBondContact O-OG1 3.35Å; K124-Y166 HydrophobicContact CB-CD1 3.84Å; K124-Y166 HydrophobicContact CB-CE1 3.61Å; K124-Y166 HydrophobicContact CD-CD1 4.06Å; K124-Y166 HydrophobicContact CD-CD2 4.44Å; K124-Y166 HydrophobicContact CD-CE1 3.79Å; K124-Y166 HydrophobicContact CD-CE2 4.18Å; K124-Y166 HydrophobicContact CD-CG 4.39Å; K124-Y166 HydrophobicContact CG-CE1 4.29Å
125	T	97.1	Very high	98.1	Very high	82 Å²	82	38.2 Å²	38.2	50%	0.503	21%	0.209	S	C	.	.	H	α-helix	trans	-68	-34.1	-180	72	0	0	0	0	111.2	D123 T128 S129	D123-T125 PolarHBondContact O-N 3.18Å; D123-T125 WeakPolarHBondContact OD1-CG2 3.46Å; D123-T125 PolarHBondContact OD1-N 3.06Å; D123-T125 PolarHBondContact OD1-OG1 2.85Å; D123-T125 VanDerWaalsContact OD1-OG1 3.1Å; D123-T125 PolarHBondContact OD2-OG1 3.06Å; T125-T128 PolarHBondContact O-N 2.96Å; T125-S129 WeakPolarHBondContact O-CB 3.48Å; T125-S129 PolarHBondContact O-N 2.79Å
126	I	98.2	Very high	98.1	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.205	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-58.5	174.4	-69	173.2	0	0	0	110.4	D123 K124 T128 S129 I130 H237	D123-I126 HydrophobicContact CB-CD1 3.99Å; D123-I126 HydrophobicContact CB-CG1 4.17Å; D123-I126 WeakPolarHBondContact O-CB 3.26Å; D123-I126 PolarHBondContact O-N 2.92Å; K124-I126 VanDerWaalsContact C-N 3.3Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 2.82Å; I126-S129 WeakPolarHBondContact O-CB 3.43Å; I126-S129 PolarHBondContact O-N 2.79Å; I126-S129 PolarHBondContact O-OG 3.33Å; I126-I130 HydrophobicContact CG2-CD1 4Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 3.36Å; I126-H237 WeakPolarHBondContact CG2-NE2 2.97Å
127	S	98.2	Very high	98.1	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-34.4	-179.1	41	0	0	0	0	112.6	K124 I130 V131 H175	K124-S127 PolarHBondContact O-OG 2.87Å; K124-S127 VanDerWaalsContact O-OG 3.14Å; S127-I130 PolarHBondContact O-N 3.47Å; S127-V131 WeakPolarHBondContact O-CG2 3.36Å; S127-V131 PolarHBondContact O-N 3.02Å; S127-V131 VanDerWaalsContact O-N 3.15Å; S127-H175 WeakPolarHBondContact CB-ND1 3.27Å; S127-H175 PolarHBondContact OG-ND1 3.23Å
128	T	98.6	Very high	98.1	Very high	22 Å²	22	48.1 Å²	48.1	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-45	171.5	-56.3	0	0	0	0	111.4	K124 T125 I126 I130 V131 L132 A144 L150 H175	K124-T128 WeakPolarHBondContact O-CB 3.28Å; K124-T128 PolarHBondContact O-N 2.98Å; K124-T128 PolarHBondContact O-OG1 3.35Å; T125-T128 PolarHBondContact O-N 2.96Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 2.82Å; T128-I130 VanDerWaalsContact C-N 3.34Å; T128-I130 PolarHBondContact O-N 3.39Å; T128-V131 PolarHBondContact O-N 3.18Å; T128-L132 HydrophobicContact CG2-CD1 4.38Å; T128-L132 WeakPolarHBondContact O-CG 3.41Å; T128-L132 PolarHBondContact O-N 2.62Å; T128-A144 HydrophobicContact CG2-CB 4.25Å; T128-L150 HydrophobicContact CG2-CD2 3.94Å; T128-H175 PolarHBondContact OG1-CE1 2.94Å
129	S	98.4	Very high	98.1	Very high	41 Å²	41	51.1 Å²	51.1	29%	0.287	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-35.7	177.6	76.6	0	0	0	0	112.8	T125 I126 L132 N133	T125-S129 WeakPolarHBondContact O-CB 3.48Å; T125-S129 PolarHBondContact O-N 2.79Å; I126-S129 WeakPolarHBondContact O-CB 3.43Å; I126-S129 PolarHBondContact O-N 2.79Å; I126-S129 PolarHBondContact O-OG 3.33Å; S129-L132 PolarHBondContact O-N 2.81Å; S129-N133 WeakPolarHBondContact O-CB 3.33Å; S129-N133 PolarHBondContact O-N 2.85Å; S129-N133 PolarHBondContact O-ND2 2.96Å
130	I	98.8	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-46.1	175	-69	169.5	0	0	0	110.5	F115 I126 S127 T128 N133 A134 A233 F234 H237 Y238	F115-I130 HydrophobicContact CE1-CB 4.29Å; F115-I130 HydrophobicContact CE1-CD1 4.17Å; F115-I130 HydrophobicContact CE1-CG2 3.78Å; F115-I130 HydrophobicContact CZ-CB 4.25Å; F115-I130 HydrophobicContact CZ-CG2 3.73Å; I126-I130 HydrophobicContact CG2-CD1 4Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 3.36Å; S127-I130 PolarHBondContact O-N 3.47Å; T128-I130 VanDerWaalsContact C-N 3.34Å; T128-I130 PolarHBondContact O-N 3.39Å; I130-N133 PolarHBondContact O-N 3.12Å; I130-A134 WeakPolarHBondContact O-CB 3.18Å; I130-A134 PolarHBondContact O-N 3.48Å; I130-A233 HydrophobicContact CG2-CB 3.83Å; I130-A233 WeakPolarHBondContact O-CB 3.32Å; I130-F234 HydrophobicContact CD1-CD2 4.28Å; I130-F234 HydrophobicContact CG2-CB 4.14Å; I130-H237 HydrophobicContact CD1-CB 3.88Å; I130-H237 HydrophobicContact CG1-CB 3.93Å; I130-Y238 HydrophobicContact CD1-CE2 4.12Å
131	V	98.8	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-41.9	177.3	177.3	0	0	0	0	111.5	F113 F115 S127 T128 N133 A134 L135 L150 L179	F113-V131 HydrophobicContact CD1-CG2 4.24Å; F113-V131 HydrophobicContact CD2-CG2 4.14Å; F113-V131 HydrophobicContact CE1-CG1 4.09Å; F113-V131 HydrophobicContact CE1-CG2 4.01Å; F113-V131 HydrophobicContact CE2-CG2 3.92Å; F113-V131 HydrophobicContact CG-CG2 4.31Å; F113-V131 HydrophobicContact CZ-CG1 4.35Å; F113-V131 HydrophobicContact CZ-CG2 3.85Å; F115-V131 HydrophobicContact CE2-CG2 3.6Å; F115-V131 HydrophobicContact CZ-CG2 4.02Å; S127-V131 WeakPolarHBondContact O-CG2 3.36Å; S127-V131 PolarHBondContact O-N 3.02Å; S127-V131 VanDerWaalsContact O-N 3.15Å; T128-V131 PolarHBondContact O-N 3.18Å; V131-N133 VanDerWaalsContact C-N 3.34Å; V131-N133 PolarHBondContact O-N 2.84Å; V131-A134 WeakPolarHBondContact O-CB 3.47Å; V131-A134 PolarHBondContact O-N 3.13Å; V131-L135 HydrophobicContact CG1-CD1 4.4Å; V131-L135 WeakPolarHBondContact O-CG 3.16Å; V131-L135 PolarHBondContact O-N 3.11Å; V131-L150 HydrophobicContact CB-CD1 4.38Å; V131-L150 HydrophobicContact CG1-CD1 3.67Å; V131-L179 HydrophobicContact CG1-CD1 4.35Å; V131-L179 HydrophobicContact CG1-CD2 4.31Å
132	L	98.7	Very high	98.1	Very high	38 Å²	38	43.4 Å²	43.4	20%	0.199	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-40.9	175.4	-71.4	175	0	0	0	112.1	T128 S129 L135 N136 A142 A144 L150	T128-L132 HydrophobicContact CG2-CD1 4.38Å; T128-L132 WeakPolarHBondContact O-CG 3.41Å; T128-L132 PolarHBondContact O-N 2.62Å; S129-L132 PolarHBondContact O-N 2.81Å; L132-L135 PolarHBondContact O-N 3.04Å; L132-N136 WeakPolarHBondContact O-CB 3.25Å; L132-N136 PolarHBondContact O-N 3.07Å; L132-A142 HydrophobicContact CD2-CB 3.85Å; L132-A142 WeakPolarHBondContact CD2-O 3.45Å; L132-A144 HydrophobicContact CD1-CB 4.49Å; L132-L150 HydrophobicContact CD2-CD1 4.14Å; L132-L150 HydrophobicContact CD2-CD2 3.99Å; L132-L150 HydrophobicContact CG-CD2 4.31Å
133	N	98.7	Very high	98.1	Very high	91 Å²	91	46.2 Å²	46.2	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-64.8	-39.9	175.8	-71.9	-21.7	0	0	0	111.8	S129 I130 V131 N136 A137 A233	S129-N133 WeakPolarHBondContact O-CB 3.33Å; S129-N133 PolarHBondContact O-N 2.85Å; S129-N133 PolarHBondContact O-ND2 2.96Å; I130-N133 PolarHBondContact O-N 3.12Å; V131-N133 VanDerWaalsContact C-N 3.34Å; V131-N133 PolarHBondContact O-N 2.84Å; N133-N136 PolarHBondContact O-N 3.2Å; N133-A137 WeakPolarHBondContact O-CB 3.34Å; N133-A137 PolarHBondContact O-N 3.39Å; N133-A233 HydrophobicContact CB-CB 4.24Å
134	A	98.8	Very high	98.2	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-46.2	174.6	0	0	0	0	0	112	I130 V131 N136 A137 L138 A229 I230 A233	I130-A134 WeakPolarHBondContact O-CB 3.18Å; I130-A134 PolarHBondContact O-N 3.48Å; V131-A134 WeakPolarHBondContact O-CB 3.47Å; V131-A134 PolarHBondContact O-N 3.13Å; A134-N136 VanDerWaalsContact C-N 3.34Å; A134-N136 PolarHBondContact O-N 3.35Å; A134-A137 PolarHBondContact O-N 3.45Å; A134-L138 PolarHBondContact O-N 2.68Å; A134-A229 VanDerWaalsContact CB-C 3.46Å; A134-A229 HydrophobicContact CB-CB 4.02Å; A134-A229 WeakPolarHBondContact CB-O 3.46Å; A134-I230 HydrophobicContact CB-CB 4.32Å; A134-I230 HydrophobicContact CB-CG1 3.75Å; A134-A233 HydrophobicContact CB-CB 4.02Å
135	L	98.7	Very high	98.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-43.8	174.8	-69.5	175.5	0	0	0	111.4	V131 L132 A137 L138 G139 V140 A142 L150 L179 L214	V131-L135 HydrophobicContact CG1-CD1 4.4Å; V131-L135 WeakPolarHBondContact O-CG 3.16Å; V131-L135 PolarHBondContact O-N 3.11Å; L132-L135 PolarHBondContact O-N 3.04Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.24Å; L135-L138 CarbonylContact O-C 3.55Å; L135-L138 WeakPolarHBondContact O-CB 3.21Å; L135-L138 PolarHBondContact O-N 2.6Å; L135-L138 VanDerWaalsContact O-N 3.11Å; L135-G139 PolarHBondContact O-N 3.25Å; L135-V140 CarbonylContact C-O 3.14Å; L135-V140 HydrophobicContact CB-CB 4.21Å; L135-V140 HydrophobicContact CB-CG1 4.44Å; L135-V140 WeakPolarHBondContact O-CA 3.23Å; L135-V140 PolarHBondContact O-N 2.89Å; L135-A142 HydrophobicContact CD1-CB 3.81Å; L135-L150 HydrophobicContact CD1-CD1 4.33Å; L135-L179 HydrophobicContact CD1-CD2 4.16Å; L135-L179 HydrophobicContact CD2-CD1 4.46Å; L135-L179 HydrophobicContact CD2-CD2 4.25Å; L135-L214 HydrophobicContact CD2-CD1 3.61Å
136	N	98.5	Very high	97.9	Very high	105 Å²	105	44.7 Å²	44.7	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-62.7	-38.2	177.2	-175.8	73.8	0	0	0	112.2	L132 N133 A134 L138 G139 V140	L132-N136 WeakPolarHBondContact O-CB 3.25Å; L132-N136 PolarHBondContact O-N 3.07Å; N133-N136 PolarHBondContact O-N 3.2Å; A134-N136 VanDerWaalsContact C-N 3.34Å; A134-N136 PolarHBondContact O-N 3.35Å; N136-L138 PolarHBondContact O-N 3.37Å; N136-G139 PolarHBondContact O-N 2.78Å; N136-V140 WeakPolarHBondContact CA-O 3.49Å; N136-V140 PolarHBondContact N-O 3.04Å
137	A	98.4	Very high	97.5	Very high	82 Å²	82	52.8 Å²	52.8	68%	0.678	34%	0.338	S	S	*	.	H	α-helix	trans	-63.6	-29.6	175	0	0	0	0	0	112.8	N133 A134 L135 G139	N133-A137 WeakPolarHBondContact O-CB 3.34Å; N133-A137 PolarHBondContact O-N 3.39Å; A134-A137 PolarHBondContact O-N 3.45Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.24Å; A137-G139 VanDerWaalsContact C-N 3.27Å
138	L	98.3	Very high	97.3	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.209	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.1	171.8	-66.3	172	0	0	0	113.4	A134 L135 N136 L218 I221 Q225 V226 A229	A134-L138 PolarHBondContact O-N 2.68Å; L135-L138 CarbonylContact O-C 3.55Å; L135-L138 WeakPolarHBondContact O-CB 3.21Å; L135-L138 PolarHBondContact O-N 2.6Å; L135-L138 VanDerWaalsContact O-N 3.11Å; N136-L138 PolarHBondContact O-N 3.37Å; L138-L218 HydrophobicContact CB-CD2 4.14Å; L138-L218 WeakPolarHBondContact O-CD2 3.36Å; L138-I221 HydrophobicContact CD1-CD1 4.31Å; L138-Q225 HydrophobicContact CD2-CB 4.47Å; L138-V226 HydrophobicContact CD1-CG2 3.95Å; L138-A229 HydrophobicContact CD1-CB 3.71Å; L138-A229 HydrophobicContact CD2-CB 4.06Å; L138-A229 HydrophobicContact CG-CB 3.69Å
139	G	97.6	Very high	97.3	Very high	66 Å²	66	55.3 Å²	55.3	68%	0.68	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	11.3	-177.8	0	0	0	0	0	114.8	L135 N136 A137	L135-G139 PolarHBondContact O-N 3.25Å; N136-G139 PolarHBondContact O-N 2.78Å; A137-G139 VanDerWaalsContact C-N 3.27Å
140	V	98	Very high	97.3	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	34%	0.337	C	S	.	.			trans	-98.9	113.5	176.5	178.3	0	0	0	0	110.2	L135 N136 A142 V152 L214 L217 L218	L135-V140 CarbonylContact C-O 3.14Å; L135-V140 HydrophobicContact CB-CB 4.21Å; L135-V140 HydrophobicContact CB-CG1 4.44Å; L135-V140 WeakPolarHBondContact O-CA 3.23Å; L135-V140 PolarHBondContact O-N 2.89Å; N136-V140 WeakPolarHBondContact CA-O 3.49Å; N136-V140 PolarHBondContact N-O 3.04Å; V140-A142 PolarHBondContact O-N 3.23Å; V140-V152 HydrophobicContact CG1-CG1 3.99Å; V140-L214 HydrophobicContact CG1-CD2 3.76Å; V140-L214 HydrophobicContact CG2-CD2 4.47Å; V140-L217 HydrophobicContact CG1-CD2 4.24Å; V140-L218 HydrophobicContact CG2-CB 4.25Å
141	S	97.7	Very high	97.3	Very high	96 Å²	96	54 Å²	54	67%	0.671	34%	0.34	S	S	*	.			trans	-84.9	109.8	171.3	-170.4	0	0	0	0	110.5
142	A	98.3	Very high	97.2	Very high	20 Å²	20	54.1 Å²	54.1	17%	0.165	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.9	175.3	0	0	0	0	0	110.7	L132 L135 V140 V151 V152	L132-A142 HydrophobicContact CD2-CB 3.85Å; L132-A142 WeakPolarHBondContact CD2-O 3.45Å; L135-A142 HydrophobicContact CD1-CB 3.81Å; V140-A142 PolarHBondContact O-N 3.23Å; A142-V151 CarbonylContact C-O 3.57Å; A142-V151 VanDerWaalsContact CA-O 3.28Å; A142-V151 WeakPolarHBondContact CA-O 3.38Å; A142-V152 HydrophobicContact CB-CG1 3.86Å
143	E	98	Very high	97.1	Very high	84 Å²	84	59.2 Å²	59.2	39%	0.393	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.5	175.3	63.6	-168.7	171.1	0	0	111.2	S145 L150 V151	E143-S145 PolarHBondContact O-N 2.68Å; E143-L150 WeakPolarHBondContact O-CA 3.49Å; E143-V151 HydrophobicContact CG-CG2 3.57Å; E143-V151 PolarHBondContact N-O 3.32Å; E143-V151 PolarHBondContact O-N 2.95Å
144	A	97.7	Very high	97	Very high	64 Å²	64	57 Å²	57	53%	0.529	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.9	171.3	0	0	0	0	0	109.6	T128 L132 L150	T128-A144 HydrophobicContact CG2-CB 4.25Å; L132-A144 HydrophobicContact CD1-CB 4.49Å; A144-L150 HydrophobicContact CB-CD2 4.08Å
145	S	96	Very high	96.8	Very high	53 Å²	53	62.3 Å²	62.3	37%	0.371	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.6	179.7	-173.3	0	0	0	0	111	E143 R147 D149	E143-S145 PolarHBondContact O-N 2.68Å; S145-R147 PolarHBondContact O-N 3.05Å; S145-D149 PolarHBondContact N-O 2.7Å; S145-D149 WeakPolarHBondContact O-CB 3.35Å; S145-D149 PolarHBondContact O-N 3.22Å
146	G	92.3	Very high	96.6	Very high	81 Å²	81	69 Å²	69	84%	0.835	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-131.5	-176.1	0	0	0	0	0	112
147	R	90.2	Very high	96.5	Very high	211 Å²	211	65.4 Å²	65.4	80%	0.796	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-25.4	-175	-72.2	-174.8	-78	160.8	-5.5	114.5	S145 Y166	S145-R147 PolarHBondContact O-N 3.05Å; R147-Y166 PolarHBondContact O-OH 2.93Å
148	N	93.2	Very high	96.4	Very high	51 Å²	51	65.2 Å²	65.2	27%	0.273	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	-6.3	-160.5	-65.6	18.8	0	0	0	113.5	S164 Y166	N148-S164 WeakPolarHBondContact CB-O 3.41Å; N148-S164 PolarHBondContact ND2-O 3.24Å; N148-S164 WeakPolarHBondContact O-CB 3.43Å; N148-S164 PolarHBondContact O-N 2.74Å; N148-Y166 WeakPolarHBondContact OD1-CE2 3.21Å
149	D	97.5	Very high	96.4	Very high	30 Å²	30	64.3 Å²	64.3	16%	0.16	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146	-168.1	-66.2	-3.1	0	0	0	110.2	S145 K160 S162	S145-D149 PolarHBondContact N-O 2.7Å; S145-D149 WeakPolarHBondContact O-CB 3.35Å; S145-D149 PolarHBondContact O-N 3.22Å; D149-K160 HydrophobicContact CB-CD 4.25Å; D149-K160 HydrophobicContact CB-CG 4.33Å; D149-K160 VanDerWaalsContact CG-CE 3.43Å; D149-K160 VanDerWaalsContact OD1-CE 3.23Å; D149-K160 WeakPolarHBondContact OD1-CE 3.41Å; D149-K160 IonicContact OD1-NZ 2.75Å; D149-K160 PolarHBondContact OD1-NZ 3.36Å; D149-K160 WeakPolarHBondContact OD2-CD 3.23Å; D149-K160 IonicContact OD2-NZ 3.22Å; D149-K160 PolarHBondContact OD2-NZ 3.29Å; D149-S162 WeakPolarHBondContact CA-O 3.42Å
150	L	98.5	Very high	96.4	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.3	160.5	-48.3	179.6	0	0	0	108.7	T128 V131 L132 L135 E143 A144 K160 V161 S162	T128-L150 HydrophobicContact CG2-CD2 3.94Å; V131-L150 HydrophobicContact CB-CD1 4.38Å; V131-L150 HydrophobicContact CG1-CD1 3.67Å; L132-L150 HydrophobicContact CD2-CD1 4.14Å; L132-L150 HydrophobicContact CD2-CD2 3.99Å; L132-L150 HydrophobicContact CG-CD2 4.31Å; L135-L150 HydrophobicContact CD1-CD1 4.33Å; E143-L150 WeakPolarHBondContact O-CA 3.49Å; A144-L150 HydrophobicContact CB-CD2 4.08Å; L150-K160 WeakPolarHBondContact O-CA 3.34Å; L150-V161 HydrophobicContact CB-CG2 4.41Å; L150-V161 PolarHBondContact O-N 3.04Å; L150-S162 PolarHBondContact N-O 3.05Å; L150-S162 VanDerWaalsContact N-O 3.1Å; L150-S162 PolarHBondContact O-N 2.87Å
151	V	98.5	Very high	96.5	Very high	10 Å²	10	62.7 Å²	62.7	6%	0.061	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.5	-178.2	-57.7	0	0	0	0	111.1	A142 E143 D158 R159 K160	A142-V151 CarbonylContact C-O 3.57Å; A142-V151 VanDerWaalsContact CA-O 3.28Å; A142-V151 WeakPolarHBondContact CA-O 3.38Å; E143-V151 HydrophobicContact CG-CG2 3.57Å; E143-V151 PolarHBondContact N-O 3.32Å; E143-V151 PolarHBondContact O-N 2.95Å; V151-D158 HydrophobicContact CB-CB 4.41Å; V151-D158 HydrophobicContact CG2-CB 4.43Å; V151-R159 CarbonylContact C-O 3.57Å; V151-R159 WeakPolarHBondContact CA-O 3.39Å; V151-K160 HydrophobicContact CG1-CB 4.39Å
152	V	98.3	Very high	96.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.9	171.4	-59.9	0	0	0	0	109.4	V140 A142 T154 D158 R159 V161 T212 L214 L217	V140-V152 HydrophobicContact CG1-CG1 3.99Å; A142-V152 HydrophobicContact CB-CG1 3.86Å; V152-T154 HydrophobicContact CG2-CG2 4.23Å; V152-D158 WeakPolarHBondContact O-CA 3.43Å; V152-R159 PolarHBondContact N-O 2.87Å; V152-R159 PolarHBondContact O-N 3.38Å; V152-V161 HydrophobicContact CB-CG1 4.44Å; V152-V161 HydrophobicContact CG1-CG1 3.99Å; V152-V161 HydrophobicContact CG1-CG2 3.93Å; V152-V161 HydrophobicContact CG2-CG1 3.65Å; V152-T212 HydrophobicContact CG2-CG2 3.85Å; V152-L214 HydrophobicContact CG1-CD2 4.4Å; V152-L217 HydrophobicContact CB-CD2 3.78Å; V152-L217 HydrophobicContact CG1-CD2 4.07Å; V152-L217 HydrophobicContact CG2-CD1 3.86Å; V152-L217 HydrophobicContact CG2-CD2 3.91Å
153	K	97	Very high	96.5	Very high	146 Å²	146	57.7 Å²	57.7	64%	0.635	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.4	175.7	-60.9	-170	179.5	-173.4	0	109.7
154	T	95.4	Very high	96.5	Very high	43 Å²	43	54.3 Å²	54.3	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	168.3	173.8	75.9	0	0	0	0	109.6	V152 E156 G157 R159 T212	V152-T154 HydrophobicContact CG2-CG2 4.23Å; T154-E156 PolarHBondContact O-N 2.78Å; T154-E156 VanDerWaalsContact O-N 3.09Å; T154-E156 PolarHBondContact OG1-N 2.59Å; T154-G157 PolarHBondContact N-O 3.03Å; T154-G157 PolarHBondContact O-N 2.77Å; T154-G157 PolarHBondContact OG1-O 3.28Å; T154-R159 HydrophobicContact CG2-CB 4.03Å; T154-R159 HydrophobicContact CG2-CG 3.67Å; T154-T212 HydrophobicContact CG2-CG2 4.43Å
155	A	94.7	Very high	96.5	Very high	116 Å²	116	51.4 Å²	51.4	96%	0.959	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.5	175.8	0	0	0	0	0	113.1
156	E	93.9	Very high	96.6	Very high	141 Å²	141	50.9 Å²	50.9	66%	0.659	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	16.2	179.4	-54.5	-179.1	170.7	0	0	113.4	T154 R159	T154-E156 PolarHBondContact O-N 2.78Å; T154-E156 VanDerWaalsContact O-N 3.09Å; T154-E156 PolarHBondContact OG1-N 2.59Å; E156-R159 PolarHBondContact O-NH1 3.01Å; E156-R159 PolarHBondContact O-NH2 3.17Å; E156-R159 IonicContact OE2-CZ 2.95Å; E156-R159 IonicContact OE2-NE 3.32Å; E156-R159 IonicContact OE2-NH2 3.23Å; E156-R159 PolarHBondContact OE2-NH2 2.92Å
157	G	95.9	Very high	96.9	Very high	30 Å²	30	48.4 Å²	48.4	31%	0.309	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.4	-171.3	-175.9	0	0	0	0	0	113.8	T154 R159	T154-G157 PolarHBondContact N-O 3.03Å; T154-G157 PolarHBondContact O-N 2.77Å; T154-G157 PolarHBondContact OG1-O 3.28Å; G157-R159 PolarHBondContact O-NH1 2.88Å
158	D	97.4	Very high	97.2	Very high	79 Å²	79	43.5 Å²	43.5	42%	0.422	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.8	-172.7	-54.2	-14.9	0	0	0	112	V151 V152	V151-D158 HydrophobicContact CB-CB 4.41Å; V151-D158 HydrophobicContact CG2-CB 4.43Å; V152-D158 WeakPolarHBondContact O-CA 3.43Å
159	R	98.1	Very high	97.4	Very high	20 Å²	20	43.4 Å²	43.4	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.6	177.9	-66.5	-65.9	-179.1	-79.4	2.1	110.1	V151 V152 T154 E156 G157 R210 T212	V151-R159 CarbonylContact C-O 3.57Å; V151-R159 WeakPolarHBondContact CA-O 3.39Å; V152-R159 PolarHBondContact N-O 2.87Å; V152-R159 PolarHBondContact O-N 3.38Å; T154-R159 HydrophobicContact CG2-CB 4.03Å; T154-R159 HydrophobicContact CG2-CG 3.67Å; E156-R159 PolarHBondContact O-NH1 3.01Å; E156-R159 PolarHBondContact O-NH2 3.17Å; E156-R159 IonicContact OE2-CZ 2.95Å; E156-R159 IonicContact OE2-NE 3.32Å; E156-R159 IonicContact OE2-NH2 3.23Å; E156-R159 PolarHBondContact OE2-NH2 2.92Å; G157-R159 PolarHBondContact O-NH1 2.88Å; R159-R210 VanDerWaalsContact NH1-CZ 3.26Å; R159-T212 HydrophobicContact CB-CG2 3.46Å; R159-T212 VanDerWaalsContact CB-CG2 3.46Å; R159-T212 HydrophobicContact CG-CG2 4.17Å
160	K	98.4	Very high	97.4	Very high	35 Å²	35	51.8 Å²	51.8	15%	0.152	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.4	176.4	176.9	-178.3	-178.8	162.5	0	110.5	D149 L150 V151 S162 G163 R210 V211 T212	D149-K160 HydrophobicContact CB-CD 4.25Å; D149-K160 HydrophobicContact CB-CG 4.33Å; D149-K160 VanDerWaalsContact CG-CE 3.43Å; D149-K160 VanDerWaalsContact OD1-CE 3.23Å; D149-K160 WeakPolarHBondContact OD1-CE 3.41Å; D149-K160 IonicContact OD1-NZ 2.75Å; D149-K160 PolarHBondContact OD1-NZ 3.36Å; D149-K160 WeakPolarHBondContact OD2-CD 3.23Å; D149-K160 IonicContact OD2-NZ 3.22Å; D149-K160 PolarHBondContact OD2-NZ 3.29Å; L150-K160 WeakPolarHBondContact O-CA 3.34Å; V151-K160 HydrophobicContact CG1-CB 4.39Å; K160-S162 WeakPolarHBondContact CE-O 3.42Å; K160-S162 WeakPolarHBondContact CG-O 3.38Å; K160-G163 VanDerWaalsContact CE-CA 3.49Å; K160-R210 PolarHBondContact N-O 3.23Å; K160-V211 HydrophobicContact CB-CG1 4.13Å; K160-V211 HydrophobicContact CD-CG1 4.33Å; K160-V211 HydrophobicContact CG-CG1 4.36Å; K160-V211 CarbonylContact O-C 3.12Å; K160-V211 WeakPolarHBondContact O-CA 3.3Å; K160-V211 WeakPolarHBondContact O-CB 3.29Å; K160-T212 PolarHBondContact O-N 3.42Å
161	V	98.5	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-14.8	175.7	-62.8	0	0	0	0	112.4	L150 V152 L179 L180 T212 L214	L150-V161 HydrophobicContact CB-CG2 4.41Å; L150-V161 PolarHBondContact O-N 3.04Å; V152-V161 HydrophobicContact CB-CG1 4.44Å; V152-V161 HydrophobicContact CG1-CG1 3.99Å; V152-V161 HydrophobicContact CG1-CG2 3.93Å; V152-V161 HydrophobicContact CG2-CG1 3.65Å; V161-L179 WeakPolarHBondContact O-CA 3.07Å; V161-L180 PolarHBondContact O-N 3.48Å; V161-T212 HydrophobicContact CG1-CG2 3.71Å; V161-L214 HydrophobicContact CB-CD2 4.05Å; V161-L214 HydrophobicContact CB-CG 4.33Å; V161-L214 HydrophobicContact CG1-CD2 3.89Å; V161-L214 HydrophobicContact CG1-CG 4.43Å; V161-L214 HydrophobicContact CG2-CD2 4.2Å
162	S	98.6	Very high	97.4	Very high	1 Å²	1	56 Å²	56	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.8	-179.8	-175.4	0	0	0	0	111.2	D149 L150 K160 T178	D149-S162 WeakPolarHBondContact CA-O 3.42Å; L150-S162 PolarHBondContact N-O 3.05Å; L150-S162 VanDerWaalsContact N-O 3.1Å; L150-S162 PolarHBondContact O-N 2.87Å; K160-S162 WeakPolarHBondContact CE-O 3.42Å; K160-S162 WeakPolarHBondContact CG-O 3.38Å; S162-T178 WeakPolarHBondContact CA-O 3.17Å; S162-T178 WeakPolarHBondContact CB-O 3.29Å; S162-T178 PolarHBondContact OG-O 2.79Å
163	G	97.8	Very high	97.4	Very high	11 Å²	11	55.9 Å²	55.9	11%	0.113	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.1	166.5	0	0	0	0	0	111.4	K160 G177 T178	K160-G163 VanDerWaalsContact CE-CA 3.49Å; G163-G177 VanDerWaalsContact O-CA 3.28Å; G163-G177 WeakPolarHBondContact O-CA 3.28Å; G163-T178 PolarHBondContact N-OG1 3.25Å; G163-T178 PolarHBondContact O-N 3.33Å
164	S	98.4	Very high	97.4	Very high	12 Å²	12	49 Å²	49	8%	0.084	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	154.8	-178.2	-64.3	0	0	0	0	113.4	N148 H175 H176	N148-S164 WeakPolarHBondContact CB-O 3.41Å; N148-S164 PolarHBondContact ND2-O 3.24Å; N148-S164 WeakPolarHBondContact O-CB 3.43Å; N148-S164 PolarHBondContact O-N 2.74Å; S164-H175 WeakPolarHBondContact CB-NE2 3.32Å; S164-H175 PolarHBondContact OG-NE2 3.29Å; S164-H176 CarbonylContact C-O 3.56Å; S164-H176 VanDerWaalsContact CA-O 3.29Å; S164-H176 WeakPolarHBondContact CA-O 3.43Å
165	A	98.1	Very high	97.6	Very high	4 Å²	4	47 Å²	47	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161	167	0	0	0	0	0	110.3	S99 G100 H176	S99-A165 WeakPolarHBondContact OG-CB 3.37Å; G100-A165 VanDerWaalsContact O-CB 3.28Å; G100-A165 WeakPolarHBondContact O-CB 3.26Å; A165-H176 PolarHBondContact N-O 3.07Å; A165-H176 PolarHBondContact O-CD2 3.01Å; A165-H176 VanDerWaalsContact O-CD2 3.29Å; A165-H176 PolarHBondContact O-N 3.28Å; A165-H176 VanDerWaalsContact O-O 3.07Å
166	Y	97.9	Very high	97.8	Very high	41 Å²	41	42 Å²	42	16%	0.161	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.7	-170.7	-44.8	-81.4	0	0	0	110.1	S99 K124 R147 N148 F174 H175	S99-Y166 WeakPolarHBondContact CB-O 3.11Å; K124-Y166 HydrophobicContact CB-CD1 3.84Å; K124-Y166 HydrophobicContact CB-CE1 3.61Å; K124-Y166 HydrophobicContact CD-CD1 4.06Å; K124-Y166 HydrophobicContact CD-CD2 4.44Å; K124-Y166 HydrophobicContact CD-CE1 3.79Å; K124-Y166 HydrophobicContact CD-CE2 4.18Å; K124-Y166 HydrophobicContact CD-CG 4.39Å; K124-Y166 HydrophobicContact CG-CE1 4.29Å; R147-Y166 PolarHBondContact O-OH 2.93Å; N148-Y166 WeakPolarHBondContact OD1-CE2 3.21Å; Y166-F174 WeakPolarHBondContact CA-O 3.22Å; Y166-H175 HydrophobicContact CD1-CB 3.72Å; Y166-H175 AromaticContact CD1-CD2 3.75Å; Y166-H175 AromaticContact CD1-CG 3.82Å; Y166-H175 HydrophobicContact CE1-CB 3.89Å; Y166-H175 AromaticContact CE1-CD2 3.23Å; Y166-H175 WeakPolarHBondContact CE1-CD2 3.39Å; Y166-H175 AromaticContact CE1-CG 3.47Å; Y166-H175 VanDerWaalsContact CE1-CG 3.47Å; Y166-H175 AromaticContact CE1-NE2 3.75Å
167	R	97.9	Very high	98	Very high	30 Å²	30	35.7 Å²	35.7	11%	0.113	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.4	167.3	-174.3	178.7	119	155	-0.9	109.6	E48 S98 G173 F174	E48-R167 VanDerWaalsContact CD-NH1 3.35Å; E48-R167 IonicContact OE1-CZ 3.13Å; E48-R167 IonicContact OE1-NH1 3.95Å; E48-R167 PolarHBondContact OE1-NH1 3.29Å; E48-R167 IonicContact OE1-NH2 3.32Å; E48-R167 PolarHBondContact OE1-NH2 2.81Å; E48-R167 IonicContact OE2-CZ 2.86Å; E48-R167 VanDerWaalsContact OE2-CZ 3.23Å; E48-R167 IonicContact OE2-NH1 2.75Å; E48-R167 PolarHBondContact OE2-NH1 3.31Å; E48-R167 IonicContact OE2-NH2 3.84Å; E48-R167 PolarHBondContact OE2-NH2 2.85Å; S98-R167 VanDerWaalsContact CB-NH1 3.3Å; S98-R167 VanDerWaalsContact OG-CD 3.27Å; S98-R167 WeakPolarHBondContact OG-CD 3.27Å; S98-R167 PolarHBondContact OG-NH1 2.64Å; S98-R167 VanDerWaalsContact OG-NH1 3.08Å; R167-G173 CarbonylContact O-C 3.54Å; R167-G173 VanDerWaalsContact O-CA 3.27Å; R167-G173 WeakPolarHBondContact O-CA 3.21Å; R167-F174 HydrophobicContact CB-CD1 3.95Å; R167-F174 HydrophobicContact CB-CD2 4.5Å; R167-F174 HydrophobicContact CB-CE1 3.48Å; R167-F174 VanDerWaalsContact CB-CE1 3.48Å; R167-F174 HydrophobicContact CB-CE2 4.04Å; R167-F174 HydrophobicContact CB-CG 4.46Å; R167-F174 HydrophobicContact CB-CZ 3.51Å; R167-F174 HydrophobicContact CG-CE1 4.08Å; R167-F174 HydrophobicContact CG-CZ 4.4Å; R167-F174 PolarHBondContact N-O 3.48Å; R167-F174 PolarHBondContact O-N 2.94Å
168	E	97.9	Very high	98.1	Very high	107 Å²	107	34.9 Å²	34.9	50%	0.5	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144	178.7	-68.4	-179.2	-131.7	0	0	110.5	K119 Y122	K119-E168 WeakPolarHBondContact CE-OE2 3.11Å; K119-E168 IonicContact NZ-OE2 2.87Å; K119-E168 PolarHBondContact NZ-OE2 2.74Å; Y122-E168 HydrophobicContact CD1-CG 4.16Å; Y122-E168 HydrophobicContact CE1-CG 3.56Å
169	T	97.4	Very high	98.2	Very high	49 Å²	49	31.1 Å²	31.1	30%	0.301	15%	0.15	S	C	.	.			trans	-114.1	-169	165.7	65.5	0	0	0	0	109	F51 K119 D171 R172	F51-T169 HydrophobicContact CE1-CG2 3.85Å; F51-T169 HydrophobicContact CZ-CG2 4.06Å; K119-T169 PolarHBondContact NZ-O 3.32Å; T169-D171 VanDerWaalsContact C-N 3.27Å; T169-D171 PolarHBondContact O-N 2.85Å; T169-D171 PolarHBondContact OG1-OD1 3.12Å; T169-R172 PolarHBondContact N-O 2.92Å; T169-R172 WeakPolarHBondContact OG1-CG 3.26Å; T169-R172 PolarHBondContact OG1-N 2.92Å; T169-R172 PolarHBondContact OG1-O 2.98Å
170	K	97.2	Very high	98.2	Very high	206 Å²	206	30.6 Å²	30.6	90%	0.896	15%	0.149	S	C	*	.	S	Bend	trans	-60.3	-36.8	176.7	-176.8	-179.8	175.5	-175.3	0	112.5
171	D	97.7	Very high	98.2	Very high	73 Å²	73	29.1 Å²	29.1	39%	0.39	14%	0.143	S	C	.	.	S	Bend	trans	-122.3	-6	-163.8	66.5	-42.4	0	0	0	114.4	G118 K119 T169	G118-D171 CarbonylContact C-O 3.55Å; K119-D171 PolarHBondContact N-O 2.67Å; T169-D171 VanDerWaalsContact C-N 3.27Å; T169-D171 PolarHBondContact O-N 2.85Å; T169-D171 PolarHBondContact OG1-OD1 3.12Å
172	R	98.1	Very high	98.2	Very high	30 Å²	30	34.1 Å²	34.1	11%	0.113	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	165.2	-176.4	57.3	-173.2	82.6	-147.4	-12	111.7	F51 R52 M54 A117 T169	F51-R172 HydrophobicContact CD2-CG 4.38Å; F51-R172 HydrophobicContact CE1-CG 4.22Å; F51-R172 HydrophobicContact CE2-CB 4.01Å; F51-R172 HydrophobicContact CE2-CG 3.57Å; F51-R172 HydrophobicContact CZ-CB 4.34Å; F51-R172 HydrophobicContact CZ-CG 3.5Å; F51-R172 VanDerWaalsContact CZ-CG 3.5Å; F51-R172 WeakPolarHBondContact O-CD 3.43Å; F51-R172 PolarHBondContact O-NH1 2.66Å; R52-R172 PolarHBondContact O-NH1 3.26Å; M54-R172 HydrophobicContact CE-CB 3.94Å; M54-R172 PolarHBondContact O-NH1 2.88Å; M54-R172 PolarHBondContact O-NH2 2.91Å; A117-R172 WeakPolarHBondContact O-CA 3.37Å; T169-R172 PolarHBondContact N-O 2.92Å; T169-R172 WeakPolarHBondContact OG1-CG 3.26Å; T169-R172 PolarHBondContact OG1-N 2.92Å; T169-R172 PolarHBondContact OG1-O 2.98Å
173	G	98.4	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.6	173.1	0	0	0	0	0	111.6	M116 A117 Y122 R167	M116-G173 WeakPolarHBondContact CA-O 3.07Å; A117-G173 PolarHBondContact N-O 3.14Å; A117-G173 PolarHBondContact O-N 2.99Å; Y122-G173 VanDerWaalsContact CD2-C 3.46Å; Y122-G173 WeakPolarHBondContact CD2-O 3.47Å; R167-G173 CarbonylContact O-C 3.54Å; R167-G173 VanDerWaalsContact O-CA 3.27Å; R167-G173 WeakPolarHBondContact O-CA 3.21Å
174	F	98.6	Very high	98.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.1	167.3	74.3	-108.7	0	0	0	111.6	F51 T114 F115 M116 Y122 Y166 R167 H176	F51-F174 HydrophobicContact CB-CD1 4.42Å; F51-F174 HydrophobicContact CD1-CD1 4.01Å; F51-F174 HydrophobicContact CD1-CE1 4.23Å; F51-F174 HydrophobicContact CD2-CB 4.11Å; F51-F174 AromaticContact CD2-CD1 3.6Å; F51-F174 HydrophobicContact CD2-CD1 3.6Å; F51-F174 HydrophobicContact CD2-CG 4.35Å; F51-F174 HydrophobicContact CE1-CD1 4.12Å; F51-F174 HydrophobicContact CE1-CE1 4.39Å; F51-F174 HydrophobicContact CE2-CB 4.15Å; F51-F174 AromaticContact CE2-CD1 3.7Å; F51-F174 HydrophobicContact CE2-CD1 3.7Å; F51-F174 HydrophobicContact CE2-CG 4.41Å; F51-F174 AromaticContact CG-CD1 3.74Å; F51-F174 HydrophobicContact CG-CD1 3.74Å; F51-F174 HydrophobicContact CG-CE1 4.29Å; F51-F174 AromaticContact CZ-CD1 3.93Å; F51-F174 HydrophobicContact CZ-CD1 3.93Å; T114-F174 HydrophobicContact CG2-CB 4.15Å; T114-F174 HydrophobicContact CG2-CD2 4.13Å; T114-F174 HydrophobicContact CG2-CG 4.35Å; F115-F174 CarbonylContact O-C 3.59Å; F115-F174 WeakPolarHBondContact O-CA 3.35Å; F115-F174 WeakPolarHBondContact O-CB 3.04Å; M116-F174 HydrophobicContact CB-CB 4.26Å; M116-F174 HydrophobicContact CG-CB 3.82Å; Y122-F174 PolarHBondContact OH-O 2.89Å; Y166-F174 WeakPolarHBondContact CA-O 3.22Å; R167-F174 HydrophobicContact CB-CD1 3.95Å; R167-F174 HydrophobicContact CB-CD2 4.5Å; R167-F174 HydrophobicContact CB-CE1 3.48Å; R167-F174 VanDerWaalsContact CB-CE1 3.48Å; R167-F174 HydrophobicContact CB-CE2 4.04Å; R167-F174 HydrophobicContact CB-CG 4.46Å; R167-F174 HydrophobicContact CB-CZ 3.51Å; R167-F174 HydrophobicContact CG-CE1 4.08Å; R167-F174 HydrophobicContact CG-CZ 4.4Å; R167-F174 PolarHBondContact N-O 3.48Å; R167-F174 PolarHBondContact O-N 2.94Å; F174-H176 HydrophobicContact CD2-CB 4.41Å; F174-H176 AromaticContact CE2-CE1 3.83Å; F174-H176 AromaticContact CE2-CG 3.9Å; F174-H176 AromaticContact CE2-ND1 3.76Å
175	H	98.5	Very high	98.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.4	169.5	166	-158.3	0	0	0	107.3	F113 T114 F115 S127 T128 S164 Y166	F113-H175 AromaticContact CE2-CE1 3.91Å; F113-H175 AromaticContact CE2-NE2 3.72Å; T114-H175 WeakPolarHBondContact CA-O 3.41Å; F115-H175 PolarHBondContact N-O 3.32Å; F115-H175 PolarHBondContact O-N 3.43Å; S127-H175 WeakPolarHBondContact CB-ND1 3.27Å; S127-H175 PolarHBondContact OG-ND1 3.23Å; T128-H175 PolarHBondContact OG1-CE1 2.94Å; S164-H175 WeakPolarHBondContact CB-NE2 3.32Å; S164-H175 PolarHBondContact OG-NE2 3.29Å; Y166-H175 HydrophobicContact CD1-CB 3.72Å; Y166-H175 AromaticContact CD1-CD2 3.75Å; Y166-H175 AromaticContact CD1-CG 3.82Å; Y166-H175 HydrophobicContact CE1-CB 3.89Å; Y166-H175 AromaticContact CE1-CD2 3.23Å; Y166-H175 WeakPolarHBondContact CE1-CD2 3.39Å; Y166-H175 AromaticContact CE1-CG 3.47Å; Y166-H175 VanDerWaalsContact CE1-CG 3.47Å; Y166-H175 AromaticContact CE1-NE2 3.75Å
176	H	98.8	Very high	98.2	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.06	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	157.5	167.9	67.8	-175.5	0	0	0	111.7	E47 S99 F113 T114 S164 A165 F174	E47-H176 IonicContact OE1-CE1 3.63Å; E47-H176 IonicContact OE1-CG 2.72Å; E47-H176 IonicContact OE1-ND1 3.63Å; E47-H176 PolarHBondContact OE1-ND1 3.45Å; E47-H176 IonicContact OE2-CE1 3.25Å; E47-H176 IonicContact OE2-ND1 3.63Å; E47-H176 PolarHBondContact OE2-ND1 3.49Å; S99-H176 PolarHBondContact OG-CE1 2.87Å; S99-H176 PolarHBondContact OG-NE2 3.22Å; F113-H176 CarbonylContact O-C 3.54Å; F113-H176 WeakPolarHBondContact O-CA 3.45Å; F113-H176 WeakPolarHBondContact O-CB 3.07Å; T114-H176 HydrophobicContact CG2-CB 3.94Å; T114-H176 VanDerWaalsContact OG1-CB 3.26Å; T114-H176 WeakPolarHBondContact OG1-CB 3.17Å; S164-H176 CarbonylContact C-O 3.56Å; S164-H176 VanDerWaalsContact CA-O 3.29Å; S164-H176 WeakPolarHBondContact CA-O 3.43Å; A165-H176 PolarHBondContact N-O 3.07Å; A165-H176 PolarHBondContact O-CD2 3.01Å; A165-H176 VanDerWaalsContact O-CD2 3.29Å; A165-H176 PolarHBondContact O-N 3.28Å; A165-H176 VanDerWaalsContact O-O 3.07Å; F174-H176 HydrophobicContact CD2-CB 4.41Å; F174-H176 AromaticContact CE2-CE1 3.83Å; F174-H176 AromaticContact CE2-CG 3.9Å; F174-H176 AromaticContact CE2-ND1 3.76Å
177	G	98.6	Very high	98.2	Very high	7 Å²	7	43 Å²	43	7%	0.072	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	179.2	179.2	0	0	0	0	0	112.1	C112 F113 G163	C112-G177 WeakPolarHBondContact CA-O 3.41Å; F113-G177 VanDerWaalsContact CZ-CA 3.5Å; F113-G177 PolarHBondContact N-O 3.38Å; F113-G177 PolarHBondContact O-N 3.14Å; G163-G177 VanDerWaalsContact O-CA 3.28Å; G163-G177 WeakPolarHBondContact O-CA 3.28Å
178	T	98.8	Very high	98.1	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	160.3	-178.1	66.7	0	0	0	0	111.7	H106 N110 T111 S162 G163	H106-T178 WeakPolarHBondContact NE2-CG2 3.22Å; N110-T178 VanDerWaalsContact OD1-CB 3.26Å; N110-T178 WeakPolarHBondContact OD1-CB 3.32Å; T111-T178 CarbonylContact O-C 3.59Å; T111-T178 VanDerWaalsContact O-CA 3.27Å; T111-T178 WeakPolarHBondContact O-CA 3.33Å; S162-T178 WeakPolarHBondContact CA-O 3.17Å; S162-T178 WeakPolarHBondContact CB-O 3.29Å; S162-T178 PolarHBondContact OG-O 2.79Å; G163-T178 PolarHBondContact N-OG1 3.25Å; G163-T178 PolarHBondContact O-N 3.33Å
179	L	98.8	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.5	164.2	-72.9	171.5	0	0	0	108	N110 T111 F113 V131 L135 V161 L181 L214 V226 I230	N110-L179 WeakPolarHBondContact CA-O 3.49Å; T111-L179 PolarHBondContact N-O 3.18Å; T111-L179 PolarHBondContact O-N 2.97Å; F113-L179 HydrophobicContact CD1-CD1 4.39Å; F113-L179 HydrophobicContact CD1-CG 4.35Å; F113-L179 HydrophobicContact CE1-CD1 4.45Å; F113-L179 HydrophobicContact CE1-CG 4.07Å; V131-L179 HydrophobicContact CG1-CD1 4.35Å; V131-L179 HydrophobicContact CG1-CD2 4.31Å; L135-L179 HydrophobicContact CD1-CD2 4.16Å; L135-L179 HydrophobicContact CD2-CD1 4.46Å; L135-L179 HydrophobicContact CD2-CD2 4.25Å; V161-L179 WeakPolarHBondContact O-CA 3.07Å; L179-L181 HydrophobicContact CB-CD2 3.91Å; L179-L181 PolarHBondContact O-N 2.83Å; L179-L214 HydrophobicContact CD2-CD1 4.45Å; L179-V226 HydrophobicContact CD1-CG1 3.52Å; L179-I230 HydrophobicContact CD1-CD1 3.83Å
180	L	98.7	Very high	97.9	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	102	175.6	-65.5	174.6	0	0	0	108.7	V161 A183 L185 L188 V211 N213 L214	V161-L180 PolarHBondContact O-N 3.48Å; L180-A183 HydrophobicContact CD2-CB 3.84Å; L180-L185 HydrophobicContact CD1-CD2 4.38Å; L180-L188 HydrophobicContact CD2-CD1 4.37Å; L180-V211 HydrophobicContact CD1-CB 3.71Å; L180-V211 HydrophobicContact CD1-CG1 4.01Å; L180-V211 HydrophobicContact CD1-CG2 4.3Å; L180-N213 CarbonylContact O-C 3.58Å; L180-L214 WeakPolarHBondContact O-CG 3.39Å; L180-L214 PolarHBondContact O-N 3.42Å
181	L	98.6	Very high	97.8	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	17%	0.174	C	C	.	.	S	Bend	trans	-90	-59.2	-178.8	-51.3	-168.2	0	0	0	110.3	G109 T111 L179 N213 L214 T215 I221 H223 V226	G109-L181 WeakPolarHBondContact O-CA 3.25Å; G109-L181 WeakPolarHBondContact O-CB 3.5Å; G109-L181 PolarHBondContact O-N 2.9Å; T111-L181 WeakPolarHBondContact OG1-CD1 3.35Å; L179-L181 HydrophobicContact CB-CD2 3.91Å; L179-L181 PolarHBondContact O-N 2.83Å; L181-N213 VanDerWaalsContact O-CB 3.31Å; L181-N213 WeakPolarHBondContact O-CB 3.36Å; L181-L214 HydrophobicContact CD2-CB 4.46Å; L181-L214 HydrophobicContact CD2-CD1 3.75Å; L181-L214 PolarHBondContact O-N 2.95Å; L181-T215 WeakPolarHBondContact O-CB 3.48Å; L181-T215 PolarHBondContact O-N 3.15Å; L181-I221 HydrophobicContact CD2-CD1 4.35Å; L181-H223 HydrophobicContact CD1-CB 4.34Å; L181-V226 HydrophobicContact CD1-CB 4.23Å; L181-V226 HydrophobicContact CD1-CG2 3.85Å; L181-V226 HydrophobicContact CD2-CG1 4.47Å; L181-V226 HydrophobicContact CD2-CG2 3.74Å; L181-V226 HydrophobicContact CG-CG2 4.47Å
182	N	98.4	Very high	97.7	Very high	104 Å²	104	28.8 Å²	28.8	56%	0.556	16%	0.163	S	C	*	.	S	Bend	trans	-151.6	42.4	-179	-169.4	33.4	0	0	0	110.1	G109	G109-N182 PolarHBondContact O-N 2.8Å
183	A	98.3	Very high	97.4	Very high	3 Å²	3	31 Å²	31	3%	0.025	18%	0.177	C	C	.	.			trans	-70.1	149.9	179.4	0	0	0	0	0	110.6	D107 G109 L180 L185 N213	D107-A183 WeakPolarHBondContact OD1-CA 3.47Å; D107-A183 WeakPolarHBondContact OD1-CB 3.44Å; G109-A183 PolarHBondContact O-N 3.35Å; L180-A183 HydrophobicContact CD2-CB 3.84Å; A183-L185 HydrophobicContact CB-CD2 4.46Å; A183-L185 PolarHBondContact O-N 3.42Å; A183-N213 PolarHBondContact N-ND2 3.41Å; A183-N213 PolarHBondContact N-OD1 3.01Å; A183-N213 PolarHBondContact O-ND2 3.44Å
184	D	98.4	Very high	96.8	Very high	65 Å²	65	31.7 Å²	31.7	35%	0.348	18%	0.182	S	C	.	.			trans	-72.9	93.8	173.1	-173.1	-24.7	0	0	0	109.8	D107 S186 R187 L188	D107-D184 PolarHBondContact OD2-N 3.35Å; D184-S186 PolarHBondContact O-N 3.1Å; D184-S186 WeakPolarHBondContact OD1-CA 3.29Å; D184-S186 VanDerWaalsContact OD1-CB 3.29Å; D184-S186 WeakPolarHBondContact OD1-CB 3.44Å; D184-S186 PolarHBondContact OD1-N 3.4Å; D184-S186 PolarHBondContact OD1-OG 3.41Å; D184-R187 HydrophobicContact CB-CB 3.98Å; D184-R187 HydrophobicContact CB-CG 4.12Å; D184-R187 VanDerWaalsContact CG-CG 3.49Å; D184-R187 PolarHBondContact O-N 3.37Å; D184-R187 VanDerWaalsContact O-N 3.17Å; D184-R187 PolarHBondContact OD1-N 3.4Å; D184-R187 WeakPolarHBondContact OD2-CD 3.48Å; D184-R187 VanDerWaalsContact OD2-CG 3.26Å; D184-R187 WeakPolarHBondContact OD2-CG 3.34Å; D184-L188 PolarHBondContact O-N 2.96Å
185	L	97.5	Very high	95.7	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.267	20%	0.195	S	C	.	.	H	α-helix	trans	-64.8	-22.3	-178.6	-56.9	-173.8	0	0	0	112.5	L180 A183 L188 A189 V211	L180-L185 HydrophobicContact CD1-CD2 4.38Å; A183-L185 HydrophobicContact CB-CD2 4.46Å; A183-L185 PolarHBondContact O-N 3.42Å; L185-L188 HydrophobicContact CD2-CD1 4.35Å; L185-A189 WeakPolarHBondContact O-CB 3.35Å; L185-A189 PolarHBondContact O-N 2.93Å; L185-V211 HydrophobicContact CD2-CG2 4.05Å
186	S	97.3	Very high	94.4	Very high	82 Å²	82	42.8 Å²	42.8	57%	0.573	23%	0.232	S	C	*	.	H	α-helix	trans	-72.4	-43.2	175.2	83.6	0	0	0	0	110.9	D184 A189 N190	D184-S186 PolarHBondContact O-N 3.1Å; D184-S186 WeakPolarHBondContact OD1-CA 3.29Å; D184-S186 VanDerWaalsContact OD1-CB 3.29Å; D184-S186 WeakPolarHBondContact OD1-CB 3.44Å; D184-S186 PolarHBondContact OD1-N 3.4Å; D184-S186 PolarHBondContact OD1-OG 3.41Å; S186-A189 PolarHBondContact O-N 3.18Å; S186-N190 WeakPolarHBondContact O-CB 3.19Å; S186-N190 PolarHBondContact O-N 3.2Å
187	R	97.8	Very high	92.6	Very high	55 Å²	55	52 Å²	52	21%	0.208	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-42.2	173.3	-73.7	-177.7	79	-155.6	4.2	111.6	D68 F105 D184 A189 N190 Y191	D68-R187 IonicContact OD1-CZ 2.75Å; D68-R187 IonicContact OD1-NH1 2.65Å; D68-R187 PolarHBondContact OD1-NH1 2.96Å; D68-R187 IonicContact OD1-NH2 3.83Å; D68-R187 IonicContact OD2-CZ 3.06Å; D68-R187 IonicContact OD2-NH1 3.3Å; D68-R187 PolarHBondContact OD2-NH1 2.78Å; D68-R187 IonicContact OD2-NH2 2.69Å; D68-R187 PolarHBondContact OD2-NH2 3.44Å; F105-R187 HydrophobicContact CE1-CB 4.1Å; F105-R187 HydrophobicContact CZ-CB 4.09Å; D184-R187 HydrophobicContact CB-CB 3.98Å; D184-R187 HydrophobicContact CB-CG 4.12Å; D184-R187 VanDerWaalsContact CG-CG 3.49Å; D184-R187 PolarHBondContact O-N 3.37Å; D184-R187 VanDerWaalsContact O-N 3.17Å; D184-R187 PolarHBondContact OD1-N 3.4Å; D184-R187 WeakPolarHBondContact OD2-CD 3.48Å; D184-R187 VanDerWaalsContact OD2-CG 3.26Å; D184-R187 WeakPolarHBondContact OD2-CG 3.34Å; R187-A189 VanDerWaalsContact C-N 3.34Å; R187-A189 PolarHBondContact O-N 2.74Å; R187-N190 WeakPolarHBondContact O-CB 3.36Å; R187-N190 PolarHBondContact O-N 3.06Å; R187-N190 VanDerWaalsContact O-N 3.1Å; R187-Y191 HydrophobicContact CB-CD2 4.18Å; R187-Y191 HydrophobicContact CB-CE2 3.75Å; R187-Y191 HydrophobicContact CG-CE2 4.18Å; R187-Y191 PolarHBondContact NE-OH 2.84Å; R187-Y191 PolarHBondContact NH2-OH 2.98Å; R187-Y191 WeakPolarHBondContact O-CD2 3.33Å; R187-Y191 PolarHBondContact O-N 3.03Å
188	L	97.1	Very high	90.7	Very high	26 Å²	26	55.5 Å²	55.5	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-52.7	-52.4	171.9	-179	155.6	0	0	0	111	F105 L180 D184 L185 N190 L192 V211	F105-L188 HydrophobicContact CB-CB 4.04Å; F105-L188 HydrophobicContact CB-CD1 4.33Å; F105-L188 HydrophobicContact CB-CG 3.88Å; F105-L188 HydrophobicContact CD1-CB 3.78Å; F105-L188 HydrophobicContact CD1-CG 4.44Å; F105-L188 HydrophobicContact CG-CB 4.2Å; L180-L188 HydrophobicContact CD2-CD1 4.37Å; D184-L188 PolarHBondContact O-N 2.96Å; L185-L188 HydrophobicContact CD2-CD1 4.35Å; L188-N190 VanDerWaalsContact C-N 3.28Å; L188-N190 PolarHBondContact O-N 3.47Å; L188-L192 HydrophobicContact CD2-CD1 3.91Å; L188-L192 HydrophobicContact CG-CD1 3.96Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.27Å; L188-L192 PolarHBondContact O-N 2.99Å; L188-V211 HydrophobicContact CD1-CG2 4.5Å; L188-V211 HydrophobicContact CD2-CG2 4.41Å
189	A	95.2	Very high	88.6	Confident	58 Å²	58	59.4 Å²	59.4	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-35.8	179	0	0	0	0	0	112.1	L185 S186 R187 N193	L185-A189 WeakPolarHBondContact O-CB 3.35Å; L185-A189 PolarHBondContact O-N 2.93Å; S186-A189 PolarHBondContact O-N 3.18Å; R187-A189 VanDerWaalsContact C-N 3.34Å; R187-A189 PolarHBondContact O-N 2.74Å; A189-N193 WeakPolarHBondContact O-CB 3.33Å; A189-N193 PolarHBondContact O-N 3.17Å
190	N	95	Very high	86.7	Confident	45 Å²	45	64.5 Å²	64.5	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-50.5	178.9	-173.3	36.1	0	0	0	112.4	R86 S186 R187 L188	R86-N190 WeakPolarHBondContact CD-OD1 3.37Å; R86-N190 VanDerWaalsContact CZ-OD1 3.26Å; R86-N190 PolarHBondContact NE-OD1 2.86Å; R86-N190 PolarHBondContact NH1-OD1 3.02Å; S186-N190 WeakPolarHBondContact O-CB 3.19Å; S186-N190 PolarHBondContact O-N 3.2Å; R187-N190 WeakPolarHBondContact O-CB 3.36Å; R187-N190 PolarHBondContact O-N 3.06Å; R187-N190 VanDerWaalsContact O-N 3.1Å; L188-N190 VanDerWaalsContact C-N 3.28Å; L188-N190 PolarHBondContact O-N 3.47Å
191	Y	96	Very high	85.1	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.02	36%	0.355	C	S	.	.	H	α-helix	trans	-80.9	-24	-175.6	-56.8	-55.7	0	0	0	113.3	C82 N83 R86 M87 D90 V92 F105 R187 N193	C82-Y191 CarbonylContact C-O 3.35Å; C82-Y191 WeakPolarHBondContact CA-O 3.28Å; C82-Y191 WeakPolarHBondContact CB-O 3.43Å; N83-Y191 PolarHBondContact N-O 2.91Å; R86-Y191 HydrophobicContact CB-CD1 4.16Å; R86-Y191 HydrophobicContact CB-CE1 4.16Å; M87-Y191 HydrophobicContact CG-CD1 3.84Å; M87-Y191 HydrophobicContact CG-CG 4.23Å; D90-Y191 HydrophobicContact CB-CE1 4.16Å; D90-Y191 WeakPolarHBondContact CB-OH 3.35Å; D90-Y191 WeakPolarHBondContact OD2-CE1 3.13Å; D90-Y191 VanDerWaalsContact OD2-CZ 3.3Å; D90-Y191 PolarHBondContact OD2-OH 2.83Å; V92-Y191 HydrophobicContact CG1-CD2 4.44Å; V92-Y191 HydrophobicContact CG2-CD1 4.38Å; V92-Y191 HydrophobicContact CG2-CD2 4.23Å; V92-Y191 HydrophobicContact CG2-CE1 3.85Å; V92-Y191 HydrophobicContact CG2-CE2 3.65Å; V92-Y191 VanDerWaalsContact CG2-CZ 3.46Å; F105-Y191 AromaticContact CD2-CD2 3.74Å; F105-Y191 HydrophobicContact CD2-CD2 3.74Å; F105-Y191 AromaticContact CE2-CD2 3.46Å; F105-Y191 HydrophobicContact CE2-CD2 3.46Å; F105-Y191 VanDerWaalsContact CE2-CD2 3.46Å; F105-Y191 AromaticContact CE2-CE2 3.8Å; F105-Y191 HydrophobicContact CE2-CE2 3.8Å; F105-Y191 HydrophobicContact CZ-CD2 4.11Å; F105-Y191 HydrophobicContact CZ-CE2 4.15Å; R187-Y191 HydrophobicContact CB-CD2 4.18Å; R187-Y191 HydrophobicContact CB-CE2 3.75Å; R187-Y191 HydrophobicContact CG-CE2 4.18Å; R187-Y191 PolarHBondContact NE-OH 2.84Å; R187-Y191 PolarHBondContact NH2-OH 2.98Å; R187-Y191 WeakPolarHBondContact O-CD2 3.33Å; R187-Y191 PolarHBondContact O-N 3.03Å; Y191-N193 VanDerWaalsContact C-N 3.3Å
192	L	95.3	Very high	83.7	Confident	33 Å²	33	74.9 Å²	74.9	17%	0.173	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	11.5	174.6	-57.9	-178	0	0	0	113.4	V70 A103 F105 L188 P194	V70-L192 HydrophobicContact CG1-CD2 3.79Å; V70-L192 HydrophobicContact CG2-CD2 4.29Å; A103-L192 HydrophobicContact CB-CD2 3.9Å; F105-L192 HydrophobicContact CB-CD1 4.29Å; F105-L192 HydrophobicContact CB-CG 4.36Å; L188-L192 HydrophobicContact CD2-CD1 3.91Å; L188-L192 HydrophobicContact CG-CD1 3.96Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.27Å; L188-L192 PolarHBondContact O-N 2.99Å; L192-P194 VanDerWaalsContact O-CD 3.32Å; L192-P194 WeakPolarHBondContact O-CD 3.43Å
193	N	91.4	Very high	82.5	Confident	75 Å²	75	71.9 Å²	71.9	40%	0.401	39%	0.391	S	S	.	.	S	Bend	trans	-110.1	89.8	174.7	-169.2	31.8	0	0	0	111.3	N83 A189 Y191	N83-N193 WeakPolarHBondContact CB-O 3.36Å; N83-N193 PolarHBondContact ND2-O 3.08Å; N83-N193 VanDerWaalsContact ND2-O 3.1Å; A189-N193 WeakPolarHBondContact O-CB 3.33Å; A189-N193 PolarHBondContact O-N 3.17Å; Y191-N193 VanDerWaalsContact C-N 3.3Å
194	P	84.9	Confident	81.7	Confident	15 Å²	15	76 Å²	76	10%	0.097	41%	0.412	C	S	.	.			trans	-65.8	154.7	-175.2	31.3	-40.4	0	0	0	112.4	W79 K80 L192 K196	W79-P194 WeakPolarHBondContact O-CB 3.05Å; K80-P194 VanDerWaalsContact O-CG 3.24Å; K80-P194 WeakPolarHBondContact O-CG 3.36Å; L192-P194 VanDerWaalsContact O-CD 3.32Å; L192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-K196 PolarHBondContact O-N 2.75Å
195	D	76.7	Confident	81.1	Confident	51 Å²	51	76.7 Å²	76.7	27%	0.273	42%	0.418	S	S	.	.			trans	-65.8	119	173.7	-73.7	-26.1	0	0	0	110.3	N83 R85 K197 K198	N83-D195 PolarHBondContact ND2-OD1 3.32Å; R85-D195 IonicContact NE-OD2 3.66Å; R85-D195 PolarHBondContact NE-OD2 3.42Å; R85-D195 IonicContact NH2-OD1 3.43Å; D195-K197 PolarHBondContact O-N 2.69Å; D195-K198 PolarHBondContact O-N 2.95Å
196	K	70.4	Confident	80.5	Confident	184 Å²	184	75.8 Å²	75.8	80%	0.8	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-53.8	-20.6	-176.3	-67.1	-175.4	178.8	-179.5	0	114.9	P194 K198	P194-K196 PolarHBondContact O-N 2.75Å; K196-K198 VanDerWaalsContact C-N 3.28Å; K196-K198 PolarHBondContact O-N 2.87Å
197	K	61.4	Low	80.1	Confident	207 Å²	207	77.8 Å²	77.8	90%	0.9	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-76	-6.4	-174.4	-64.3	-174.6	179.4	179	0	114.5	D195	D195-K197 PolarHBondContact O-N 2.69Å
198	K	59.1	Low	79.7	Confident	80 Å²	80	83.9 Å²	83.9	35%	0.348	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-105.6	17.3	-171.5	-64.8	-173.5	179.4	178.8	0	115.4	W79 D195 K196 A200	W79-K198 HydrophobicContact CB-CD 4.21Å; D195-K198 PolarHBondContact O-N 2.95Å; K196-K198 VanDerWaalsContact C-N 3.28Å; K196-K198 PolarHBondContact O-N 2.87Å; K198-A200 PolarHBondContact O-N 2.75Å
199	L	54.9	Low	79.4	Confident	95 Å²	95	85.1 Å²	85.1	50%	0.497	46%	0.458	S	S	.	.			trans	-103.3	81	-158.3	-64.1	172	0	0	0	114.8	K80	K80-L199 HydrophobicContact CB-CD2 4.22Å; K80-L199 HydrophobicContact CG-CD2 3.64Å
200	A	59.2	Low	79.4	Confident	106 Å²	106	89.7 Å²	89.7	88%	0.876	46%	0.463	S	S	*	.			trans	-148.3	65.2	154.6	0	0	0	0	0	110.1	K198	K198-A200 PolarHBondContact O-N 2.75Å
201	A	64.9	Low	79.6	Confident	26 Å²	26	89.7 Å²	89.7	22%	0.215	46%	0.464	C	S	.	.			trans	-122.5	137.9	-179.7	0	0	0	0	0	112.8	N77 K80	N77-A201 HydrophobicContact CB-CB 4.26Å; N77-A201 VanDerWaalsContact ND2-CB 3.29Å; N77-A201 WeakPolarHBondContact ND2-CB 3.37Å; K80-A201 HydrophobicContact CD-CB 4.32Å; K80-A201 PolarHBondContact NZ-O 3.35Å; K80-A201 VanDerWaalsContact NZ-O 3.09Å
202	K	69.1	Low	79.7	Confident	206 Å²	206	90.3 Å²	90.3	90%	0.896	47%	0.469	S	S	*	.			trans	-73.2	152.4	168.1	-64.7	-178.2	179.1	179.8	0	109.9
203	G	73.6	Confident	79.8	Confident	42 Å²	42	89.2 Å²	89.2	43%	0.433	46%	0.463	S	S	.	.	S	Bend	trans	138.7	167.7	178.3	0	0	0	0	0	112.7	A75	A75-G203 WeakPolarHBondContact O-CA 3.26Å
204	I	80.2	Confident	80.2	Confident	90 Å²	90	85.7 Å²	85.7	46%	0.462	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-65.4	134.4	173.9	-63	-55.9	0	0	0	109.2	A75 Q76	A75-I204 HydrophobicContact CB-CG1 3.98Å; A75-I204 PolarHBondContact O-N 3.46Å; Q76-I204 HydrophobicContact CG-CB 4.24Å; Q76-I204 HydrophobicContact CG-CG2 4.49Å; Q76-I204 WeakPolarHBondContact CG-O 3.35Å
205	T	86.2	Confident	80.8	Confident	79 Å²	79	86.4 Å²	86.4	49%	0.485	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-102.1	146.6	177.2	56	0	0	0	0	110.7	K80 E81	K80-T205 HydrophobicContact CD-CG2 4.43Å; K80-T205 VanDerWaalsContact NZ-CG2 3.28Å; E81-T205 WeakPolarHBondContact OE1-CA 3.39Å
206	S	85.9	Confident	81.7	Confident	31 Å²	31	90.6 Å²	90.6	22%	0.217	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-72.4	138.2	179	-54.6	0	0	0	0	110.8	Q76 E81 A103	Q76-S206 PolarHBondContact NE2-OG 2.6Å; E81-S206 WeakPolarHBondContact OE2-CB 3.29Å; E81-S206 PolarHBondContact OE2-N 3.41Å; E81-S206 PolarHBondContact OE2-OG 2.93Å; A103-S206 PolarHBondContact N-OG 3.02Å
207	V	87	Confident	83	Confident	124 Å²	124	85 Å²	85	75%	0.752	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-86	118.8	168.6	-179.1	0	0	0	0	107.8
208	R	89.5	Confident	84.6	Confident	183 Å²	183	77.7 Å²	77.7	69%	0.691	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-84.3	131.2	179.6	-66.6	-176.4	174	-166.2	-6.9	110
209	S	92.3	Very high	86.4	Confident	53 Å²	53	79.1 Å²	79.1	37%	0.371	43%	0.433	S	S	.	.			trans	-130.8	151.8	175.8	-57.7	0	0	0	0	109.5	V211	S209-V211 PolarHBondContact O-N 2.85Å
210	R	95.4	Very high	88.4	Confident	154 Å²	154	77.2 Å²	77.2	58%	0.581	44%	0.436	S	S	*	.			trans	-71.7	124.4	167.5	-66.5	179.5	-65.2	176.9	1.8	108	R159 K160	R159-R210 VanDerWaalsContact NH1-CZ 3.26Å; K160-R210 PolarHBondContact N-O 3.23Å
211	V	97.8	Very high	90.2	Very high	44 Å²	44	72.8 Å²	72.8	27%	0.267	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-106.6	159.7	-178.2	-64.9	0	0	0	0	111.2	K160 L180 L185 L188 S209	K160-V211 HydrophobicContact CB-CG1 4.13Å; K160-V211 HydrophobicContact CD-CG1 4.33Å; K160-V211 HydrophobicContact CG-CG1 4.36Å; K160-V211 CarbonylContact O-C 3.12Å; K160-V211 WeakPolarHBondContact O-CA 3.3Å; K160-V211 WeakPolarHBondContact O-CB 3.29Å; L180-V211 HydrophobicContact CD1-CB 3.71Å; L180-V211 HydrophobicContact CD1-CG1 4.01Å; L180-V211 HydrophobicContact CD1-CG2 4.3Å; L185-V211 HydrophobicContact CD2-CG2 4.05Å; L188-V211 HydrophobicContact CD1-CG2 4.5Å; L188-V211 HydrophobicContact CD2-CG2 4.41Å; S209-V211 PolarHBondContact O-N 2.85Å
212	T	98.3	Very high	91.8	Very high	19 Å²	19	74.1 Å²	74.1	12%	0.117	40%	0.403	C	S	.	.			trans	-143.5	163.2	167.4	-161.2	0	0	0	0	110.1	V152 T154 R159 K160 V161 L217	V152-T212 HydrophobicContact CG2-CG2 3.85Å; T154-T212 HydrophobicContact CG2-CG2 4.43Å; R159-T212 HydrophobicContact CB-CG2 3.46Å; R159-T212 VanDerWaalsContact CB-CG2 3.46Å; R159-T212 HydrophobicContact CG-CG2 4.17Å; K160-T212 PolarHBondContact O-N 3.42Å; V161-T212 HydrophobicContact CG1-CG2 3.71Å; T212-L217 HydrophobicContact CG2-CD1 4.46Å
213	N	98.6	Very high	93.2	Very high	10 Å²	10	65.2 Å²	65.2	5%	0.053	37%	0.365	C	S	.	.			trans	-89	145.8	172.6	-84.2	-33.8	0	0	0	110.5	L180 L181 A183 T215 E216	L180-N213 CarbonylContact O-C 3.58Å; L181-N213 VanDerWaalsContact O-CB 3.31Å; L181-N213 WeakPolarHBondContact O-CB 3.36Å; A183-N213 PolarHBondContact N-ND2 3.41Å; A183-N213 PolarHBondContact N-OD1 3.01Å; A183-N213 PolarHBondContact O-ND2 3.44Å; N213-T215 HydrophobicContact CB-CG2 4.03Å; N213-T215 PolarHBondContact O-N 2.75Å; N213-E216 WeakPolarHBondContact O-CB 3.21Å; N213-E216 PolarHBondContact O-N 2.86Å
214	L	98.3	Very high	94.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-65.7	-23.5	174	-71.7	179.8	0	0	0	112.7	L135 V140 V152 V161 L179 L180 L181 E216 L217 L218 I221	L135-L214 HydrophobicContact CD2-CD1 3.61Å; V140-L214 HydrophobicContact CG1-CD2 3.76Å; V140-L214 HydrophobicContact CG2-CD2 4.47Å; V152-L214 HydrophobicContact CG1-CD2 4.4Å; V161-L214 HydrophobicContact CB-CD2 4.05Å; V161-L214 HydrophobicContact CB-CG 4.33Å; V161-L214 HydrophobicContact CG1-CD2 3.89Å; V161-L214 HydrophobicContact CG1-CG 4.43Å; V161-L214 HydrophobicContact CG2-CD2 4.2Å; L179-L214 HydrophobicContact CD2-CD1 4.45Å; L180-L214 WeakPolarHBondContact O-CG 3.39Å; L180-L214 PolarHBondContact O-N 3.42Å; L181-L214 HydrophobicContact CD2-CB 4.46Å; L181-L214 HydrophobicContact CD2-CD1 3.75Å; L181-L214 PolarHBondContact O-N 2.95Å; L214-E216 PolarHBondContact O-N 2.81Å; L214-E216 VanDerWaalsContact O-N 3.15Å; L214-L217 PolarHBondContact O-N 3.34Å; L214-L218 PolarHBondContact O-N 2.95Å; L214-I221 HydrophobicContact CB-CD1 4.03Å; L214-I221 HydrophobicContact CB-CG2 4.3Å; L214-I221 HydrophobicContact CD1-CD1 4.13Å
215	T	97.8	Very high	95.3	Very high	31 Å²	31	68.1 Å²	68.1	19%	0.19	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-59.2	-22.9	174.1	-152.9	0	0	0	0	113.2	L181 N213 L217 L218 P219	L181-T215 WeakPolarHBondContact O-CB 3.48Å; L181-T215 PolarHBondContact O-N 3.15Å; N213-T215 HydrophobicContact CB-CG2 4.03Å; N213-T215 PolarHBondContact O-N 2.75Å; T215-L217 VanDerWaalsContact C-N 3.27Å; T215-L217 PolarHBondContact O-N 3.43Å; T215-L218 CarbonylContact O-C 3.54Å; T215-P219 WeakPolarHBondContact O-CA 3.28Å
216	E	96.4	Very high	95.9	Very high	138 Å²	138	64.5 Å²	64.5	65%	0.645	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-70.4	-24.5	174.5	-60.1	-61.4	134.6	0	0	112.5	N213 L214	N213-E216 WeakPolarHBondContact O-CB 3.21Å; N213-E216 PolarHBondContact O-N 2.86Å; L214-E216 PolarHBondContact O-N 2.81Å; L214-E216 VanDerWaalsContact O-N 3.15Å
217	L	96.2	Very high	96.5	Very high	67 Å²	67	63.5 Å²	63.5	35%	0.351	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-37.3	178.6	-75.1	80.3	0	0	0	111.7	V140 V152 T212 L214 T215	V140-L217 HydrophobicContact CG1-CD2 4.24Å; V152-L217 HydrophobicContact CB-CD2 3.78Å; V152-L217 HydrophobicContact CG1-CD2 4.07Å; V152-L217 HydrophobicContact CG2-CD1 3.86Å; V152-L217 HydrophobicContact CG2-CD2 3.91Å; T212-L217 HydrophobicContact CG2-CD1 4.46Å; L214-L217 PolarHBondContact O-N 3.34Å; T215-L217 VanDerWaalsContact C-N 3.27Å; T215-L217 PolarHBondContact O-N 3.43Å
218	L	96.3	Very high	97	Very high	54 Å²	54	63.6 Å²	63.6	28%	0.283	33%	0.328	S	S	.	.	S	Bend	trans	-130.3	85.4	179.7	-173.4	66.8	0	0	0	109.6	L138 V140 L214 T215 G220 I221	L138-L218 HydrophobicContact CB-CD2 4.14Å; L138-L218 WeakPolarHBondContact O-CD2 3.36Å; V140-L218 HydrophobicContact CG2-CB 4.25Å; L214-L218 PolarHBondContact O-N 2.95Å; T215-L218 CarbonylContact O-C 3.54Å; L218-G220 PolarHBondContact O-N 3.16Å; L218-I221 HydrophobicContact CB-CB 4.43Å; L218-I221 HydrophobicContact CD2-CB 4.15Å; L218-I221 HydrophobicContact CD2-CD1 4.1Å; L218-I221 HydrophobicContact CD2-CG1 4.21Å; L218-I221 HydrophobicContact CG-CB 4.33Å; L218-I221 WeakPolarHBondContact O-CB 3.28Å; L218-I221 WeakPolarHBondContact O-CG2 3.43Å; L218-I221 PolarHBondContact O-N 3.33Å
219	P	96.7	Very high	97.5	Very high	109 Å²	109	55.4 Å²	55.4	71%	0.708	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	130.2	178.2	-26.3	35.2	0	0	0	111.5	T215	T215-P219 WeakPolarHBondContact O-CA 3.28Å
220	G	96	Very high	97.8	Very high	55 Å²	55	53 Å²	53	57%	0.567	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	5.3	179.6	0	0	0	0	0	115.2	L218 T222 Q225	L218-G220 PolarHBondContact O-N 3.16Å; G220-T222 WeakPolarHBondContact O-CG2 3.44Å; G220-T222 PolarHBondContact O-N 3.36Å; G220-Q225 PolarHBondContact O-OE1 2.75Å
221	I	98.1	Very high	98	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.067	26%	0.259	C	S	.	.			trans	-56.1	127.4	172.3	-168.6	172.5	0	0	0	111.4	L138 L181 L214 L218 V226	L138-I221 HydrophobicContact CD1-CD1 4.31Å; L181-I221 HydrophobicContact CD2-CD1 4.35Å; L214-I221 HydrophobicContact CB-CD1 4.03Å; L214-I221 HydrophobicContact CB-CG2 4.3Å; L214-I221 HydrophobicContact CD1-CD1 4.13Å; L218-I221 HydrophobicContact CB-CB 4.43Å; L218-I221 HydrophobicContact CD2-CB 4.15Å; L218-I221 HydrophobicContact CD2-CD1 4.1Å; L218-I221 HydrophobicContact CD2-CG1 4.21Å; L218-I221 HydrophobicContact CG-CB 4.33Å; L218-I221 WeakPolarHBondContact O-CB 3.28Å; L218-I221 WeakPolarHBondContact O-CG2 3.43Å; L218-I221 PolarHBondContact O-N 3.33Å; I221-V226 HydrophobicContact CD1-CG2 3.59Å; I221-V226 HydrophobicContact CG1-CG2 3.76Å
222	T	98.6	Very high	98	Very high	54 Å²	54	47.8 Å²	47.8	33%	0.331	26%	0.263	S	S	.	.			trans	-109.7	165.4	177.2	84.1	0	0	0	0	112.2	G220 E224 Q225 V226	G220-T222 WeakPolarHBondContact O-CG2 3.44Å; G220-T222 PolarHBondContact O-N 3.36Å; T222-E224 VanDerWaalsContact C-N 3.31Å; T222-E224 WeakPolarHBondContact CB-OE2 3.24Å; T222-E224 PolarHBondContact OG1-N 3.39Å; T222-E224 PolarHBondContact OG1-OE2 2.59Å; T222-Q225 PolarHBondContact OG1-N 2.95Å; T222-V226 WeakPolarHBondContact O-CG2 3.22Å; T222-V226 PolarHBondContact O-N 3.07Å
223	H	98.6	Very high	98	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.093	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-41.5	173.7	167.7	72.4	0	0	0	112.1	R65 T111 L181 Q225 V226 C227	R65-H223 VanDerWaalsContact CD-ND1 3.33Å; R65-H223 WeakPolarHBondContact CD-ND1 3.38Å; R65-H223 VanDerWaalsContact CZ-CD2 3.49Å; R65-H223 PolarHBondContact NE-CD2 2.82Å; R65-H223 PolarHBondContact NE-ND1 2.95Å; R65-H223 VanDerWaalsContact NH1-CB 3.29Å; R65-H223 PolarHBondContact NH2-CD2 3.18Å; R65-H223 VanDerWaalsContact NH2-CG 3.32Å; T111-H223 PolarHBondContact OG1-ND1 3.2Å; L181-H223 HydrophobicContact CD1-CB 4.34Å; H223-Q225 PolarHBondContact O-N 2.96Å; H223-V226 PolarHBondContact O-N 3.22Å; H223-C227 PolarHBondContact CE1-SG 3.27Å; H223-C227 PolarHBondContact NE2-SG 3.03Å; H223-C227 VanDerWaalsContact NE2-SG 3.44Å; H223-C227 WeakPolarHBondContact O-CB 3.47Å; H223-C227 PolarHBondContact O-N 3.1Å; H223-C227 PolarHBondContact O-SG 3.3Å; H223-C227 VanDerWaalsContact O-SG 3.36Å
224	E	98.5	Very high	98	Very high	113 Å²	113	47.1 Å²	47.1	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-42.3	-177.4	-60.6	67.9	-144.2	0	0	110.5	R65 T222 V226 C227 E228	R65-E224 IonicContact NH2-OE1 2.68Å; T222-E224 VanDerWaalsContact C-N 3.31Å; T222-E224 WeakPolarHBondContact CB-OE2 3.24Å; T222-E224 PolarHBondContact OG1-N 3.39Å; T222-E224 PolarHBondContact OG1-OE2 2.59Å; E224-V226 VanDerWaalsContact C-N 3.34Å; E224-V226 PolarHBondContact O-N 3.37Å; E224-C227 PolarHBondContact O-N 2.76Å; E224-E228 WeakPolarHBondContact O-CB 3.43Å; E224-E228 PolarHBondContact O-N 3.02Å
225	Q	98.5	Very high	98.1	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-61.7	-40.5	174.3	-70.4	173.7	-33.2	0	0	112.4	L138 G220 T222 H223 A229	L138-Q225 HydrophobicContact CD2-CB 4.47Å; G220-Q225 PolarHBondContact O-OE1 2.75Å; T222-Q225 PolarHBondContact OG1-N 2.95Å; H223-Q225 PolarHBondContact O-N 2.96Å; Q225-A229 WeakPolarHBondContact O-CB 3.2Å; Q225-A229 PolarHBondContact O-N 3.33Å
226	V	98.7	Very high	98.1	Very high	2 Å²	2	50 Å²	50	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-69.7	-41.9	177.6	171.6	0	0	0	0	111.2	T111 L138 L179 L181 I221 T222 H223 E224 A229 I230	T111-V226 HydrophobicContact CG2-CG1 4.13Å; L138-V226 HydrophobicContact CD1-CG2 3.95Å; L179-V226 HydrophobicContact CD1-CG1 3.52Å; L181-V226 HydrophobicContact CD1-CB 4.23Å; L181-V226 HydrophobicContact CD1-CG2 3.85Å; L181-V226 HydrophobicContact CD2-CG1 4.47Å; L181-V226 HydrophobicContact CD2-CG2 3.74Å; L181-V226 HydrophobicContact CG-CG2 4.47Å; I221-V226 HydrophobicContact CD1-CG2 3.59Å; I221-V226 HydrophobicContact CG1-CG2 3.76Å; T222-V226 WeakPolarHBondContact O-CG2 3.22Å; T222-V226 PolarHBondContact O-N 3.07Å; H223-V226 PolarHBondContact O-N 3.22Å; E224-V226 VanDerWaalsContact C-N 3.34Å; E224-V226 PolarHBondContact O-N 3.37Å; V226-A229 PolarHBondContact O-N 3.46Å; V226-I230 HydrophobicContact CG1-CD1 3.79Å; V226-I230 HydrophobicContact CG1-CG1 4.42Å; V226-I230 WeakPolarHBondContact O-CB 3.26Å; V226-I230 VanDerWaalsContact O-CG1 3.26Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 2.63Å
227	C	98.8	Very high	98.2	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-44.2	174.6	-77.7	0	0	0	0	111.8	L63 H223 E224 T231	L63-C227 HydrophobicContact CD1-CB 3.82Å; H223-C227 PolarHBondContact CE1-SG 3.27Å; H223-C227 PolarHBondContact NE2-SG 3.03Å; H223-C227 VanDerWaalsContact NE2-SG 3.44Å; H223-C227 WeakPolarHBondContact O-CB 3.47Å; H223-C227 PolarHBondContact O-N 3.1Å; H223-C227 PolarHBondContact O-SG 3.3Å; H223-C227 VanDerWaalsContact O-SG 3.36Å; E224-C227 PolarHBondContact O-N 2.76Å; C227-T231 VanDerWaalsContact O-CB 3.23Å; C227-T231 WeakPolarHBondContact O-CB 3.16Å; C227-T231 PolarHBondContact O-N 2.87Å; C227-T231 PolarHBondContact O-OG1 2.94Å
228	E	98.7	Very high	98.3	Very high	126 Å²	126	47 Å²	47	59%	0.589	27%	0.267	S	S	*	.	H	α-helix	trans	-61.6	-50.2	175.1	-175	175	-163.4	0	0	110.9	E224 I230 T231 E232	E224-E228 WeakPolarHBondContact O-CB 3.43Å; E224-E228 PolarHBondContact O-N 3.02Å; E228-I230 VanDerWaalsContact C-N 3.35Å; E228-I230 PolarHBondContact O-N 3.01Å; E228-T231 WeakPolarHBondContact O-CB 3.22Å; E228-T231 PolarHBondContact O-N 2.89Å; E228-T231 VanDerWaalsContact O-N 3.14Å; E228-E232 HydrophobicContact CG-CG 4.43Å; E228-E232 WeakPolarHBondContact O-CG 3.21Å; E228-E232 PolarHBondContact O-N 3.43Å
229	A	98.8	Very high	98.3	Very high	11 Å²	11	47.9 Å²	47.9	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-41.7	179.9	0	0	0	0	0	113	A134 L138 Q225 V226 A233	A134-A229 VanDerWaalsContact CB-C 3.46Å; A134-A229 HydrophobicContact CB-CB 4.02Å; A134-A229 WeakPolarHBondContact CB-O 3.46Å; L138-A229 HydrophobicContact CD1-CB 3.71Å; L138-A229 HydrophobicContact CD2-CB 4.06Å; L138-A229 HydrophobicContact CG-CB 3.69Å; Q225-A229 WeakPolarHBondContact O-CB 3.2Å; Q225-A229 PolarHBondContact O-N 3.33Å; V226-A229 PolarHBondContact O-N 3.46Å; A229-A233 WeakPolarHBondContact O-CB 3.46Å; A229-A233 PolarHBondContact O-N 3.35Å
230	I	98.9	Very high	98.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-42.3	176.1	-66.6	170.3	0	0	0	110.7	L61 L63 F113 F115 A134 L179 V226 E228 A233 F234	L61-I230 HydrophobicContact CD1-CG2 4.01Å; L61-I230 HydrophobicContact CD2-CG2 3.93Å; L63-I230 HydrophobicContact CD2-CD1 4.32Å; L63-I230 HydrophobicContact CD2-CG2 4.23Å; F113-I230 HydrophobicContact CB-CD1 4.45Å; F113-I230 HydrophobicContact CD1-CD1 4.36Å; F115-I230 HydrophobicContact CE2-CG2 4.48Å; F115-I230 HydrophobicContact CZ-CG2 3.74Å; A134-I230 HydrophobicContact CB-CB 4.32Å; A134-I230 HydrophobicContact CB-CG1 3.75Å; L179-I230 HydrophobicContact CD1-CD1 3.83Å; V226-I230 HydrophobicContact CG1-CD1 3.79Å; V226-I230 HydrophobicContact CG1-CG1 4.42Å; V226-I230 WeakPolarHBondContact O-CB 3.26Å; V226-I230 VanDerWaalsContact O-CG1 3.26Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 2.63Å; E228-I230 VanDerWaalsContact C-N 3.35Å; E228-I230 PolarHBondContact O-N 3.01Å; I230-A233 PolarHBondContact O-N 2.99Å; I230-F234 VanDerWaalsContact O-CB 3.25Å; I230-F234 WeakPolarHBondContact O-CB 3.36Å; I230-F234 PolarHBondContact O-N 2.96Å
231	T	98.9	Very high	98.4	Very high	14 Å²	14	50 Å²	50	9%	0.086	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-46.8	178	-63.7	0	0	0	0	111.4	L32 C227 E228 F234 F235	L32-T231 HydrophobicContact CD1-CG2 4.44Å; L32-T231 HydrophobicContact CD2-CG2 3.59Å; C227-T231 VanDerWaalsContact O-CB 3.23Å; C227-T231 WeakPolarHBondContact O-CB 3.16Å; C227-T231 PolarHBondContact O-N 2.87Å; C227-T231 PolarHBondContact O-OG1 2.94Å; E228-T231 WeakPolarHBondContact O-CB 3.22Å; E228-T231 PolarHBondContact O-N 2.89Å; E228-T231 VanDerWaalsContact O-N 3.14Å; T231-F234 WeakPolarHBondContact O-CB 3.34Å; T231-F234 PolarHBondContact O-N 2.99Å; T231-F235 HydrophobicContact CG2-CD2 3.72Å; T231-F235 HydrophobicContact CG2-CE1 4.42Å; T231-F235 HydrophobicContact CG2-CE2 3.24Å; T231-F235 HydrophobicContact CG2-CZ 3.65Å; T231-F235 WeakPolarHBondContact O-CD2 3.48Å; T231-F235 WeakPolarHBondContact O-CG 3.49Å; T231-F235 PolarHBondContact O-N 3.33Å
232	E	98.8	Very high	98.4	Very high	76 Å²	76	51.1 Å²	51.1	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-42	177.8	-70	-53	129.2	0	0	112.1	E228 F234 F235 A236 R241	E228-E232 HydrophobicContact CG-CG 4.43Å; E228-E232 WeakPolarHBondContact O-CG 3.21Å; E228-E232 PolarHBondContact O-N 3.43Å; E232-F234 VanDerWaalsContact C-N 3.31Å; E232-F234 PolarHBondContact O-N 3.37Å; E232-F235 PolarHBondContact O-N 3.42Å; E232-A236 VanDerWaalsContact O-CB 3.27Å; E232-A236 WeakPolarHBondContact O-CB 3.34Å; E232-A236 PolarHBondContact O-N 3.45Å; E232-R241 IonicContact OE1-CZ 2.71Å; E232-R241 IonicContact OE1-NH1 3.99Å; E232-R241 PolarHBondContact OE1-NH1 3.36Å; E232-R241 IonicContact OE1-NH2 3.67Å; E232-R241 PolarHBondContact OE1-NH2 2.81Å; E232-R241 IonicContact OE2-CZ 2.69Å; E232-R241 IonicContact OE2-NH1 3.42Å; E232-R241 PolarHBondContact OE2-NH1 3.48Å; E232-R241 IonicContact OE2-NH2 3.24Å
233	A	98.8	Very high	98.4	Very high	13 Å²	13	57 Å²	57	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-36.1	175	0	0	0	0	0	112.2	I130 N133 A134 A229 I230 H237	I130-A233 HydrophobicContact CG2-CB 3.83Å; I130-A233 WeakPolarHBondContact O-CB 3.32Å; N133-A233 HydrophobicContact CB-CB 4.24Å; A134-A233 HydrophobicContact CB-CB 4.02Å; A229-A233 WeakPolarHBondContact O-CB 3.46Å; A229-A233 PolarHBondContact O-N 3.35Å; I230-A233 PolarHBondContact O-N 2.99Å; A233-H237 WeakPolarHBondContact O-CB 3.36Å; A233-H237 PolarHBondContact O-N 2.99Å
234	F	98.7	Very high	98.3	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-47.9	175.1	172.8	-108.5	0	0	0	111.4	L30 R59 L61 F115 I130 I230 T231 E232 H237 Y238	L30-F234 HydrophobicContact CB-CE1 4.08Å; L30-F234 HydrophobicContact CB-CZ 4.24Å; L30-F234 HydrophobicContact CD1-CD1 4.43Å; L30-F234 HydrophobicContact CD1-CE1 3.87Å; L30-F234 HydrophobicContact CD1-CZ 4.23Å; L30-F234 HydrophobicContact CD2-CE1 4.27Å; L30-F234 HydrophobicContact CD2-CE2 4.46Å; L30-F234 HydrophobicContact CD2-CZ 3.8Å; L30-F234 HydrophobicContact CG-CE1 4.3Å; L30-F234 HydrophobicContact CG-CZ 4.31Å; R59-F234 HydrophobicContact CB-CE2 4.38Å; R59-F234 HydrophobicContact CB-CZ 4.37Å; L61-F234 HydrophobicContact CB-CD1 3.98Å; L61-F234 HydrophobicContact CB-CD2 4.28Å; L61-F234 HydrophobicContact CB-CE1 3.91Å; L61-F234 HydrophobicContact CB-CE2 4.21Å; L61-F234 HydrophobicContact CB-CG 4.16Å; L61-F234 HydrophobicContact CB-CZ 4.03Å; L61-F234 HydrophobicContact CD2-CB 3.86Å; L61-F234 HydrophobicContact CD2-CD1 3.97Å; L61-F234 HydrophobicContact CD2-CG 3.93Å; F115-F234 HydrophobicContact CD1-CD2 4.07Å; F115-F234 HydrophobicContact CD1-CE2 4.41Å; F115-F234 HydrophobicContact CE1-CB 4.4Å; F115-F234 AromaticContact CE1-CD2 3.86Å; F115-F234 HydrophobicContact CE1-CD2 3.86Å; F115-F234 HydrophobicContact CE1-CG 4.46Å; I130-F234 HydrophobicContact CD1-CD2 4.28Å; I130-F234 HydrophobicContact CG2-CB 4.14Å; I230-F234 VanDerWaalsContact O-CB 3.25Å; I230-F234 WeakPolarHBondContact O-CB 3.36Å; I230-F234 PolarHBondContact O-N 2.96Å; T231-F234 WeakPolarHBondContact O-CB 3.34Å; T231-F234 PolarHBondContact O-N 2.99Å; E232-F234 VanDerWaalsContact C-N 3.31Å; E232-F234 PolarHBondContact O-N 3.37Å; F234-H237 PolarHBondContact O-N 3.48Å; F234-Y238 AromaticContact CD2-CD2 3.75Å; F234-Y238 HydrophobicContact CD2-CD2 3.75Å; F234-Y238 AromaticContact CD2-CE2 3.63Å; F234-Y238 HydrophobicContact CD2-CE2 3.63Å; F234-Y238 AromaticContact CE2-CD2 3.59Å; F234-Y238 HydrophobicContact CE2-CD2 3.59Å; F234-Y238 AromaticContact CE2-CE2 3.39Å; F234-Y238 HydrophobicContact CE2-CE2 3.39Å; F234-Y238 HydrophobicContact CG-CD2 4.49Å; F234-Y238 HydrophobicContact CZ-CD2 4.22Å; F234-Y238 HydrophobicContact CZ-CE2 4.34Å; F234-Y238 WeakPolarHBondContact O-CD2 3.47Å; F234-Y238 PolarHBondContact O-N 3.25Å
235	F	98.7	Very high	98.3	Very high	9 Å²	9	56.8 Å²	56.8	4%	0.039	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-42.5	175.6	-68	-26.7	0	0	0	112.5	L30 L32 T231 E232 H237 Y238 G239 E240 R241 V242	L30-F235 HydrophobicContact CD1-CD1 4Å; L30-F235 HydrophobicContact CD1-CE1 4.46Å; L32-F235 HydrophobicContact CD2-CE2 4.49Å; L32-F235 HydrophobicContact CD2-CZ 3.81Å; T231-F235 HydrophobicContact CG2-CD2 3.72Å; T231-F235 HydrophobicContact CG2-CE1 4.42Å; T231-F235 HydrophobicContact CG2-CE2 3.24Å; T231-F235 HydrophobicContact CG2-CZ 3.65Å; T231-F235 WeakPolarHBondContact O-CD2 3.48Å; T231-F235 WeakPolarHBondContact O-CG 3.49Å; T231-F235 PolarHBondContact O-N 3.33Å; E232-F235 PolarHBondContact O-N 3.42Å; F235-H237 VanDerWaalsContact C-N 3.3Å; F235-H237 PolarHBondContact O-N 3.17Å; F235-Y238 PolarHBondContact O-N 3.23Å; F235-G239 WeakPolarHBondContact O-CA 3.07Å; F235-G239 PolarHBondContact O-N 3.35Å; F235-E240 WeakPolarHBondContact CA-O 3.48Å; F235-E240 WeakPolarHBondContact CB-O 3.37Å; F235-E240 WeakPolarHBondContact CD1-O 3.49Å; F235-R241 HydrophobicContact CB-CG 4.11Å; F235-R241 HydrophobicContact CD2-CB 4.44Å; F235-R241 HydrophobicContact CD2-CG 4.03Å; F235-R241 VanDerWaalsContact CD2-CZ 3.43Å; F235-R241 HydrophobicContact CE2-CB 4.49Å; F235-R241 HydrophobicContact CG-CB 4.46Å; F235-R241 HydrophobicContact CG-CG 4Å; F235-V242 HydrophobicContact CE1-CG2 3.91Å; F235-V242 HydrophobicContact CZ-CG2 4.22Å; F235-V242 WeakPolarHBondContact CZ-O 3.32Å
236	A	98.6	Very high	98.2	Very high	83 Å²	83	57.5 Å²	57.5	69%	0.686	31%	0.313	S	S	*	.	H	α-helix	trans	-62.1	-37.6	176.9	0	0	0	0	0	112.3	E232	E232-A236 VanDerWaalsContact O-CB 3.27Å; E232-A236 WeakPolarHBondContact O-CB 3.34Å; E232-A236 PolarHBondContact O-N 3.45Å
237	H	98.5	Very high	98.1	Very high	83 Å²	83	58.4 Å²	58.4	38%	0.384	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-44	179.5	-174	87.8	0	0	0	112.7	I126 I130 A233 F234 F235	I126-H237 WeakPolarHBondContact CG2-NE2 2.97Å; I130-H237 HydrophobicContact CD1-CB 3.88Å; I130-H237 HydrophobicContact CG1-CB 3.93Å; A233-H237 WeakPolarHBondContact O-CB 3.36Å; A233-H237 PolarHBondContact O-N 2.99Å; F234-H237 PolarHBondContact O-N 3.48Å; F235-H237 VanDerWaalsContact C-N 3.3Å; F235-H237 PolarHBondContact O-N 3.17Å
238	Y	97.8	Very high	97.9	Very high	58 Å²	58	59.5 Å²	59.5	23%	0.227	33%	0.325	C	S	.	.	H	α-helix	trans	-94.6	-9.1	-176.2	-69	-73.5	0	0	0	114.2	L30 R59 I130 F234 F235 E240	L30-Y238 HydrophobicContact CD2-CD1 4.33Å; L30-Y238 HydrophobicContact CD2-CD2 3.89Å; L30-Y238 HydrophobicContact CD2-CG 3.73Å; R59-Y238 HydrophobicContact CB-CE1 4.48Å; R59-Y238 HydrophobicContact CB-CE2 4.37Å; R59-Y238 HydrophobicContact CG-CD1 4.46Å; R59-Y238 HydrophobicContact CG-CE1 3.81Å; I130-Y238 HydrophobicContact CD1-CE2 4.12Å; F234-Y238 AromaticContact CD2-CD2 3.75Å; F234-Y238 HydrophobicContact CD2-CD2 3.75Å; F234-Y238 AromaticContact CD2-CE2 3.63Å; F234-Y238 HydrophobicContact CD2-CE2 3.63Å; F234-Y238 AromaticContact CE2-CD2 3.59Å; F234-Y238 HydrophobicContact CE2-CD2 3.59Å; F234-Y238 AromaticContact CE2-CE2 3.39Å; F234-Y238 HydrophobicContact CE2-CE2 3.39Å; F234-Y238 HydrophobicContact CG-CD2 4.49Å; F234-Y238 HydrophobicContact CZ-CD2 4.22Å; F234-Y238 HydrophobicContact CZ-CE2 4.34Å; F234-Y238 WeakPolarHBondContact O-CD2 3.47Å; F234-Y238 PolarHBondContact O-N 3.25Å; F235-Y238 PolarHBondContact O-N 3.23Å; Y238-E240 PolarHBondContact O-N 3.06Å
239	G	97.5	Very high	97.5	Very high	73 Å²	73	56.4 Å²	56.4	75%	0.753	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	19.9	177.6	0	0	0	0	0	114.4	F235	F235-G239 WeakPolarHBondContact O-CA 3.07Å; F235-G239 PolarHBondContact O-N 3.35Å
240	E	96.9	Very high	97.1	Very high	59 Å²	59	62.8 Å²	62.8	28%	0.276	35%	0.348	S	S	.	.			trans	-133.6	152.1	-178.2	177	170.7	-149	0	0	109.3	S28 T29 L30 F235 Y238	S28-E240 VanDerWaalsContact CA-OE1 3.25Å; S28-E240 WeakPolarHBondContact CA-OE1 3.46Å; S28-E240 WeakPolarHBondContact CB-OE1 3.27Å; S28-E240 VanDerWaalsContact OG-CD 3.27Å; S28-E240 PolarHBondContact OG-OE1 3.37Å; T29-E240 PolarHBondContact N-OE1 2.99Å; T29-E240 PolarHBondContact N-OE2 3.45Å; T29-E240 VanDerWaalsContact N-OE2 3.14Å; T29-E240 PolarHBondContact OG1-OE2 3.36Å; L30-E240 HydrophobicContact CD1-CB 3.75Å; L30-E240 HydrophobicContact CD1-CG 4.14Å; L30-E240 VanDerWaalsContact CD1-O 3.3Å; L30-E240 WeakPolarHBondContact CD1-O 3.47Å; L30-E240 HydrophobicContact CG-CB 4.03Å; L30-E240 HydrophobicContact CG-CG 4.1Å; F235-E240 WeakPolarHBondContact CA-O 3.48Å; F235-E240 WeakPolarHBondContact CB-O 3.37Å; F235-E240 WeakPolarHBondContact CD1-O 3.49Å; Y238-E240 PolarHBondContact O-N 3.06Å
241	R	98	Very high	96.5	Very high	149 Å²	149	70.7 Å²	70.7	56%	0.562	38%	0.383	S	S	*	.			trans	-129.5	146.4	176.7	-61	-174.5	71.9	87.7	0.8	110	E232 F235	E232-R241 IonicContact OE1-CZ 2.71Å; E232-R241 IonicContact OE1-NH1 3.99Å; E232-R241 PolarHBondContact OE1-NH1 3.36Å; E232-R241 IonicContact OE1-NH2 3.67Å; E232-R241 PolarHBondContact OE1-NH2 2.81Å; E232-R241 IonicContact OE2-CZ 2.69Å; E232-R241 IonicContact OE2-NH1 3.42Å; E232-R241 PolarHBondContact OE2-NH1 3.48Å; E232-R241 IonicContact OE2-NH2 3.24Å; F235-R241 HydrophobicContact CB-CG 4.11Å; F235-R241 HydrophobicContact CD2-CB 4.44Å; F235-R241 HydrophobicContact CD2-CG 4.03Å; F235-R241 VanDerWaalsContact CD2-CZ 3.43Å; F235-R241 HydrophobicContact CE2-CB 4.49Å; F235-R241 HydrophobicContact CG-CB 4.46Å; F235-R241 HydrophobicContact CG-CG 4Å
242	V	97.9	Very high	95.9	Very high	37 Å²	37	74.7 Å²	74.7	22%	0.224	41%	0.407	C	S	.	.			trans	-138	158	174.2	-71	0	0	0	0	110.9	S28 L30 L32 F235	S28-V242 WeakPolarHBondContact OG-CG1 3.24Å; L30-V242 HydrophobicContact CB-CG1 4.37Å; L30-V242 HydrophobicContact CB-CG2 4.23Å; L32-V242 HydrophobicContact CB-CG2 3.89Å; F235-V242 HydrophobicContact CE1-CG2 3.91Å; F235-V242 HydrophobicContact CZ-CG2 4.22Å; F235-V242 WeakPolarHBondContact CZ-O 3.32Å
243	E	97.5	Very high	95.2	Very high	179 Å²	179	72 Å²	72	84%	0.836	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-68.6	146	168	-66	-170.8	170.2	0	0	110.6
244	A	97.9	Very high	94.7	Very high	46 Å²	46	79.1 Å²	79.1	38%	0.38	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.4	175.5	0	0	0	0	0	110.5	L32 I34	L32-A244 HydrophobicContact CD2-CB 3.68Å; L32-A244 HydrophobicContact CG-CB 3.92Å; I34-A244 HydrophobicContact CD1-CB 3.88Å; I34-A244 HydrophobicContact CG1-CB 4.36Å
245	E	97.4	Very high	94.2	Very high	82 Å²	82	80.1 Å²	80.1	38%	0.383	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.4	169.6	-69.2	173.1	-104.8	0	0	109.4	R31 L32 L33 I34	R31-E245 WeakPolarHBondContact CG-OE1 3.48Å; R31-E245 IonicContact CZ-OE1 3.59Å; R31-E245 IonicContact CZ-OE2 2.81Å; R31-E245 IonicContact NE-OE1 2.74Å; R31-E245 PolarHBondContact NE-OE1 3.08Å; R31-E245 IonicContact NE-OE2 3.07Å; R31-E245 PolarHBondContact NE-OE2 2.94Å; R31-E245 IonicContact NH2-OE1 3.57Å; R31-E245 IonicContact NH2-OE2 3.35Å; R31-E245 PolarHBondContact NH2-OE2 3.36Å; L32-E245 PolarHBondContact O-N 3.44Å; L33-E245 WeakPolarHBondContact CA-O 3.5Å; L33-E245 HydrophobicContact CD2-CB 3.61Å; L33-E245 HydrophobicContact CD2-CG 4.38Å; I34-E245 PolarHBondContact N-O 3.01Å
246	I	97.3	Very high	93.7	Very high	95 Å²	95	83.2 Å²	83.2	49%	0.487	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.3	177.9	-52	-55.2	0	0	0	110.1	I34 D36	I34-I246 HydrophobicContact CB-CD1 3.84Å; I34-I246 HydrophobicContact CD1-CD1 4.13Å; I34-I246 HydrophobicContact CG1-CD1 4.37Å; I34-I246 HydrophobicContact CG2-CD1 4.4Å; I34-I246 WeakPolarHBondContact O-CA 3.36Å; D36-I246 WeakPolarHBondContact OD2-CG2 3.45Å
247	I	96.2	Very high	93.3	Very high	20 Å²	20	85.5 Å²	85.5	10%	0.103	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	103.1	176	-54.1	177.8	0	0	0	108	L33 I34 D36 F42 V46 F62 P253	L33-I247 HydrophobicContact CB-CD1 4.27Å; L33-I247 HydrophobicContact CD2-CD1 3.97Å; L33-I247 HydrophobicContact CD2-CG1 4.38Å; I34-I247 PolarHBondContact O-N 3.31Å; D36-I247 PolarHBondContact N-O 3.05Å; F42-I247 HydrophobicContact CE1-CG2 3.83Å; F42-I247 HydrophobicContact CZ-CG2 3.89Å; V46-I247 HydrophobicContact CG1-CD1 3.5Å; V46-I247 VanDerWaalsContact CG1-CD1 3.5Å; V46-I247 HydrophobicContact CG2-CG2 4.13Å; F62-I247 HydrophobicContact CE2-CD1 4.36Å; I247-P253 HydrophobicContact CG2-CB 4.45Å; I247-P253 HydrophobicContact CG2-CG 3.85Å
248	S	93.5	Very high	93	Very high	35 Å²	35	82.3 Å²	82.3	25%	0.245	44%	0.444	C	S	.	.			trans	-89	141.2	179.2	166.5	0	0	0	0	111.3	D250 K251	S248-D250 PolarHBondContact O-N 3.38Å; S248-D250 WeakPolarHBondContact OG-CB 3.45Å; S248-D250 PolarHBondContact OG-N 3.08Å; S248-D250 PolarHBondContact OG-OD2 2.81Å; S248-K251 VanDerWaalsContact O-O 3.06Å
249	P	90.8	Very high	92.6	Very high	61 Å²	61	85.8 Å²	85.8	40%	0.396	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.8	171.4	29.6	-34.8	0	0	0	113.6	F42 K251	F42-P249 HydrophobicContact CE2-CB 4.44Å; P249-K251 PolarHBondContact O-N 3.02Å
250	D	89.6	Confident	92.3	Very high	145 Å²	145	84 Å²	84	78%	0.775	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.8	-177.3	-59.4	-39.7	0	0	0	113	S248	S248-D250 PolarHBondContact O-N 3.38Å; S248-D250 WeakPolarHBondContact OG-CB 3.45Å; S248-D250 PolarHBondContact OG-N 3.08Å; S248-D250 PolarHBondContact OG-OD2 2.81Å
251	K	87.7	Confident	91.9	Very high	167 Å²	167	82.6 Å²	82.6	73%	0.726	44%	0.439	S	S	*	.	S	Bend	trans	-131	123.8	177.3	-65.2	179.4	-176.7	174.8	0	108.3	S248 P249 P253	S248-K251 VanDerWaalsContact O-O 3.06Å; P249-K251 PolarHBondContact O-N 3.02Å; K251-P253 VanDerWaalsContact O-CD 3.29Å; K251-P253 WeakPolarHBondContact O-CD 3.17Å; K251-P253 VanDerWaalsContact O-N 3.1Å
252	T	85.4	Confident	91.5	Very high	97 Å²	97	76.7 Å²	76.7	60%	0.595	42%	0.418	S	S	*	.			trans	-52.1	121.2	171.6	-53.5	0	0	0	0	108.7	D254 F258 E259	T252-D254 PolarHBondContact O-N 3.21Å; T252-F258 HydrophobicContact CG2-CD1 3.8Å; T252-F258 HydrophobicContact CG2-CE1 4.23Å; T252-E259 HydrophobicContact CG2-CG 4.37Å
253	P	84.1	Confident	91.1	Very high	19 Å²	19	79.3 Å²	79.3	12%	0.123	43%	0.429	C	S	.	.			trans	-56.1	132.9	177.8	-26.7	35.1	0	0	0	110.5	F42 V46 I247 K251 L255 F258	F42-P253 HydrophobicContact CE2-CG 3.99Å; F42-P253 HydrophobicContact CZ-CG 3.62Å; V46-P253 HydrophobicContact CG2-CG 4.21Å; I247-P253 HydrophobicContact CG2-CB 4.45Å; I247-P253 HydrophobicContact CG2-CG 3.85Å; K251-P253 VanDerWaalsContact O-CD 3.29Å; K251-P253 WeakPolarHBondContact O-CD 3.17Å; K251-P253 VanDerWaalsContact O-N 3.1Å; P253-L255 HydrophobicContact CB-CB 4.39Å; P253-L255 HydrophobicContact CB-CD1 3.89Å; P253-L255 HydrophobicContact CB-CG 3.91Å; P253-L255 PolarHBondContact O-N 3.2Å; P253-F258 HydrophobicContact CB-CD2 4.46Å; P253-F258 HydrophobicContact CB-CG 4.49Å; P253-F258 HydrophobicContact CG-CD1 4.44Å; P253-F258 HydrophobicContact CG-CD2 4.31Å; P253-F258 HydrophobicContact CG-CE1 4.19Å; P253-F258 HydrophobicContact CG-CE2 4.06Å; P253-F258 HydrophobicContact CG-CG 4.49Å; P253-F258 HydrophobicContact CG-CZ 3.99Å
254	D	88.9	Confident	90.7	Very high	164 Å²	164	75.1 Å²	75.1	88%	0.877	41%	0.413	S	S	*	.			trans	-75.8	65.5	172.1	-171.2	16.9	0	0	0	109.8	T252	T252-D254 PolarHBondContact O-N 3.21Å
255	L	88.3	Confident	90.3	Very high	21 Å²	21	73.9 Å²	73.9	11%	0.11	40%	0.4	C	S	.	.			trans	-121.2	121.3	179.6	-65.5	177.7	0	0	0	108.4	V46 C49 I50 P253 N257 F258	V46-L255 HydrophobicContact CG1-CD1 4.34Å; C49-L255 HydrophobicContact CB-CB 3.91Å; C49-L255 HydrophobicContact CB-CD1 3.92Å; C49-L255 HydrophobicContact CB-CG 4.47Å; I50-L255 HydrophobicContact CD1-CD1 3.84Å; I50-L255 HydrophobicContact CD1-CD2 3.57Å; I50-L255 HydrophobicContact CD1-CG 4.38Å; I50-L255 HydrophobicContact CG1-CD1 4.05Å; P253-L255 HydrophobicContact CB-CB 4.39Å; P253-L255 HydrophobicContact CB-CD1 3.89Å; P253-L255 HydrophobicContact CB-CG 3.91Å; P253-L255 PolarHBondContact O-N 3.2Å; L255-N257 PolarHBondContact O-N 3.16Å; L255-F258 HydrophobicContact CB-CB 4.25Å; L255-F258 VanDerWaalsContact O-CB 3.26Å; L255-F258 WeakPolarHBondContact O-CB 3.47Å; L255-F258 PolarHBondContact O-N 3.07Å
256	P	88.4	Confident	89.8	Confident	75 Å²	75	73 Å²	73	49%	0.487	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	131.5	176.3	-22.8	15.2	0	0	0	113.5	C49 Q53 F258	C49-P256 PolarHBondContact SG-O 3.15Å; C49-P256 VanDerWaalsContact SG-O 3.39Å; Q53-P256 HydrophobicContact CG-CG 4.46Å; Q53-P256 VanDerWaalsContact NE2-CG 3.3Å; Q53-P256 PolarHBondContact NE2-O 3.32Å; P256-F258 VanDerWaalsContact C-N 3.28Å; P256-F258 PolarHBondContact O-N 3.08Å
257	N	89.7	Confident	89.2	Confident	131 Å²	131	71.9 Å²	71.9	70%	0.701	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	18.7	-178.9	-54.9	-22.8	0	0	0	116.1	L255 G260 N261	L255-N257 PolarHBondContact O-N 3.16Å; N257-G260 PolarHBondContact O-N 3.28Å; N257-N261 PolarHBondContact O-N 2.71Å; N257-N261 VanDerWaalsContact O-N 3.08Å
258	F	91.8	Very high	88.6	Confident	15 Å²	15	74.1 Å²	74.1	7%	0.066	40%	0.401	C	S	.	.	H	α-helix	trans	-57.5	-51.1	178.3	179.7	-100.2	0	0	0	113.1	F42 A45 V46 C49 T252 P253 L255 P256 G260 N261 M262	F42-F258 HydrophobicContact CD2-CE1 4.35Å; F42-F258 AromaticContact CD2-CZ 3.59Å; F42-F258 HydrophobicContact CD2-CZ 3.59Å; F42-F258 HydrophobicContact CE2-CE1 4.23Å; F42-F258 AromaticContact CE2-CZ 3.65Å; F42-F258 HydrophobicContact CE2-CZ 3.65Å; F42-F258 HydrophobicContact CG-CZ 4.23Å; F42-F258 HydrophobicContact CZ-CZ 4.34Å; A45-F258 HydrophobicContact CB-CD2 4.02Å; A45-F258 HydrophobicContact CB-CE2 3.62Å; A45-F258 HydrophobicContact CB-CZ 4.33Å; V46-F258 HydrophobicContact CG2-CD2 4.35Å; V46-F258 HydrophobicContact CG2-CE2 3.62Å; V46-F258 HydrophobicContact CG2-CZ 4.41Å; C49-F258 VanDerWaalsContact SG-CA 3.55Å; T252-F258 HydrophobicContact CG2-CD1 3.8Å; T252-F258 HydrophobicContact CG2-CE1 4.23Å; P253-F258 HydrophobicContact CB-CD2 4.46Å; P253-F258 HydrophobicContact CB-CG 4.49Å; P253-F258 HydrophobicContact CG-CD1 4.44Å; P253-F258 HydrophobicContact CG-CD2 4.31Å; P253-F258 HydrophobicContact CG-CE1 4.19Å; P253-F258 HydrophobicContact CG-CE2 4.06Å; P253-F258 HydrophobicContact CG-CG 4.49Å; P253-F258 HydrophobicContact CG-CZ 3.99Å; L255-F258 HydrophobicContact CB-CB 4.25Å; L255-F258 VanDerWaalsContact O-CB 3.26Å; L255-F258 WeakPolarHBondContact O-CB 3.47Å; L255-F258 PolarHBondContact O-N 3.07Å; P256-F258 VanDerWaalsContact C-N 3.28Å; P256-F258 PolarHBondContact O-N 3.08Å; F258-G260 VanDerWaalsContact C-N 3.29Å; F258-G260 PolarHBondContact O-N 2.8Å; F258-N261 PolarHBondContact O-N 2.96Å; F258-N261 VanDerWaalsContact O-N 3.16Å; F258-M262 HydrophobicContact CD1-CG 4.14Å; F258-M262 HydrophobicContact CE1-CG 3.59Å; F258-M262 HydrophobicContact CE1-SD 4.42Å; F258-M262 HydrophobicContact CE2-CG 4.1Å; F258-M262 HydrophobicContact CE2-SD 4.39Å; F258-M262 HydrophobicContact CZ-CG 3.56Å; F258-M262 HydrophobicContact CZ-SD 3.88Å; F258-M262 PolarHBondContact O-N 3.18Å
259	E	90.4	Very high	87.9	Confident	131 Å²	131	74 Å²	74	61%	0.612	40%	0.396	S	S	*	.	H	α-helix	trans	-59.7	-39.4	179.8	-65.2	-178.2	169.5	0	0	112.3	T252 M262 I263	T252-E259 HydrophobicContact CG2-CG 4.37Å; E259-M262 WeakPolarHBondContact O-CB 3.3Å; E259-M262 PolarHBondContact O-N 3.43Å; E259-I263 VanDerWaalsContact O-CG1 3.27Å; E259-I263 WeakPolarHBondContact O-CG1 3.43Å; E259-I263 PolarHBondContact O-N 3.27Å
260	G	89.7	Confident	87.2	Confident	35 Å²	35	78.3 Å²	78.3	36%	0.361	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-46	175.6	0	0	0	0	0	112.2	N257 F258 M262 I263 D264	N257-G260 PolarHBondContact O-N 3.28Å; F258-G260 VanDerWaalsContact C-N 3.29Å; F258-G260 PolarHBondContact O-N 2.8Å; G260-M262 VanDerWaalsContact C-N 3.33Å; G260-M262 PolarHBondContact O-N 3.04Å; G260-I263 PolarHBondContact O-N 3.06Å; G260-D264 WeakPolarHBondContact O-CB 3.49Å; G260-D264 PolarHBondContact O-N 2.84Å
261	N	89.6	Confident	86.6	Confident	31 Å²	31	77.4 Å²	77.4	17%	0.166	40%	0.396	C	S	.	.	H	α-helix	trans	-64.4	-37.4	177.4	-73.9	-15.8	0	0	0	112.4	A45 C49 N257 F258 D264 L265	A45-N261 HydrophobicContact CB-CB 3.94Å; C49-N261 PolarHBondContact SG-ND2 3.08Å; N257-N261 PolarHBondContact O-N 2.71Å; N257-N261 VanDerWaalsContact O-N 3.08Å; F258-N261 PolarHBondContact O-N 2.96Å; F258-N261 VanDerWaalsContact O-N 3.16Å; N261-D264 PolarHBondContact O-N 3.12Å; N261-L265 WeakPolarHBondContact O-CG 3.32Å; N261-L265 PolarHBondContact O-N 3.37Å
262	M	90.3	Very high	85.8	Confident	25 Å²	25	70 Å²	70	12%	0.123	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-52.7	174.2	-78.7	-63.5	-70.3	0	0	111.4	W41 F42 A45 F258 E259 G260 D264 L265 E266	W41-M262 HydrophobicContact CB-CE 4.26Å; W41-M262 HydrophobicContact CB-SD 4.29Å; W41-M262 VanDerWaalsContact O-SD 3.4Å; F42-M262 WeakPolarHBondContact CA-SD 3.17Å; F42-M262 HydrophobicContact CB-CE 4.3Å; F42-M262 HydrophobicContact CB-SD 4.27Å; F42-M262 PolarHBondContact N-SD 2.99Å; F42-M262 VanDerWaalsContact N-SD 3.43Å; A45-M262 HydrophobicContact CB-CG 3.8Å; A45-M262 HydrophobicContact CB-SD 3.57Å; A45-M262 VanDerWaalsContact CB-SD 3.57Å; F258-M262 HydrophobicContact CD1-CG 4.14Å; F258-M262 HydrophobicContact CE1-CG 3.59Å; F258-M262 HydrophobicContact CE1-SD 4.42Å; F258-M262 HydrophobicContact CE2-CG 4.1Å; F258-M262 HydrophobicContact CE2-SD 4.39Å; F258-M262 HydrophobicContact CZ-CG 3.56Å; F258-M262 HydrophobicContact CZ-SD 3.88Å; F258-M262 PolarHBondContact O-N 3.18Å; E259-M262 WeakPolarHBondContact O-CB 3.3Å; E259-M262 PolarHBondContact O-N 3.43Å; G260-M262 VanDerWaalsContact C-N 3.33Å; G260-M262 PolarHBondContact O-N 3.04Å; M262-D264 VanDerWaalsContact C-N 3.28Å; M262-D264 PolarHBondContact O-N 2.99Å; M262-L265 PolarHBondContact O-N 2.81Å; M262-E266 WeakPolarHBondContact O-CG 3.45Å; M262-E266 PolarHBondContact O-N 3.04Å
263	I	89.3	Confident	85	Confident	91 Å²	91	67.9 Å²	67.9	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-41.5	179	-69.4	165.9	0	0	0	110.7	E259 G260 E266 N267	E259-I263 VanDerWaalsContact O-CG1 3.27Å; E259-I263 WeakPolarHBondContact O-CG1 3.43Å; E259-I263 PolarHBondContact O-N 3.27Å; G260-I263 PolarHBondContact O-N 3.06Å; I263-E266 PolarHBondContact O-N 2.94Å; I263-N267 VanDerWaalsContact CG2-ND2 3.3Å; I263-N267 WeakPolarHBondContact CG2-ND2 3.39Å; I263-N267 VanDerWaalsContact O-CB 3.23Å; I263-N267 WeakPolarHBondContact O-CB 3.38Å; I263-N267 PolarHBondContact O-N 3.47Å; I263-N267 PolarHBondContact O-ND2 3.02Å
264	D	88.9	Confident	84.3	Confident	91 Å²	91	71.5 Å²	71.5	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-41.6	177.8	-78.5	-11.2	0	0	0	112.4	G260 N261 M262 N267 Q268	G260-D264 WeakPolarHBondContact O-CB 3.49Å; G260-D264 PolarHBondContact O-N 2.84Å; N261-D264 PolarHBondContact O-N 3.12Å; M262-D264 VanDerWaalsContact C-N 3.28Å; M262-D264 PolarHBondContact O-N 2.99Å; D264-N267 PolarHBondContact O-N 3.14Å; D264-Q268 VanDerWaalsContact O-CG 3.26Å; D264-Q268 WeakPolarHBondContact O-CG 3.49Å; D264-Q268 PolarHBondContact O-N 3.17Å
265	L	88.6	Confident	83.2	Confident	21 Å²	21	67.8 Å²	67.8	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-67.9	-43.2	178.3	-75.3	165.5	0	0	0	112	W41 L44 A45 R96 N261 M262 Q268 E269	W41-L265 HydrophobicContact CB-CB 4.1Å; W41-L265 HydrophobicContact CB-CD1 4.46Å; W41-L265 HydrophobicContact CG-CB 4.21Å; W41-L265 WeakPolarHBondContact O-CD1 3.33Å; L44-L265 HydrophobicContact CB-CD1 3.78Å; L44-L265 HydrophobicContact CB-CD2 4.5Å; L44-L265 HydrophobicContact CD1-CD2 4.48Å; A45-L265 HydrophobicContact CB-CD1 4.01Å; R96-L265 WeakPolarHBondContact O-CD2 3.39Å; N261-L265 WeakPolarHBondContact O-CG 3.32Å; N261-L265 PolarHBondContact O-N 3.37Å; M262-L265 PolarHBondContact O-N 2.81Å; L265-Q268 PolarHBondContact O-N 3.23Å; L265-E269 PolarHBondContact O-N 3.42Å
266	E	86.3	Confident	81.9	Confident	64 Å²	64	68.1 Å²	68.1	30%	0.299	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.2	-72.3	179.9	-170.2	0	0	111.6	W41 M262 I263 Q268 E269 R270	W41-E266 HydrophobicContact CD2-CG 4.06Å; W41-E266 HydrophobicContact CE3-CG 3.55Å; W41-E266 HydrophobicContact CZ3-CG 3.96Å; M262-E266 WeakPolarHBondContact O-CG 3.45Å; M262-E266 PolarHBondContact O-N 3.04Å; I263-E266 PolarHBondContact O-N 2.94Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; E266-Q268 PolarHBondContact O-N 2.86Å; E266-E269 PolarHBondContact O-N 2.88Å; E266-R270 WeakPolarHBondContact O-CG 3.3Å; E266-R270 PolarHBondContact O-N 3.31Å
267	N	86.2	Confident	80.6	Confident	70 Å²	70	68.2 Å²	68.2	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-36.6	177.3	-76.6	-28.3	0	0	0	112	I263 D264 E269 R270 E271	I263-N267 VanDerWaalsContact CG2-ND2 3.3Å; I263-N267 WeakPolarHBondContact CG2-ND2 3.39Å; I263-N267 VanDerWaalsContact O-CB 3.23Å; I263-N267 WeakPolarHBondContact O-CB 3.38Å; I263-N267 PolarHBondContact O-N 3.47Å; I263-N267 PolarHBondContact O-ND2 3.02Å; D264-N267 PolarHBondContact O-N 3.14Å; N267-E269 VanDerWaalsContact C-N 3.3Å; N267-E269 PolarHBondContact O-N 3.34Å; N267-R270 CarbonylContact O-C 3.6Å; N267-R270 PolarHBondContact O-N 3.49Å; N267-E271 WeakPolarHBondContact O-CB 3.23Å; N267-E271 WeakPolarHBondContact O-CG 3.29Å; N267-E271 PolarHBondContact O-N 2.76Å
268	Q	82.6	Confident	79.2	Confident	67 Å²	67	64.8 Å²	64.8	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-39.3	174	-78.4	174.6	31.9	0	0	112.1	D264 L265 E266 I272	D264-Q268 VanDerWaalsContact O-CG 3.26Å; D264-Q268 WeakPolarHBondContact O-CG 3.49Å; D264-Q268 PolarHBondContact O-N 3.17Å; L265-Q268 PolarHBondContact O-N 3.23Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; E266-Q268 PolarHBondContact O-N 2.86Å; Q268-I272 WeakPolarHBondContact O-CB 3.49Å; Q268-I272 VanDerWaalsContact O-CD1 3.3Å; Q268-I272 WeakPolarHBondContact O-CD1 3.39Å; Q268-I272 WeakPolarHBondContact O-CG1 3.38Å; Q268-I272 PolarHBondContact O-N 3.09Å
269	E	78.1	Confident	77.7	Confident	33 Å²	33	70.2 Å²	70.2	15%	0.154	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-47.9	173	-169.5	-171.3	-130.6	0	0	110.7	W41 L94 L265 E266 N267 E271 I272 I273	W41-E269 WeakPolarHBondContact CH2-OE2 3.3Å; W41-E269 HydrophobicContact CZ2-CB 4.15Å; W41-E269 HydrophobicContact CZ2-CG 4.26Å; W41-E269 WeakPolarHBondContact CZ2-OE1 3.26Å; W41-E269 WeakPolarHBondContact CZ2-OE2 3.2Å; L94-E269 HydrophobicContact CB-CG 4.28Å; L94-E269 PolarHBondContact N-OE1 3.07Å; L265-E269 PolarHBondContact O-N 3.42Å; E266-E269 PolarHBondContact O-N 2.88Å; N267-E269 VanDerWaalsContact C-N 3.3Å; N267-E269 PolarHBondContact O-N 3.34Å; E269-E271 VanDerWaalsContact C-N 3.32Å; E269-E271 PolarHBondContact O-N 3.24Å; E269-I272 CarbonylContact O-C 3.55Å; E269-I272 WeakPolarHBondContact O-CB 3.13Å; E269-I272 PolarHBondContact O-N 3.37Å; E269-I272 VanDerWaalsContact O-N 3.14Å; E269-I273 HydrophobicContact CG-CD1 3.86Å; E269-I273 HydrophobicContact CG-CG1 4.4Å; E269-I273 WeakPolarHBondContact O-CG1 3.44Å; E269-I273 PolarHBondContact O-N 3.28Å
270	R	77	Confident	76.4	Confident	152 Å²	152	69.7 Å²	69.7	57%	0.574	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-41.1	178.3	-68.9	177.7	-173.8	-89.8	0.6	112.4	E266 N267 I273 N274	E266-R270 WeakPolarHBondContact O-CG 3.3Å; E266-R270 PolarHBondContact O-N 3.31Å; N267-R270 CarbonylContact O-C 3.6Å; N267-R270 PolarHBondContact O-N 3.49Å; R270-I273 PolarHBondContact O-N 3.24Å; R270-N274 VanDerWaalsContact O-CB 3.26Å; R270-N274 WeakPolarHBondContact O-CB 3.46Å; R270-N274 PolarHBondContact O-N 2.77Å; R270-N274 PolarHBondContact O-ND2 3.4Å
271	E	76.1	Confident	75.2	Confident	126 Å²	126	72.2 Å²	72.2	59%	0.589	35%	0.352	S	S	*	.	H	α-helix	trans	-63.5	-42.8	175.8	-78.8	-175.8	174	0	0	111.5	N267 E269 N274 L275	N267-E271 WeakPolarHBondContact O-CB 3.23Å; N267-E271 WeakPolarHBondContact O-CG 3.29Å; N267-E271 PolarHBondContact O-N 2.76Å; E269-E271 VanDerWaalsContact C-N 3.32Å; E269-E271 PolarHBondContact O-N 3.24Å; E271-N274 PolarHBondContact O-N 3.23Å; E271-L275 WeakPolarHBondContact O-CB 3.41Å; E271-L275 VanDerWaalsContact O-CG 3.25Å; E271-L275 WeakPolarHBondContact O-CG 3.26Å; E271-L275 PolarHBondContact O-N 3.31Å
272	I	71.6	Confident	74	Confident	11 Å²	11	74.6 Å²	74.6	6%	0.056	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-52.6	171.7	-69.3	161.4	0	0	0	108.5	P78 W79 L94 Q268 E269 N274 L275 M276	P78-I272 HydrophobicContact CB-CG2 4.13Å; P78-I272 HydrophobicContact CG-CB 4.37Å; P78-I272 HydrophobicContact CG-CD1 4.13Å; P78-I272 HydrophobicContact CG-CG1 4.09Å; P78-I272 HydrophobicContact CG-CG2 3.38Å; W79-I272 HydrophobicContact CH2-CG2 4.35Å; W79-I272 HydrophobicContact CZ2-CG2 3.85Å; W79-I272 WeakPolarHBondContact CZ2-O 3.34Å; L94-I272 HydrophobicContact CD2-CB 4.36Å; L94-I272 HydrophobicContact CD2-CD1 3.87Å; L94-I272 HydrophobicContact CD2-CG2 3.66Å; Q268-I272 WeakPolarHBondContact O-CB 3.49Å; Q268-I272 VanDerWaalsContact O-CD1 3.3Å; Q268-I272 WeakPolarHBondContact O-CD1 3.39Å; Q268-I272 WeakPolarHBondContact O-CG1 3.38Å; Q268-I272 PolarHBondContact O-N 3.09Å; E269-I272 CarbonylContact O-C 3.55Å; E269-I272 WeakPolarHBondContact O-CB 3.13Å; E269-I272 PolarHBondContact O-N 3.37Å; E269-I272 VanDerWaalsContact O-N 3.14Å; I272-N274 VanDerWaalsContact C-N 3.33Å; I272-N274 PolarHBondContact O-N 3.2Å; I272-L275 PolarHBondContact O-N 3.02Å; I272-M276 WeakPolarHBondContact O-CG 3.44Å; I272-M276 PolarHBondContact O-N 3.26Å
273	I	69.3	Low	72.8	Confident	52 Å²	52	81.2 Å²	81.2	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-43	-179.9	-65.5	167.6	0	0	0	111.8	E269 R270 M276 L277	E269-I273 HydrophobicContact CG-CD1 3.86Å; E269-I273 HydrophobicContact CG-CG1 4.4Å; E269-I273 WeakPolarHBondContact O-CG1 3.44Å; E269-I273 PolarHBondContact O-N 3.28Å; R270-I273 PolarHBondContact O-N 3.24Å; I273-M276 HydrophobicContact CB-CE 4.07Å; I273-M276 HydrophobicContact CG1-CE 3.9Å; I273-M276 HydrophobicContact CG2-CE 4Å; I273-M276 WeakPolarHBondContact O-CA 3.08Å; I273-M276 WeakPolarHBondContact O-CB 3.37Å; I273-M276 WeakPolarHBondContact O-CG 3.49Å; I273-M276 PolarHBondContact O-N 3.29Å; I273-L277 PolarHBondContact O-N 2.88Å
274	N	69	Low	71.6	Confident	95 Å²	95	77.5 Å²	77.5	51%	0.508	38%	0.376	S	S	.	.	H	α-helix	trans	-67.8	-37.7	-179.7	-74.8	-26.3	0	0	0	113.1	R270 E271 I272 M276 L277 S278	R270-N274 VanDerWaalsContact O-CB 3.26Å; R270-N274 WeakPolarHBondContact O-CB 3.46Å; R270-N274 PolarHBondContact O-N 2.77Å; R270-N274 PolarHBondContact O-ND2 3.4Å; E271-N274 PolarHBondContact O-N 3.23Å; I272-N274 VanDerWaalsContact C-N 3.33Å; I272-N274 PolarHBondContact O-N 3.2Å; N274-M276 PolarHBondContact O-N 2.96Å; N274-L277 PolarHBondContact O-N 3.12Å; N274-L277 VanDerWaalsContact O-N 3.12Å; N274-S278 PolarHBondContact O-N 3.27Å
275	L	65.4	Low	70.6	Confident	87 Å²	87	75.2 Å²	75.2	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-27.2	171	-76.7	166.3	0	0	0	111.6	W79 E271 I272 S278 Q279	W79-L275 HydrophobicContact CH2-CB 3.56Å; W79-L275 HydrophobicContact CH2-CD1 4.18Å; W79-L275 HydrophobicContact CZ2-CB 3.95Å; E271-L275 WeakPolarHBondContact O-CB 3.41Å; E271-L275 VanDerWaalsContact O-CG 3.25Å; E271-L275 WeakPolarHBondContact O-CG 3.26Å; E271-L275 PolarHBondContact O-N 3.31Å; I272-L275 PolarHBondContact O-N 3.02Å; L275-S278 PolarHBondContact O-OG 3.14Å; L275-Q279 WeakPolarHBondContact O-CB 3.25Å; L275-Q279 WeakPolarHBondContact O-CG 3.33Å; L275-Q279 PolarHBondContact O-N 3.18Å; L275-Q279 VanDerWaalsContact O-N 3.14Å
276	M	60.9	Low	69.7	Low	27 Å²	27	76.9 Å²	76.9	13%	0.133	39%	0.386	C	S	.	.	H	α-helix	trans	-65.5	-48.5	171.2	-52.9	-155.8	-87.4	0	0	112.2	W79 I272 I273 N274 Q279 R280	W79-M276 HydrophobicContact CZ2-CG 3.58Å; W79-M276 PolarHBondContact NE1-SD 2.66Å; I272-M276 WeakPolarHBondContact O-CG 3.44Å; I272-M276 PolarHBondContact O-N 3.26Å; I273-M276 HydrophobicContact CB-CE 4.07Å; I273-M276 HydrophobicContact CG1-CE 3.9Å; I273-M276 HydrophobicContact CG2-CE 4Å; I273-M276 WeakPolarHBondContact O-CA 3.08Å; I273-M276 WeakPolarHBondContact O-CB 3.37Å; I273-M276 WeakPolarHBondContact O-CG 3.49Å; I273-M276 PolarHBondContact O-N 3.29Å; N274-M276 PolarHBondContact O-N 2.96Å; M276-Q279 PolarHBondContact O-N 3.44Å; M276-R280 WeakPolarHBondContact O-CB 3.38Å; M276-R280 PolarHBondContact O-N 2.87Å
277	L	61.5	Low	68.9	Low	77 Å²	77	74.8 Å²	74.8	40%	0.403	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-44.9	-177.4	-69.2	170.9	0	0	0	109.7	I273 N274 Q279 R280 I281	I273-L277 PolarHBondContact O-N 2.88Å; N274-L277 PolarHBondContact O-N 3.12Å; N274-L277 VanDerWaalsContact O-N 3.12Å; L277-Q279 PolarHBondContact O-N 3.45Å; L277-R280 PolarHBondContact O-N 3.45Å; L277-I281 WeakPolarHBondContact O-CB 3.47Å; L277-I281 WeakPolarHBondContact O-CD1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.27Å; L277-I281 PolarHBondContact O-N 2.86Å
278	S	60.3	Low	68.3	Low	59 Å²	59	76.3 Å²	76.3	41%	0.413	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-41.4	179.2	71.9	0	0	0	0	112.9	N274 L275 I281 S282	N274-S278 PolarHBondContact O-N 3.27Å; L275-S278 PolarHBondContact O-OG 3.14Å; S278-I281 PolarHBondContact O-N 2.95Å; S278-S282 VanDerWaalsContact O-CB 3.31Å; S278-S282 WeakPolarHBondContact O-CB 3.28Å; S278-S282 PolarHBondContact O-N 3.33Å
279	Q	61.4	Low	67.9	Low	129 Å²	129	79.6 Å²	79.6	60%	0.603	40%	0.397	S	S	*	.	H	α-helix	trans	-69.7	-37.3	175.9	-73.2	-159	15.3	0	0	112.9	L275 M276 L277 S282 W283	L275-Q279 WeakPolarHBondContact O-CB 3.25Å; L275-Q279 WeakPolarHBondContact O-CG 3.33Å; L275-Q279 PolarHBondContact O-N 3.18Å; L275-Q279 VanDerWaalsContact O-N 3.14Å; M276-Q279 PolarHBondContact O-N 3.44Å; L277-Q279 PolarHBondContact O-N 3.45Å; Q279-S282 PolarHBondContact O-N 2.94Å; Q279-W283 WeakPolarHBondContact O-CB 3.41Å; Q279-W283 PolarHBondContact O-N 3.48Å
280	R	63	Low	67.8	Low	121 Å²	121	87.9 Å²	87.9	46%	0.457	43%	0.427	S	S	.	.	H	α-helix	trans	-62.2	-46.3	172.1	-86.9	-179	158.4	177.9	-4.1	111.1	M276 L277 W283 L284	M276-R280 WeakPolarHBondContact O-CB 3.38Å; M276-R280 PolarHBondContact O-N 2.87Å; L277-R280 PolarHBondContact O-N 3.45Å; R280-W283 PolarHBondContact O-N 3.49Å; R280-L284 VanDerWaalsContact O-CB 3.27Å; R280-L284 WeakPolarHBondContact O-CB 3.25Å; R280-L284 WeakPolarHBondContact O-CD1 3.33Å; R280-L284 VanDerWaalsContact O-CG 3.25Å; R280-L284 WeakPolarHBondContact O-CG 3.14Å; R280-L284 PolarHBondContact O-N 2.84Å
281	I	63.8	Low	68.1	Low	88 Å²	88	86.5 Å²	86.5	45%	0.451	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-44.9	177.4	-68.5	163.8	0	0	0	110.2	L277 S278 L284 A285	L277-I281 WeakPolarHBondContact O-CB 3.47Å; L277-I281 WeakPolarHBondContact O-CD1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.27Å; L277-I281 PolarHBondContact O-N 2.86Å; S278-I281 PolarHBondContact O-N 2.95Å; I281-L284 PolarHBondContact O-N 3.43Å; I281-A285 WeakPolarHBondContact O-CB 3.36Å; I281-A285 PolarHBondContact O-N 3.45Å
282	S	64.9	Low	68.3	Low	80 Å²	80	89.7 Å²	89.7	56%	0.559	44%	0.438	S	S	*	.	H	α-helix	trans	-62.6	-47.3	177.4	-179.9	0	0	0	0	112.2	S278 Q279 L284 A285 A286	S278-S282 VanDerWaalsContact O-CB 3.31Å; S278-S282 WeakPolarHBondContact O-CB 3.28Å; S278-S282 PolarHBondContact O-N 3.33Å; Q279-S282 PolarHBondContact O-N 2.94Å; S282-L284 VanDerWaalsContact C-N 3.35Å; S282-L284 PolarHBondContact O-N 2.99Å; S282-A285 PolarHBondContact O-N 3.23Å; S282-A286 WeakPolarHBondContact O-CB 3.43Å; S282-A286 PolarHBondContact O-N 3.23Å
283	W	65.1	Low	68.8	Low	164 Å²	164	91 Å²	91	62%	0.621	45%	0.445	S	S	*	.	H	α-helix	trans	-62.4	-43.2	176.8	-177.3	80	0	0	0	111.3	Q279 R280 A286 V287	Q279-W283 WeakPolarHBondContact O-CB 3.41Å; Q279-W283 PolarHBondContact O-N 3.48Å; R280-W283 PolarHBondContact O-N 3.49Å; W283-A286 CarbonylContact O-C 3.57Å; W283-A286 WeakPolarHBondContact O-CB 3.49Å; W283-A286 PolarHBondContact O-N 2.93Å; W283-V287 HydrophobicContact CD2-CG2 3.82Å; W283-V287 HydrophobicContact CE3-CG2 3.97Å; W283-V287 HydrophobicContact CH2-CG2 3.71Å; W283-V287 HydrophobicContact CZ2-CG2 3.56Å; W283-V287 HydrophobicContact CZ3-CG2 3.91Å; W283-V287 VanDerWaalsContact O-CG2 3.29Å; W283-V287 WeakPolarHBondContact O-CG2 3.4Å; W283-V287 PolarHBondContact O-N 3.49Å
284	L	63.3	Low	69.5	Low	13 Å²	13	91 Å²	91	7%	0.068	45%	0.45	C	S	.	.	H	α-helix	trans	-71.7	-32.6	178.4	-73.3	167.8	0	0	0	113.1	R280 I281 S282 A286 V287 R288 V298 M301 L302	R280-L284 VanDerWaalsContact O-CB 3.27Å; R280-L284 WeakPolarHBondContact O-CB 3.25Å; R280-L284 WeakPolarHBondContact O-CD1 3.33Å; R280-L284 VanDerWaalsContact O-CG 3.25Å; R280-L284 WeakPolarHBondContact O-CG 3.14Å; R280-L284 PolarHBondContact O-N 2.84Å; I281-L284 PolarHBondContact O-N 3.43Å; S282-L284 VanDerWaalsContact C-N 3.35Å; S282-L284 PolarHBondContact O-N 2.99Å; L284-A286 VanDerWaalsContact C-N 3.3Å; L284-V287 PolarHBondContact O-N 3.48Å; L284-R288 WeakPolarHBondContact O-CB 3.4Å; L284-R288 PolarHBondContact O-N 2.84Å; L284-V298 HydrophobicContact CB-CG1 4.29Å; L284-M301 HydrophobicContact CD2-CE 4.35Å; L284-L302 HydrophobicContact CD1-CD1 3.47Å; L284-L302 VanDerWaalsContact CD1-CD1 3.47Å; L284-L302 HydrophobicContact CD1-CD2 3.11Å; L284-L302 HydrophobicContact CD1-CG 3.28Å
285	A	67.2	Low	69.9	Low	44 Å²	44	88.6 Å²	88.6	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-61.5	-43.6	169.1	0	0	0	0	0	109.9	I281 S282 R288 I289	I281-A285 WeakPolarHBondContact O-CB 3.36Å; I281-A285 PolarHBondContact O-N 3.45Å; S282-A285 PolarHBondContact O-N 3.23Å; A285-R288 PolarHBondContact O-N 2.97Å; A285-I289 WeakPolarHBondContact O-CB 3.29Å; A285-I289 WeakPolarHBondContact O-CD1 3.34Å; A285-I289 WeakPolarHBondContact O-CG1 3.12Å; A285-I289 PolarHBondContact O-N 2.6Å
286	A	71	Confident	70.8	Confident	55 Å²	55	87.1 Å²	87.1	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-42.3	174.3	0	0	0	0	0	112.6	S282 W283 L284 I289 R290	S282-A286 WeakPolarHBondContact O-CB 3.43Å; S282-A286 PolarHBondContact O-N 3.23Å; W283-A286 CarbonylContact O-C 3.57Å; W283-A286 WeakPolarHBondContact O-CB 3.49Å; W283-A286 PolarHBondContact O-N 2.93Å; L284-A286 VanDerWaalsContact C-N 3.3Å; A286-I289 PolarHBondContact O-N 3.37Å; A286-R290 WeakPolarHBondContact O-CB 3.21Å; A286-R290 PolarHBondContact O-N 2.92Å
287	V	69.1	Low	71.7	Confident	21 Å²	21	90.1 Å²	90.1	13%	0.127	45%	0.451	C	S	.	.	H	α-helix	trans	-64.2	-43.7	174.8	171.8	0	0	0	0	110.9	W283 L284 I289 R290 H291 L293	W283-V287 HydrophobicContact CD2-CG2 3.82Å; W283-V287 HydrophobicContact CE3-CG2 3.97Å; W283-V287 HydrophobicContact CH2-CG2 3.71Å; W283-V287 HydrophobicContact CZ2-CG2 3.56Å; W283-V287 HydrophobicContact CZ3-CG2 3.91Å; W283-V287 VanDerWaalsContact O-CG2 3.29Å; W283-V287 WeakPolarHBondContact O-CG2 3.4Å; W283-V287 PolarHBondContact O-N 3.49Å; L284-V287 PolarHBondContact O-N 3.48Å; V287-I289 PolarHBondContact O-N 3.46Å; V287-R290 PolarHBondContact O-N 3.18Å; V287-H291 WeakPolarHBondContact O-CB 3.21Å; V287-H291 PolarHBondContact O-CD2 3.05Å; V287-H291 PolarHBondContact O-N 3.18Å; V287-L293 HydrophobicContact CG1-CD1 3.89Å
288	R	73.2	Confident	72.2	Confident	102 Å²	102	86.7 Å²	86.7	39%	0.385	43%	0.433	S	S	.	.	H	α-helix	trans	-58.7	-46.7	176.9	-174.8	-169.9	166.9	-161.8	-8.6	111	L284 A285 K292 L293 V298	L284-R288 WeakPolarHBondContact O-CB 3.4Å; L284-R288 PolarHBondContact O-N 2.84Å; A285-R288 PolarHBondContact O-N 2.97Å; R288-K292 CarbonylContact O-C 3.55Å; R288-K292 WeakPolarHBondContact O-CA 3.5Å; R288-K292 PolarHBondContact O-N 3.48Å; R288-L293 HydrophobicContact CG-CB 4.23Å; R288-L293 WeakPolarHBondContact CG-O 3.39Å; R288-L293 PolarHBondContact NE-O 3.38Å; R288-L293 PolarHBondContact O-N 3.5Å; R288-V298 HydrophobicContact CB-CG2 3.88Å; R288-V298 HydrophobicContact CG-CG2 3.84Å
289	I	73.9	Confident	72.9	Confident	135 Å²	135	84.9 Å²	84.9	69%	0.692	42%	0.421	S	S	*	.	H	α-helix	trans	-64	-48.5	176.1	-68.7	164.2	0	0	0	110.2	A285 A286 V287 H291	A285-I289 WeakPolarHBondContact O-CB 3.29Å; A285-I289 WeakPolarHBondContact O-CD1 3.34Å; A285-I289 WeakPolarHBondContact O-CG1 3.12Å; A285-I289 PolarHBondContact O-N 2.6Å; A286-I289 PolarHBondContact O-N 3.37Å; V287-I289 PolarHBondContact O-N 3.46Å; I289-H291 PolarHBondContact O-N 3.45Å
290	R	76.9	Confident	73.7	Confident	208 Å²	208	87.7 Å²	87.7	79%	0.785	43%	0.431	S	S	*	.	H	α-helix	trans	-65.5	-39.7	-175.6	-174.1	175.6	-173.8	166.1	1.6	113.3	A286 V287	A286-R290 WeakPolarHBondContact O-CB 3.21Å; A286-R290 PolarHBondContact O-N 2.92Å; V287-R290 PolarHBondContact O-N 3.18Å
291	H	82.8	Confident	74.1	Confident	123 Å²	123	87.2 Å²	87.2	57%	0.569	44%	0.435	S	S	*	.	H	α-helix	trans	-105.2	6.8	-175.5	-66.7	-80.2	0	0	0	113.5	V287 I289 L293	V287-H291 WeakPolarHBondContact O-CB 3.21Å; V287-H291 PolarHBondContact O-CD2 3.05Å; V287-H291 PolarHBondContact O-N 3.18Å; I289-H291 PolarHBondContact O-N 3.45Å; H291-L293 HydrophobicContact CB-CD1 4.47Å; H291-L293 HydrophobicContact CB-CD2 4.46Å; H291-L293 HydrophobicContact CB-CG 4.04Å; H291-L293 PolarHBondContact O-N 2.74Å
292	K	81.3	Confident	74.1	Confident	192 Å²	192	84.9 Å²	84.9	84%	0.835	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.1	-178	-60.1	-175.6	178.5	-179.1	0	113.4	R288	R288-K292 CarbonylContact O-C 3.55Å; R288-K292 WeakPolarHBondContact O-CA 3.5Å; R288-K292 PolarHBondContact O-N 3.48Å
293	L	81.6	Confident	74.3	Confident	38 Å²	38	84.7 Å²	84.7	20%	0.199	43%	0.434	C	S	.	.			trans	-70.7	142.9	177.7	-59.5	172	0	0	0	110.6	V287 R288 H291 E297 V298 M301	V287-L293 HydrophobicContact CG1-CD1 3.89Å; R288-L293 HydrophobicContact CG-CB 4.23Å; R288-L293 WeakPolarHBondContact CG-O 3.39Å; R288-L293 PolarHBondContact NE-O 3.38Å; R288-L293 PolarHBondContact O-N 3.5Å; H291-L293 HydrophobicContact CB-CD1 4.47Å; H291-L293 HydrophobicContact CB-CD2 4.46Å; H291-L293 HydrophobicContact CB-CG 4.04Å; H291-L293 PolarHBondContact O-N 2.74Å; L293-E297 WeakPolarHBondContact CA-OE2 3.39Å; L293-E297 HydrophobicContact CB-CB 4.19Å; L293-E297 HydrophobicContact CD2-CB 4.29Å; L293-V298 HydrophobicContact CB-CG2 4.13Å; L293-M301 HydrophobicContact CD1-SD 3.94Å
294	S	84.3	Confident	74.5	Confident	54 Å²	54	79.6 Å²	79.6	38%	0.378	42%	0.418	S	S	.	.			trans	-69.3	158.6	167.3	67	0	0	0	0	111.3	A296 E297 V298	S294-A296 PolarHBondContact O-N 3.35Å; S294-E297 WeakPolarHBondContact CB-OE2 3.2Å; S294-E297 PolarHBondContact N-OE2 3.35Å; S294-E297 PolarHBondContact O-N 2.81Å; S294-E297 WeakPolarHBondContact OG-CG 3.19Å; S294-E297 PolarHBondContact OG-N 3.21Å; S294-E297 PolarHBondContact OG-OE2 2.74Å; S294-V298 PolarHBondContact O-N 3.47Å; S294-V298 VanDerWaalsContact O-N 3.15Å
295	L	77.8	Confident	75.1	Confident	44 Å²	44	81.9 Å²	81.9	23%	0.23	44%	0.436	C	S	.	.	H	α-helix	trans	-59.3	-31.1	171.9	-81	171.2	0	0	0	112.2	V298 S299 I306 L309 K310	L295-V298 PolarHBondContact O-N 3.38Å; L295-S299 WeakPolarHBondContact O-CB 3.46Å; L295-S299 PolarHBondContact O-N 3.47Å; L295-I306 HydrophobicContact CB-CG2 4.32Å; L295-L309 HydrophobicContact CD2-CB 4.29Å; L295-K310 HydrophobicContact CD1-CG 4.36Å
296	A	83	Confident	75.5	Confident	55 Å²	55	83 Å²	83	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-41.3	177.2	0	0	0	0	0	111.8	S294 S299 K300 I306	S294-A296 PolarHBondContact O-N 3.35Å; A296-S299 PolarHBondContact O-N 3.33Å; A296-K300 WeakPolarHBondContact O-CB 3.36Å; A296-K300 PolarHBondContact O-N 3.17Å; A296-I306 HydrophobicContact CB-CD1 4.22Å
297	E	80.4	Confident	75.6	Confident	90 Å²	90	86.5 Å²	86.5	42%	0.421	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175.3	-73.8	162.2	126	0	0	111.4	L293 S294 K300 M301	L293-E297 WeakPolarHBondContact CA-OE2 3.39Å; L293-E297 HydrophobicContact CB-CB 4.19Å; L293-E297 HydrophobicContact CD2-CB 4.29Å; S294-E297 WeakPolarHBondContact CB-OE2 3.2Å; S294-E297 PolarHBondContact N-OE2 3.35Å; S294-E297 PolarHBondContact O-N 2.81Å; S294-E297 WeakPolarHBondContact OG-CG 3.19Å; S294-E297 PolarHBondContact OG-N 3.21Å; S294-E297 PolarHBondContact OG-OE2 2.74Å; E297-K300 PolarHBondContact O-N 2.93Å; E297-M301 VanDerWaalsContact O-CG 3.28Å; E297-M301 WeakPolarHBondContact O-CG 3.09Å; E297-M301 PolarHBondContact O-N 3.33Å
298	V	72.6	Confident	75.5	Confident	6 Å²	6	89.4 Å²	89.4	4%	0.036	47%	0.467	C	S	.	.	H	α-helix	trans	-64.6	-42.1	176.8	178.4	0	0	0	0	111.5	L284 R288 L293 S294 L295 K300 M301 L302 L309	L284-V298 HydrophobicContact CB-CG1 4.29Å; R288-V298 HydrophobicContact CB-CG2 3.88Å; R288-V298 HydrophobicContact CG-CG2 3.84Å; L293-V298 HydrophobicContact CB-CG2 4.13Å; S294-V298 PolarHBondContact O-N 3.47Å; S294-V298 VanDerWaalsContact O-N 3.15Å; L295-V298 PolarHBondContact O-N 3.38Å; V298-K300 PolarHBondContact O-N 3.15Å; V298-M301 PolarHBondContact O-N 3.16Å; V298-L302 HydrophobicContact CG1-CD1 3.93Å; V298-L302 WeakPolarHBondContact O-CB 3.44Å; V298-L302 PolarHBondContact O-N 3.24Å; V298-L309 HydrophobicContact CB-CD1 4.48Å; V298-L309 HydrophobicContact CG1-CD1 4.09Å; V298-L309 HydrophobicContact CG1-CD2 4.18Å
299	S	73.6	Confident	75.1	Confident	21 Å²	21	86.4 Å²	86.4	15%	0.147	46%	0.459	C	S	.	.	H	α-helix	trans	-57.6	-46.4	174.3	173	0	0	0	0	111.8	L295 A296 M301 L302 G303 I304 L309	L295-S299 WeakPolarHBondContact O-CB 3.46Å; L295-S299 PolarHBondContact O-N 3.47Å; A296-S299 PolarHBondContact O-N 3.33Å; S299-M301 PolarHBondContact O-N 3.41Å; S299-L302 PolarHBondContact O-N 3.06Å; S299-G303 PolarHBondContact O-N 2.82Å; S299-I304 WeakPolarHBondContact CA-O 3.2Å; S299-I304 WeakPolarHBondContact CB-O 3.45Å; S299-I304 PolarHBondContact O-N 3.45Å; S299-I304 PolarHBondContact OG-O 2.86Å; S299-L309 VanDerWaalsContact CA-CD1 3.46Å
300	K	79.4	Confident	74.6	Confident	188 Å²	188	89.6 Å²	89.6	82%	0.817	47%	0.467	S	S	*	.	H	α-helix	trans	-63.9	-39.4	176.1	-171.1	178.5	-179	-179.7	0	112.5	A296 E297 V298 L302	A296-K300 WeakPolarHBondContact O-CB 3.36Å; A296-K300 PolarHBondContact O-N 3.17Å; E297-K300 PolarHBondContact O-N 2.93Å; V298-K300 PolarHBondContact O-N 3.15Å; K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 2.92Å
301	M	70.4	Confident	74.5	Confident	111 Å²	111	83.7 Å²	83.7	55%	0.547	45%	0.451	S	S	.	.	H	α-helix	trans	-66.4	-30.2	176.4	-72.6	177.5	74.1	0	0	112.9	L284 L293 E297 V298 S299	L284-M301 HydrophobicContact CD2-CE 4.35Å; L293-M301 HydrophobicContact CD1-SD 3.94Å; E297-M301 VanDerWaalsContact O-CG 3.28Å; E297-M301 WeakPolarHBondContact O-CG 3.09Å; E297-M301 PolarHBondContact O-N 3.33Å; V298-M301 PolarHBondContact O-N 3.16Å; S299-M301 PolarHBondContact O-N 3.41Å
302	L	63.9	Low	74.1	Confident	39 Å²	39	81.6 Å²	81.6	20%	0.204	45%	0.445	C	S	.	.	H	α-helix	trans	-91.9	-22.5	-177	-83.4	173.7	0	0	0	114.8	L284 V298 S299 K300 I304 L309	L284-L302 HydrophobicContact CD1-CD1 3.47Å; L284-L302 VanDerWaalsContact CD1-CD1 3.47Å; L284-L302 HydrophobicContact CD1-CD2 3.11Å; L284-L302 HydrophobicContact CD1-CG 3.28Å; V298-L302 HydrophobicContact CG1-CD1 3.93Å; V298-L302 WeakPolarHBondContact O-CB 3.44Å; V298-L302 PolarHBondContact O-N 3.24Å; S299-L302 PolarHBondContact O-N 3.06Å; K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 2.92Å; L302-I304 HydrophobicContact CB-CB 3.94Å; L302-I304 HydrophobicContact CB-CD1 4.04Å; L302-I304 HydrophobicContact CB-CG1 3.97Å; L302-I304 HydrophobicContact CD1-CD1 4.3Å; L302-I304 HydrophobicContact CD2-CD1 4.25Å; L302-I304 HydrophobicContact CG-CD1 4.46Å; L302-I304 PolarHBondContact O-N 3.48Å; L302-L309 HydrophobicContact CD1-CD1 4.24Å; L302-L309 HydrophobicContact CD1-CD2 3.43Å; L302-L309 VanDerWaalsContact CD1-CD2 3.43Å; L302-L309 HydrophobicContact CD1-CG 4.31Å
303	G	69.9	Low	73.7	Confident	76 Å²	76	75.4 Å²	75.4	78%	0.784	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	25.1	-166.3	0	0	0	0	0	112.6	S299	S299-G303 PolarHBondContact O-N 2.82Å
304	I	69.4	Low	73.2	Confident	56 Å²	56	77.6 Å²	77.6	29%	0.287	44%	0.437	S	S	.	.			trans	-118.4	141.3	-176.5	-65.2	174.2	0	0	0	108.7	S299 L302 S308	S299-I304 WeakPolarHBondContact CA-O 3.2Å; S299-I304 WeakPolarHBondContact CB-O 3.45Å; S299-I304 PolarHBondContact O-N 3.45Å; S299-I304 PolarHBondContact OG-O 2.86Å; L302-I304 HydrophobicContact CB-CB 3.94Å; L302-I304 HydrophobicContact CB-CD1 4.04Å; L302-I304 HydrophobicContact CB-CG1 3.97Å; L302-I304 HydrophobicContact CD1-CD1 4.3Å; L302-I304 HydrophobicContact CD2-CD1 4.25Å; L302-I304 HydrophobicContact CG-CD1 4.46Å; L302-I304 PolarHBondContact O-N 3.48Å; I304-S308 VanDerWaalsContact CG2-CB 3.41Å
305	S	75.7	Confident	72.5	Confident	62 Å²	62	79.1 Å²	79.1	43%	0.434	44%	0.44	S	S	.	.			trans	-58.7	146.7	179.2	87.9	0	0	0	0	112	N307 S308 L309	S305-N307 PolarHBondContact O-N 3.27Å; S305-N307 PolarHBondContact OG-N 3.46Å; S305-S308 PolarHBondContact O-N 2.86Å; S305-S308 PolarHBondContact OG-N 2.92Å; S305-S308 PolarHBondContact OG-OG 2.7Å; S305-L309 PolarHBondContact O-N 3.47Å
306	I	74.5	Confident	72.2	Confident	68 Å²	68	81.5 Å²	81.5	35%	0.349	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-57.1	-32.3	175.6	-65.8	173.6	0	0	0	111.3	L295 A296 S308 L309 K310	L295-I306 HydrophobicContact CB-CG2 4.32Å; A296-I306 HydrophobicContact CB-CD1 4.22Å; I306-S308 VanDerWaalsContact C-N 3.32Å; I306-S308 PolarHBondContact O-N 3.21Å; I306-L309 PolarHBondContact O-N 2.75Å; I306-L309 VanDerWaalsContact O-N 3.16Å; I306-K310 PolarHBondContact O-N 3.28Å
307	N	74.8	Confident	71.4	Confident	127 Å²	127	83.4 Å²	83.4	68%	0.679	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-67.2	-32.8	178.4	-74.3	-12.9	0	0	0	112.7	S305 L309	S305-N307 PolarHBondContact O-N 3.27Å; S305-N307 PolarHBondContact OG-N 3.46Å; N307-L309 PolarHBondContact O-N 3.48Å
308	S	65.5	Low	70.7	Confident	83 Å²	83	82.8 Å²	82.8	58%	0.58	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-76.9	-9.1	175.7	-49.6	0	0	0	0	113	I304 S305 I306	I304-S308 VanDerWaalsContact CG2-CB 3.41Å; S305-S308 PolarHBondContact O-N 2.86Å; S305-S308 PolarHBondContact OG-N 2.92Å; S305-S308 PolarHBondContact OG-OG 2.7Å; I306-S308 VanDerWaalsContact C-N 3.32Å; I306-S308 PolarHBondContact O-N 3.21Å
309	L	65.1	Low	70.6	Confident	39 Å²	39	89.3 Å²	89.3	20%	0.204	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-98.6	-15.6	177.4	-77.9	167.2	0	0	0	114.4	L295 V298 S299 L302 S305 I306 N307	L295-L309 HydrophobicContact CD2-CB 4.29Å; V298-L309 HydrophobicContact CB-CD1 4.48Å; V298-L309 HydrophobicContact CG1-CD1 4.09Å; V298-L309 HydrophobicContact CG1-CD2 4.18Å; S299-L309 VanDerWaalsContact CA-CD1 3.46Å; L302-L309 HydrophobicContact CD1-CD1 4.24Å; L302-L309 HydrophobicContact CD1-CD2 3.43Å; L302-L309 VanDerWaalsContact CD1-CD2 3.43Å; L302-L309 HydrophobicContact CD1-CG 4.31Å; S305-L309 PolarHBondContact O-N 3.47Å; I306-L309 PolarHBondContact O-N 2.75Å; I306-L309 VanDerWaalsContact O-N 3.16Å; N307-L309 PolarHBondContact O-N 3.48Å
310	K	64.6	Low	70.3	Confident	201 Å²	201	95.5 Å²	95.5	87%	0.874	52%	0.524	S	S	*	.			trans	-81.9	0	175	-75	-177.9	178	177.9	0	109.9	L295 I306	L295-K310 HydrophobicContact CD1-CG 4.36Å; I306-K310 PolarHBondContact O-N 3.28Å

Retrieved 310 of 310 residues in 83.6 ms (Link to these results)

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